National Library of Energy BETA

Sample records for ti ng ph

  1. Blue Ng | Open Energy Information

    Open Energy Info (EERE)

    Ng Jump to: navigation, search Name: Blue-Ng Place: Bath, United Kingdom Zip: BA1 1SR Sector: Biomass Product: UK-based company that constructs and operates combined heat and...

  2. Visible light absorption of TiO{sub 2} materials impregnated with tungstophosphoric acid ethanol–aqueous solution at different pH values. Evidence about the formation of a surface complex between Keggin anion and TiO{sub 2} surfaces

    SciTech Connect (OSTI)

    Rengifo-Herrera, Julián A. Blanco, Mirta N.; Pizzio, Luis R.

    2014-01-01

    Graphical abstract: - Highlights: • TPA impregnation on TiO{sub 2} particles was done at different initial pH values. • Powders characterization evidenced the possible existence of TPA–TiO{sub 2} complexes. • Keggin anion complexed on TiO{sub 2} would be responsible of visible light absorption. - Abstract: TiO{sub 2} particles prepared by the sol–gel method were impregnated at different pH values (1.0, 2.0, 5.0 and 10.0) with a water–ethanol solution (50% V/V) of tungstophosphoric acid (TPA) (0.012 M). Similar preparation was carried out to synthesize TiO{sub 2} impregnated with [WO{sub 4}]{sup 2−} (TiW). These materials were characterized by different techniques such as UV–vis diffuse reflectance spectroscopy (UV–vis DRS), magic angle spinning nuclear magnetic resonance of {sup 31}P ({sup 31}P MAS NMR), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Fourier transform Raman spectroscopy (FT-Raman). Results revealed that TPA–TiO{sub 2} materials exhibit visible light absorption only when impregnation was done at pH 1.0 (TiTPA1) and 2.0 (TiTPA2). TiW powder did not show visible light absorption. XRD patterns show the presence of peaks at 2θ = 25.4° (1 0 1), 37.9° (0 0 4), 47.8° (2 0 0) and 54.3° associated to the anatase phase. Solid NMR, FT-IR and FT-Raman characterization showed that TiTPA1 and TiTPA2 samples contain Keggin ([PW{sub 12}O{sub 40}]{sup 3−}) and lacunary anions ([PW{sub 11}O{sub 39}]{sup 7−}) respectively. On the other hand, FT-Raman results revealed a blue shifting and broadening of the band at 141 cm{sup −1} corresponding to anatase TiO{sub 2} and moreover, a broadening of bands at 900–1100 cm{sup −1} attributed to Keggin structures of TPA. Both spectral changes could be related to the formation of a surface complex between the Keggin anion of TPA and TiO{sub 2} surfaces. This interaction should be responsible for visible light absorption.

  3. PVT-NG sensor final report.

    SciTech Connect (OSTI)

    Mitchell, Dean James; Brusseau, Charles A.

    2012-01-01

    This document is a final report for the polyvinyl toluene (PVT) neutron-gamma (PVT-NG) project, which was sponsored by the Domestic Nuclear Detection Office (DNDO). The PVT-NG sensor uses PVT detectors for both gamma and neutron detection. The sensor exhibits excellent spectral resolution and gain stabilization, which are features that are beneficial for detection of both gamma-ray and neutron sources. In fact, the ability to perform isotope identification based on spectra that were measured by the PVT-NG sensor was demonstrated. As described in a previous report, the neutron sensitivity of the first version of the prototype was about 25% less than the DNDO requirement of 2.5 cps/ng for bare Cf-252. This document describes design modifications that were expected to improve the neutron sensitivity by about 50% relative to the PVT-NG prototype. However, the project was terminated before execution of the design modifications after portal vendors demonstrated other technologies that enable neutron detection without the use of He-3. Nevertheless, the PVT-NG sensor development demonstrated several performance goals that may be useful in future portal designs.

  4. Test Report for NG Sensors GTX-1000.

    SciTech Connect (OSTI)

    Manginell, Ronald P.

    2015-02-01

    This report describes initial testing of the NG Sensor GTX-1000 natural gas monitoring system. This testing showed that the retention time, peak area stability and heating value repeatability of the GTX-1000 were promising for natural gas measurements in the field or at the well head. The repeatability can be less than 0.25% for LHV and HHV for the Airgas standard tested in this report, which is very promising for a first generation prototype. Ultimately this system should be capable of 0.1% repeatability in heating value at significant size and power reductions compared with competing systems.

  5. DOE/AMO NG Infrastructure R & D & Methane emissions Mitigation...

    Office of Environmental Management (EM)

    emission rates NYSEARCH RFP issued on 11314 for PhII controlled testing 5 small Unmanned Aerial System (sUAS) Application Development 6 Objectives Confirm FAA ...

  6. Detec%ng the Onset of Drizzle Using ARM

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

    Detec%ng the Onset of Drizzle Using ARM Observa%ons and a Steady-State 1-D Column Model PAVLOS KOLLIAS HAIYANG YU ANDREW LESAGE JINGJING TIAN ANDREW DZAMBO MIKAEL WITTE Outline * Mo%va%ons * Methods * Modeling the onset of drizzle * Observa%ons of drizzle onset * "Synergy" of Results * Conclusions Low, Drizzling Clouds * Near-surface radia%ve proper%es (e.g. scaWering, absorp%on, cloud "morphology"). * Drizzle affects aerosols' in/direct radia%ve effects. * Classic

  7. NEW ENGLAND NG SUPPLY LIMITED- FE Dkt. 16-103-NG- FOR LONG TERM AUTHORIZATION TO EXPORT NATURAL GAS TO CANADA

    Broader source: Energy.gov [DOE]

    The Office of Fossil Energy gives notice of receipt of an Application filed August 3, 2016 by New England NG Supply Limited (New England), requesting long-term authorization to export natural gas...

  8. FPDS-NG Change Management Notice for the Oklahoma Tornado and Storm

    Broader source: Energy.gov [DOE]

    A new National Interest Action value for the 'Oklahoma Tornado and Storm 2013' has been added to the FPDS-NG Production system.

  9. McPhD

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

    is a research code designed to explore the applications of the Haskell programming language to Monte Carlo algorithms. June 29, 2013 software McPhD is a research code designed...

  10. C W L WHALEN-SHAW, Ph.D,

    Office of Scientific and Technical Information (OSTI)

    k C W L WHALEN-SHAW, Ph.D, t 7041 Zane Trail Road Circleville, Ohio 431 13 (614) 474-1129 ... 2. The layered pigment containing 30% Ti02 and 70% l-clay yields a 79:2 brightness. ...

  11. Next Generation * Natural Gas (NG)2 Information Requirements--Executive Summary

    Reports and Publications (EIA)

    2000-01-01

    The Energy Information Administration (EIA) has initiated the Next Generation * Natural Gas (NG)2 project to design and implement a new and comprehensive information program for natural gas to meet customer requirements in the post-2000 time frame.

  12. pH optrode

    DOE Patents [OSTI]

    Northrup, M. Allen; Langry, Kevin C.

    1993-01-01

    A process is provided for forming a long-lasting, stable, pH-sensitive dye-acrylamide copolymer useful as a pH-sensitive material for use in an optrode or other device sensitive to pH. An optrode may be made by mechanically attaching the copolymer to a sensing device such as an optical fiber.

  13. Preparation and lithium intercalation behavior of TiO{sub 2} in aqueous solutions

    SciTech Connect (OSTI)

    Li, Yunjiao, E-mail: yunjiaoli6601@hotmail.com; Li, Lin; Chen, Lingpeng; Wang, Xuanyu; Xu, Cang

    2014-04-01

    Highlights: The poor crystalline anatase phase or amorphous TiO{sub 2} was prepared by TiCl{sub 4} hydrolysis under different pH conditions. Phase transition behavior and lithium intercalation ability of the obtained TiO{sub 2} were found to be related to TiO{sub 2} property. The results indicate that TiO{sub 2} products obtained from TiCl{sub 4} hydrolysis at lower pH are favorable for lithium intercalation. - Abstract: The low crystalline or amorphous TiO{sub 2} was prepared by TiCl{sub 4} hydrolysis in aqueous solutions under different pH conditions at 45 C. The products obtained at lower pH (1.233.10) appear to be nano-sized particles with poor crystalline anatase structure and an uniform particle size distribution, while the product prepared at pH 4.10 presents in a poor crystalline anatase structure and the regular morphology starts to disappear, and the products obtained at higher pH (>6.00) are amorphous and irregular morphology. The hydrolysis products obtained at pH 2.60 and 8.80 were heat-treated at 300, 400, 600, 700 and 800 C for 3 h, respectively, to figure out the phase transition. The differences in phase transition process were observed, which verified the properties difference. The lithium intercalation abilities of the obtained TiO{sub 2} were studied. The results indicated that the TiO{sub 2} obtained at lower pH are more favorable for lithium intercalation and are better precursors.

  14. Philosophy\tof\tNetwork\tOpera3ng Systems\tand\tIntent\tAPIs Inder...

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

    and development * Scrip3ng interface, Python programming model * Focus on Intent APIs as ... Policy as a Service, uses SQL Policy Language, Interfaces to OpenStack modules * ...

  15. DOE/AMO NG Infrastructure R & D & Methane emissions Mitigation workshop

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

    Proprietary and Confidential to NYSEARCH/NGA DOE/AMO NG INFRASTRUCTURE R & D & METHANE EMISSIONS MITIGATION WORKSHOP November 2014 David Merte & Daphne D'Zurko, NYSEARCH/NGA dmerte@northeastgas.org ddzurko@northeastgas.org NYSEARCH 2 NYSEARCH Program Research Areas * Improved Installation, Maintenance & Repair * Pipeline Integrity/Direct & Remote Assessment * Pipe Location * Leak Detection * Real-time Sensing and Inspection for Distribution * Environment/Reducing Greenhouse

  16. Summer Ferreira, Ph.D.

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

    Ferreira, Ph.D. - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear

  17. A=17C (1993TI07)

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

    93TI07) (See the Isobar Diagram for 17C) The atomic mass excess given by (1988WA18) for 17C is 21035 ± 17 keV. See also (1986AN07). 17C is then stable with respect to 16C + n by 0.73 MeV. Eβ- (max) to 17Ng.s. = 13.16 MeV. See also (1986BI1A). The half-life of 17C has been measured to be 202 ± 17 msec (1986CU01), 220 ± 80 msec (1986DU07), 180 ± 31 msec (1988SA04), and 174 ± 31 msec (1991RE02). Relative intensities of β-delayed gammas were measured by (1986DU07, 1986HU1A, 1986JEZY) [see

  18. Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng = Kr and Xe)

    SciTech Connect (OSTI)

    Kalinowski, Jaroslaw; Rsnen, Markku; Lignell, Antti; Khriachtchev, Leonid; Gerber, R. Benny; Department of Physical Chemistry, Hebrew University, Jerusalem 91904, Israel and Department of Chemistry, University of California, Irvine, California 92697

    2014-03-07

    We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H?Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H?Xe stretching frequencies of HXeCl in different matrices is ?(Ne) < ?(Xe) < ?(Kr) < ?(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the classical order observed for HCl: ?(Xe) < ?(Kr) < ?(Ar) < ?(Ne). The order of the H?Kr stretching frequencies of HKrCl is consistently ?(Kr) < ?(Ar). These matrix effects are analyzed theoretically by using a number of quantum chemical methods. The calculations on these molecules (HCl, HXeCl, and HKrCl) embedded in single Ng{sup ?} layer cages lead to very satisfactory results with respect to the relative matrix shifts in the case of the MP4(SDQ) method whereas the B3LYP-D and MP2 methods fail to fully reproduce these experimental results. The obtained order of frequencies is discussed in terms of the size available for the Ng hydrides in the cages, probably leading to different stresses on the embedded molecule. Taking into account vibrational anharmonicity produces a good agreement of the MP4(SDQ) frequencies of HCl and HXeCl with the experimental values in different matrices. This work also highlights a number of open questions in the field.

  19. Enhancing solar photocatalytic detoxification by adsorption of porphyrins onto TiO sub 2

    SciTech Connect (OSTI)

    Majumder, S.A.; Ondrias, M.R. . Dept. of Chemistry); Prairie, M.R.; Shelnutt, J.A. )

    1991-01-01

    Titanium dioxide (TiO{sub 2}) is a known photocatalyst for solar detoxification of water containing organic contaminants including PCB's and dioxins. Unfortunately, the UV light used by the photocatalyst only comprises about 4% of the strong spectrum. Metalloporphyrins strongly absorb in the visible and near infrared region. Using visible light, we have investigated Ni(II) uroporphyrin (NiUroP), Sn(IV)Cl{sub 2} uroporphyrin (SnUroP) and Sn(IV)Cl{sub 2} tetrakis(p-carboxyphenyl) porphyrin (SnTCPP) as possible enhancers of destruction of a model organic compound, salicylic acid (SA), by means of photosensitization of colloidal TiO{sub 2} particles. All three porphyrins are found to adsorb reversibly onto the colloidal TiO{sub 2} upon variation of pH. Adsorption of porphyrins results in the increased colloidal stability of fine TiO{sub 2} particles in the pH range 5--8. While NiUroP on TiO{sub 2} does not show any enhancement of photodestruction, the adsorption of SnUroP increases the destruction rate compared to that of the bare TiO{sub 2} surface. The effect of ambient oxygen on the observed photolability of the Sn porphyrins and enhancement of photodestruction of SA was also investigated. SnTCPP does not photodecompose upon illumination either in the presence or absence of TiO{sub 2}, but neither does it bind to the photocatalyst at pH 6. At pH 4.5 it adsorbs onto TiO{sub 2} but it also photodecompose at this pH. We are attempting to stabilize the adsorbed porphyrins by adding suitable peripheral substituents onto the porphyrin macrocycle. 27 refs., 6 figs.

  20. Design of highly ordered Ag-SrTiO{sub 3} nanotube arrays for photocatalytic degradation of methyl orange

    SciTech Connect (OSTI)

    Sun Yue; Liu Jiawen; Li Zhonghua

    2011-08-15

    Ag-SrTiO{sub 3} nanotube arrays were successfully prepared for the degradation of methyl orange (MO) under ultraviolet irradiation. In order to form highly ordered SrTiO{sub 3} nanotube arrays, the preparation of TiO{sub 2} nanotube arrays by anodic oxidation of titanium foil in different electrolytes was investigated. The selected organic solvents in electrolytes include glycerol, dimethyl sulfoxide and glycol. The results indicate that the morphology of TiO{sub 2} nanotube arrays prepared in glycol containing ammonium fluoride electrolyte is more regular. Then SrTiO{sub 3} nanotube arrays were synthesized by a hydrothermal method using TiO{sub 2} nanotube arrays as the precursor. In order to further improve the photocatalytic activity of SrTiO{sub 3} nanotube arrays, Ag nanoparticles were loaded on SrTiO{sub 3} nanotube arrays by two sets of experiments. The loaded Ag results in an enhancement of photocatalytic activity of SrTiO{sub 3} nanotube arrays. Moreover, the effect of pH on the photocatalytic degradation of MO was also studied. - Graphical abstract: Ag-SrTiO{sub 3} nanotube arrays were successfully prepared. The photocatalytic activity was evaluated by degradation of methyl orange under ultraviolet irradiation. Highlights: > TiO{sub 2} nanotube arrays prepared in glycol+NH{sub 4}F electrolyte are more regular. > Highly ordered Ag-SrTiO{sub 3} nanotube arrays were successfully synthesized. > Ag loading could enhance the photocatalytic activity of SrTiO{sub 3} nanotube arrays. > Ag-SrTiO{sub 3} nanotube arrays show excellent catalytic activity at a low pH value.

  1. A=16Al (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  2. A=16Mg (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  3. A=16Na (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  4. A=16Si (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  5. A=19Be (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  6. A=19He (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  7. A=19Li (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  8. Waterless TiO{sub 2} atomic layer deposition using titanium tetrachloride and titanium tetraisopropoxide

    SciTech Connect (OSTI)

    Anderson, Virginia R.; Cavanagh, Andrew S.; Abdulagatov, Aziz I.; Gibbs, Zachary M.; George, Steven M.

    2014-01-15

    The surface chemistry for TiO{sub 2} atomic layer deposition (ALD) typically utilizes water or other oxidants that can oxidize underlying substrates such as magnetic disks or semiconductors. To avoid this oxidation, waterless or oxidant-free surface chemistry can be used that involves titanium halides and titanium alkoxides. In this study, waterless TiO{sub 2} ALD was accomplished using titanium tetrachloride (TiCl{sub 4}) and titanium tetraisopropoxide (TTIP). In situ transmission Fourier transform infrared (FTIR) studies were employed to study the surface species and the reactions during waterless TiO{sub 2} ALD. At low temperatures between 125 and 225  °C, the FTIR absorbance spectra revealed that the isopropoxide species remained on the surface after TTIP exposures. The TiCl{sub 4} exposures then removed the isopropoxide species and deposited additional titanium species. At high temperatures between 250 and 300  °C, the isopropoxide species were converted to hydroxyl species by β-hydride elimination. The observation of propene gaseous reaction product by quadrupole mass spectrometry (QMS) confirmed the β-hydride elimination reaction pathway. The TiCl{sub 4} exposures then easily reacted with the hydroxyl species. QMS studies also observed the 2-chloropropane and HCl gaseous reaction products and monitored the self-limiting nature of the TTIP reaction. Additional studies examined the waterless TiO{sub 2} ALD growth at low and high temperature. Quartz crystal microbalance measurements observed growth rates of ∼3 ng/cm{sup 2} at a low temperature of 150  °C. Much higher growth rates of ∼15 ng/cm{sup 2} were measured at a higher temperature of 250  °C under similar reaction conditions. X-ray reflectivity analysis measured a growth rate of 0.55 ± 0.05 Å/cycle at 250  °C. X-ray photoelectron depth-profile studies showed that the TiO{sub 2} films contained low Cl concentrations <1 at. %. This waterless TiO{sub 2} ALD process

  9. pH Meter probe assembly

    DOE Patents [OSTI]

    Hale, Charles J.

    1983-01-01

    An assembly for mounting a pH probe in a flowing solution, such as a sanitary sewer line, which prevents the sensitive glass portion of the probe from becoming coated with grease, oil, and other contaminants, whereby the probe gives reliable pH indication over an extended period of time. The pH probe assembly utilizes a special filter media and a timed back-rinse feature for flushing clear surface contaminants of the filter. The flushing liquid is of a known pH and is utilized to check performance of the probe.

  10. pH Meter probe assembly

    DOE Patents [OSTI]

    Hale, C.J.

    1983-11-15

    An assembly for mounting a pH probe in a flowing solution, such as a sanitary sewer line, which prevents the sensitive glass portion of the probe from becoming coated with grease, oil, and other contaminants, whereby the probe gives reliable pH indication over an extended period of time. The pH probe assembly utilizes a special filter media and a timed back-rinse feature for flushing clear surface contaminants of the filter. The flushing liquid is of a known pH and is utilized to check performance of the probe. 1 fig.

  11. Nanocrystalline BaTiO3 powder via ambient conditions sol process (Prop.2001-071)

    SciTech Connect (OSTI)

    Payzant, E Andrew; Wang, X.; Hu, Michael Z.; Blom, Douglas Allen

    2005-01-01

    Nanocrystalline BaTiO{sub 3} particles have been prepared by ambient condition sol (ACS) process starting from soluble precursors of barium and titanium yielding a mixed oxide/hydroxide gel. The gel was peptized and crystallized in water under a refluxing condition. Higher initial pH and Ba/Ti ratio led to smaller crystallite sizes of BaTiO{sub 3} powders. Organic mineralizer, tetramethylammonium hydroxide (TMAH), can adsorb on the BaTiO{sub 3} nuclei and inhibited further growth of the particles. Adding a polymer during BaTiO{sub 3} synthesis led to a smaller particle size and increased redispersibility of the particles in water.

  12. Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA

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

    Hashimoto, Hideharu; Pais, June E.; Dai, Nan; Corrêa, Jr., Ivan R.; Zhang, Xing; Zheng, Yu; Cheng, Xiaodong

    2015-08-31

    The family of ten-eleven translocation (Tet) dioxygenases is widely distributed across the eukaryotic tree of life, from mammals to the amoeboflagellate Naegleria gruberi. Like mammalian Tet proteins, the Naegleria Tet-like protein, NgTet1, acts on 5-methylcytosine (5mC) and generates 5-hydroxymethylcytosine (5hmC), 5-formylcytosine (5fC) and 5-carboxylcytosine (5caC) in three consecutive, Fe(II)- and α-ketoglutarate-dependent oxidation reactions. The two intermediates, 5hmC and 5fC, could be considered either as the reaction product of the previous enzymatic cycle or the substrate for the next cycle. Here we present a new crystal structure of NgTet1 in complex with DNA containing a 5hmC. Along with the previously solvedmore » NgTet1–5mC structure, the two complexes offer a detailed picture of the active site at individual stages of the reaction cycle. In the crystal, the hydroxymethyl (OH-CH2-) moiety of 5hmC points to the metal center, representing the reaction product of 5mC hydroxylation. The hydroxyl oxygen atom could be rotated away from the metal center, to a hydrophobic pocket formed by Ala212, Val293 and Phe295. Such rotation turns the hydroxyl oxygen atom away from the product conformation, and exposes the target CH2 towards the metal-ligand water molecule, where a dioxygen O2 molecule would occupy to initiate the next round of reaction by abstracting a hydrogen atom from the substrate. The Ala212-to-Val (A212V) mutant profoundly limits the product to 5hmC, probably due to the reduced hydrophobic pocket size restricts the binding of 5hmC as a substrate.« less

  13. Determination Of Ph Including Hemoglobin Correction

    DOE Patents [OSTI]

    Maynard, John D.; Hendee, Shonn P.; Rohrscheib, Mark R.; Nunez, David; Alam, M. Kathleen; Franke, James E.; Kemeny, Gabor J.

    2005-09-13

    Methods and apparatuses of determining the pH of a sample. A method can comprise determining an infrared spectrum of the sample, and determining the hemoglobin concentration of the sample. The hemoglobin concentration and the infrared spectrum can then be used to determine the pH of the sample. In some embodiments, the hemoglobin concentration can be used to select an model relating infrared spectra to pH that is applicable at the determined hemoglobin concentration. In other embodiments, a model relating hemoglobin concentration and infrared spectra to pH can be used. An apparatus according to the present invention can comprise an illumination system, adapted to supply radiation to a sample; a collection system, adapted to collect radiation expressed from the sample responsive to the incident radiation; and an analysis system, adapted to relate information about the incident radiation, the expressed radiation, and the hemoglobin concentration of the sample to pH.

  14. N,N'-DICYCLOHEXYL-N"-ISOTRIDECYLGUANIDINE AS SUPPRESSOR FOR THE NEXT GENERATION CAUSTIC SIDE SOLVENT EXTRACTION (NG-CSSX) PROCESS

    SciTech Connect (OSTI)

    Duncan, Nathan C; Roach, Benjamin D; Williams, Neil J; Bonnesen, Peter V; Rajbanshi, Arbin; Moyer, Bruce A

    2012-01-01

    ABSTRACT The purity, concentration, and source of the N,N'-dicyclohexyl-N"-isotridecylguanidine (DCiTG) suppressor (guanidine) used in the NG-CSSX process were found to influence solvent performance. As the starting isotridecanol used in the preparation of DCiTG is comprised of a mixture of branched-chain aliphatic alcohols, varying in composition with manufacturer, the resulting DCiTG itself is a mixture. Thus, it is necessary to address how the solvent performance will be affected by the different preparations of the DCiTG solvent component. In this study, four preparations of DCiTG from three sources were analyzed and evaluated for purity and performance, both in the absence and presence of an anionic surfactant impurity.

  15. Adam Bratis, Ph.D. | Bioenergy | NREL

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

    Adam Bratis, Ph.D. Adam Bratis, Ph.D. Biofuels Program Manager Adam.Bratis@nrel.gov | 303-384-7852 Areas of Expertise Adam Bratis joined the National Renewable Energy Laboratory (NREL) in 2008. His role is to manage NREL's research and development efforts in support of the Department of Energy's mission in the biomass arena. This includes technical and managerial oversight in the areas of biochemical conversion, thermochemical conversion, algal biofuels, techno-economic and life-cycle analyses,

  16. Theoretical investigation of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe)

    SciTech Connect (OSTI)

    Gao, Kunqi; Sheng, Li

    2015-04-14

    The equilibrium geometries, harmonic frequencies, and dissociation energies of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe) were investigated using the following method: Becke-3-parameter-Lee-Yang-Parr (B3LYP), Boese-Matrin for Kinetics (BMK), second-order Mller-Plesset perturbation theory (MP2), and coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)). The results indicate that HHeNH{sub 3}{sup +}, HArNH{sub 3}{sup +}, HKrNH{sub 3}{sup +}, and HXeNH{sub 3}{sup +} ions are metastable species that are protected from decomposition by high energy barriers, whereas the HNeNH{sub 3}{sup +} ion is unstable because of its relatively small energy barrier for decomposition. The bonding nature of noble-gas atoms in HNgNH{sub 3}{sup +} was also analyzed using the atoms in molecules approach, natural energy decomposition analysis, and natural bond orbital analysis.

  17. Adaora Nwokoye, Ph.D | Department of Energy

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

    Adaora Nwokoye, Ph.D About Us Adaora Nwokoye, Ph.D - Science and Technology Policy Fellow, Office of Energy Efficiency and Renewable Energy

  18. Jacqueline R. Yang, Ph.D. | Department of Energy

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

    Jacqueline R. Yang, Ph.D. About Us Jacqueline R. Yang, Ph.D. - Deputy CIO for Architecture Engineering, Technology, and Innovation

  19. Mark Elless, Ph.D. | Department of Energy

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

    Mark Elless, Ph.D. About Us Mark Elless, Ph.D. - Technology Manager, Bioenergy Technologies Office Most Recent Biofuels and Barbecue Chips: Small Business Develops Process to ...

  20. A=10F (2004TI06)

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

    2004TI06) (Not illustrated) Not observed: see (1979AJ01). See also (1988AJ01

  1. A=10Ne (2004TI06)

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

    2004TI06) (Not illustrated) Not observed: see (1979AJ01). See also (1988AJ01

  2. A=10O (2004TI06)

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

    2004TI06) (Not illustrated) Not observed: see (1979AJ01). See also (1988AJ01

  3. A=17Al (1993TI07)

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

    Al (1993TI07) (Not observed) See (1983ANZQ, 1988WA18, 1992AV03).

  4. A=17He (1993TI07)

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

    93TI07) (Not illustrated) Not observed: see (1986AJ04, 1988POZS

  5. A=17Li (1993TI07)

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

    93TI07) (Not illustrated) Not observed: see (1986AJ04, 1988POZS

  6. A=17Mg (1993TI07)

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

    Mg (1993TI07) (Not observed) See (1983ANZQ, 1988WA18, 1992AV03).

  7. A=17P (1993TI07)

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

    93TI07) (Not observed) See (1983ANZQ, 1988WA18, 1992AV03

  8. A=17Si (1993TI07)

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

    Si (1993TI07) (Not observed) See (1983ANZQ, 1988WA18, 1992AV03).

  9. A=18He (1995TI07)

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

    95TI07) (Not illustrated) Not observed: See (1982AV1A, 1983ANZQ

  10. A=20Al, etc. (1998TI06)

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

    98TI06) (Not observed) See (1972AJ02, 1983ANZQ, 1986AN07

  11. A=20Be (1998TI06)

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

    98TI06) (Not observed) See (1977CE05, 1983ANZQ, 1986AN07, 1987SIZX

  12. A=20n (1998TI06)

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

    98TI06) (Not observed) See (1977CE05, 1983ANZQ, 1986AN07, 1987SIZX

  13. Prevention of hydrogen embrittlement by a TiO/sub 2/ surface layer

    SciTech Connect (OSTI)

    Nelson, J.G.; Murray, G.T.

    1984-03-01

    This article discusses the problem of hydrogen embrittlement of steels and its prevention, particularly by surface coatings. Preventive methods to date have largely been directed toward microstructure control. Because of the absence of data on prevention of hydrogen embrittlement by TiO/sub 2/ films, and because of the data that indicate that hydrogen diffusion in TiO/sub 2/ films is very low, the authors explore here the effect of a titanium oxide film on hydrogen embrittlement of 15-5 PH (an ARMCO Steel Corp. product) stainless steel.

  14. Selective Catalytic Reduction of NO by NH3 with WO3-TiO2 Catalysts: Influence of Catalyst Synthesis Method

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

    He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; Liu, Qingcai; Wu, Zili; Wachs, Israel E.

    2016-02-02

    A series of supported WO3/TiO2 catalysts was prepared by a new synthesis procedure involving co-precipitation of an aqueous TiO(OH)2 and (NH4)10W12O41*5H2O slurry under controlled pH conditions. The morphological properties, molecular structures, surface acidity and surface chemistry of the supported WO3/TiO2 catalysts were determined with BET, in situ Raman, in situ IR and temperature-programmed surface reaction (TPSR) spectroscopy, respectively. Isotopic 18O-16O exchange demonstrated that tungsten oxide was exclusively present as surface WOx species on the TiO2 support with mono-oxo W=O coordination. In contrast to previous studies employing impregnation synthesis that found only surface one mono-oxo O=WO4 site on TiO2, the co-precipitationmore » procedure resulted in the formation of two distinct surface WOx species: mono-oxo O=WO4 (~1010-1017 cm-1) on low defect density patches of TiO2 and a second mono-oxo O=WO4 (~983-986 cm-1) on high defect density patches of TiO2. The concentration of the second WOx surface species increases as a function of solution pH. Both surface WOx sites, however, exhibited the same NO/NH3 SCR reactivity. The co-precipitated WO3-TiO2 catalysts synthesized in alkaline solutions exhibited enhanced performance for the NO/NH3 SCR reaction that is ascribed to the greater number of surface defects on the resulting TiO2 support. For the co-precipitated catalyst prepared at pH10, surface NH4+ species on Br nsted acid sites were found to be more reactive than surface NH3* species on Lewis acid sites for SCR of NO with NH3.« less

  15. A=20He (1998TI06)

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

    He (1998TI06) (Not observed) See (1977CE05, 1983ANZQ, 1986AN07, 1987SIZX).

  16. A=20Li (1998TI06)

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

    Li (1998TI06) (Not observed) See (1977CE05, 1983ANZQ, 1986AN07, 1987SIZX).

  17. A=5n (2002TI10)

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

    2002TI10) (Not illustrated) See also the A = 5 introductory discussion titled A = 5 resonance parameters.

  18. The role of adsorption in decomposition of dyes on TiO{sub 2} and N-modified TiO{sub 2} photocatalysts under UV and visible light irradiations

    SciTech Connect (OSTI)

    Bubacz, Kamila; Tryba, Beata; Morawski, Antoni W.

    2012-11-15

    Graphical abstract: Influence of pH and zeta potential of TiO{sub 2} based photocatalysts on the adsorption and degradation of MB under UV irradiation. Highlights: ? Adsorption of dyes on TiO{sub 2}/N accelerated their decomposition under visible light. ? pH of solution and the PZC of the TiO{sub 2} surface influence the adsorption of dyes. ? Under UV irradiation oxidation of pollutants with OH radicals is the most powerful. -- Abstract: Photoactivities of TiO{sub 2} based photocatalysts towards dyes decomposition was studied by consider their adsorption abilities. It was proved that zeta potential and PZC (point zero charge) of photocatalyst surface as well as pH of solution strongly influenced adsorption of tested dyes, Methylene Blue (MB) and Reactive Red 198 (RR198). These dyes underwent the photocatalytic decomposition by two ways, OH radicals attack and direct oxidation with photogenerated holes. The latter one is more efficient in case of better contact of pollutant with the photocatalysts surface and is dominant under visible light irradiation, where insignificant amount of OH radicals is formed. The former one is powerful under UV irradiation and is a key factor in decomposition of dyes regardless of their adsorption abilities.

  19. Synthesis and Characterization of Photocatalytic TiO 2 -ZnFe 2 O 4 Nanoparticles

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

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    A new coprecipimore » tation/hydrolysis synthesis route is used to create a TiO 2 -ZnFe 2 O 4 nanocomposite that is directed towards extending the photoresponse of TiO 2 from UV to visible wavelengths ( > 400   nm ). The effect of TiO 2 's accelerated anatase-rutile phase transformation due to the presence of the coupled ZnFe 2 O 4 narrow-bandgap semiconductor is evaluated. The transformation's dependence on pH, calcinations temperature, particle size, and ZnFe 2 O 4 concentration has been analyzed using XRD, SEM, and UV-visible spectrometry. The requirements for retaining the highly photoactive anatase phase present in a ZnFe 2 O 4 nanocomposite are outlined. The visible-light-activated photocatalytic activity of the TiO 2 -ZnFe 2 O 4 nanocomposites has been compared to an Aldrich TiO 2 reference catalyst, using a solar-simulated photoreactor for the degradation of phenol.« less

  20. Synthesis and Characterization of PhotocatalyticTiO2-ZnFe2O4Nanoparticles

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

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    A new coprecipitation/hydrolysis synthesis route is used to create aTiO2-ZnFe2O4nanocomposite that is directed towards extending the photoresponse ofTiO2from UV to visible wavelengths (>400?nm). The effect ofTiO2's accelerated anatase-rutile phase transformation due to the presence of the coupledZnFe2O4narrow-bandgap semiconductor is evaluated. The transformation's dependence on pH, calcinations temperature, particle size, andZnFe2O4concentration has been analyzed using XRD, SEM, and UV-visible spectrometry. The requirements for retaining the highly photoactive anatase phase present in aZnFe2O4nanocomposite are outlined. The visible-light-activated photocatalytic activity of theTiO2-ZnFe2O4nanocomposites has been compared to an AldrichTiO2reference catalyst, using a solar-simulated photoreactor formorethe degradation of phenol.less

  1. High Flux Ti Nanofiltration Membrane

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

    Susan MacKay, Ph.D., Cerahelix, Inc. U.S. DOE Advanced Manufacturing Office Program Review Meeting Washington, D.C. May 28-29, 2015 This presentation does not contain any...

  2. Development of the Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) Process for Cesium Removal from High-Level Tank Waste

    SciTech Connect (OSTI)

    Moyer, Bruce A; Bonnesen, Peter V; Delmau, Laetitia Helene; Sloop Jr, Frederick {Fred} V; Williams, Neil J; Birdwell Jr, Joseph F; Lee, Denise L; Leonard, Ralph; Fink, Samuel D; Peters, Thomas B.; Geeting, Mark W

    2011-01-01

    This paper describes the chemical performance of the Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) process in its current state of development for removal of cesium from the alkaline high-level tank wastes at the Savannah River Site (SRS) in the US Department of Energy (USDOE) complex. Overall, motivation for seeking a major enhancement in performance for the currently deployed CSSX process stems from needs for accelerating the cleanup schedule and reducing the cost of salt-waste disposition. The primary target of the NG-CSSX development campaign in the past year has been to formulate a solvent system and to design a corresponding flowsheet that boosts the performance of the SRS Modular CSSX Unit (MCU) from a current minimum decontamination factor of 12 to 40,000. The chemical approach entails use of a more soluble calixarene-crown ether, called MaxCalix, allowing the attainment of much higher cesium distribution ratios (DCs) on extraction. Concurrently decreasing the Cs-7SB modifier concentration is anticipated to promote better hydraulics. A new stripping chemistry has been devised using a vitrification-friendly aqueous boric acid strip solution and a guanidine suppressor in the solvent, resulting in sharply decreased DCs on stripping. Results are reported herein on solvent phase behavior and batch Cs distribution for waste simulants and real waste together with a preliminary flowsheet applicable for implementation in the MCU. The new solvent will enable MCU to process a much wider range of salt feeds and thereby extend its service lifetime beyond its design life of three years. Other potential benefits of NG-CSSX include increased throughput of the SRS Salt Waste Processing Facility (SWPF), currently under construction, and an alternative modular near-tank application at Hanford.

  3. Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA

    SciTech Connect (OSTI)

    Hashimoto, Hideharu; Pais, June E.; Dai, Nan; Corrêa, Jr., Ivan R.; Zhang, Xing; Zheng, Yu; Cheng, Xiaodong

    2015-08-31

    The family of ten-eleven translocation (Tet) dioxygenases is widely distributed across the eukaryotic tree of life, from mammals to the amoeboflagellate Naegleria gruberi. Like mammalian Tet proteins, the Naegleria Tet-like protein, NgTet1, acts on 5-methylcytosine (5mC) and generates 5-hydroxymethylcytosine (5hmC), 5-formylcytosine (5fC) and 5-carboxylcytosine (5caC) in three consecutive, Fe(II)- and α-ketoglutarate-dependent oxidation reactions. The two intermediates, 5hmC and 5fC, could be considered either as the reaction product of the previous enzymatic cycle or the substrate for the next cycle. Here we present a new crystal structure of NgTet1 in complex with DNA containing a 5hmC. Along with the previously solved NgTet1–5mC structure, the two complexes offer a detailed picture of the active site at individual stages of the reaction cycle. In the crystal, the hydroxymethyl (OH-CH2-) moiety of 5hmC points to the metal center, representing the reaction product of 5mC hydroxylation. The hydroxyl oxygen atom could be rotated away from the metal center, to a hydrophobic pocket formed by Ala212, Val293 and Phe295. Such rotation turns the hydroxyl oxygen atom away from the product conformation, and exposes the target CH2 towards the metal-ligand water molecule, where a dioxygen O2 molecule would occupy to initiate the next round of reaction by abstracting a hydrogen atom from the substrate. The Ala212-to-Val (A212V) mutant profoundly limits the product to 5hmC, probably due to the reduced hydrophobic pocket size restricts the binding of 5hmC as a substrate.

  4. Un~ted States Env~ronmental Monltor~ng EPA.600 '4-88, 021 Envtronmental Protect~on Systems Laboratory DOE/OP/00539/060

    Office of Legacy Management (LM)

    Env~ronmental Monltor~ng EPA.600 '4-88, 021 Envtronmental Protect~on Systems Laboratory DOE/OP/00539/060 Agency P 0. Box 93478 June 1988 Las Vegas NV 89193-5478 Research and Development Off-Site Environmental Monitoring Report Radiation Monitoring Around United States 1 ' 7 L 8 f Nuclear Test Areas This page intentionally left blank EPA-60014-88-021 DOE/DPI0053?-060 May 1988 OFF-SITE ENVIRONMENTAL MONITORING REPORT R a d i a t i o n M o n i t o r i n g Around U n i t e d States Nuclear Test

  5. Infrared spectroscopy of CaTiO3, SrTiO3, BaTiO3, Ba0.5Sr0.5TiO3...

    Office of Scientific and Technical Information (OSTI)

    Infrared spectroscopy of CaTiO3, SrTiO3, BaTiO3, Ba0.5Sr0.5TiO3 thin films, and (BaTiO3)5(SrTiO3)5 superlattice grown on SrRuO3SrTiO3(001) substrates Citation Details In-Document ...

  6. NREL: Photovoltaics Research - Emily Warren, Ph.D.

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

    philosophy degree in engineering for sustainable development from the University of Cambridge in 2006. She completed her Ph.D. at Caltech, studying the growth and energy...

  7. Richard J. French, Ph.D. | Bioenergy | NREL

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

    Molecular beam mass spectrometry Molecular structure Instrumentation and controls Laboratory equipment design and construction Computer-aided design (CAD) Education Ph.D., ...

  8. J. Chris Ford, Ph.D. | Department of Energy

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

    Chris Ford, Ph.D. - Technical Advisor to the Director Office of Economic Impact and Diversity Most Recent by Chris Ford Unlocking Growth Opportunities for Minority Businesses...

  9. NREL: Photovoltaics Research - John Wohlgemuth, Ph.D.

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

    John Wohlgemuth, Ph.D. Principal Scientist Photo of John Wohlgemuth. 303-384-7982 Task Focus: Standards development, module failure analysis and the development of accelerated...

  10. NREL: Photovoltaics Research - Hasitha Mahabaduge, Ph.D.

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

    Hasitha Mahabaduge, Ph.D. Postdoctoral Researcher Photo of Hasitha Mahabaduge 303-384-7350 Hasitha.Mahabaduge@nrel.gov Dr. Hasitha Mahabaduge's primary research interests include...

  11. Energy Department Seeks Recent Ph.D. Recipients for Postdoctoral...

    Energy Savers [EERE]

    Research Projects to Spur Innovation in Solar Energy Energy Department Seeks Recent Ph.D. ... to solar energy deployment, using big data to solve solar's biggest challenges, and ...

  12. Magnetic Hardening of CeFe11Ti and the Effect of TiC Addition...

    Office of Scientific and Technical Information (OSTI)

    Magnetic Hardening of CeFe11Ti and the Effect of TiC Addition Citation ... Publication Date: 2015-04-01 OSTI Identifier: 1221660 Report Number(s): IS-J 8423 Journal ID: ISSN ...

  13. Consideration of Factors Affecting Strip Effluent PH and Sodium Content

    SciTech Connect (OSTI)

    Peters, T.

    2015-07-29

    A number of factors were investigated to determine possible reasons for why the Strip Effluent (SE) can sometimes have higher than expected pH values and/or sodium content, both of which have prescribed limits. All of the factors likely have some impact on the pH values and Na content.

  14. A=16Li (1993TI07)

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

    Li (1993TI07) (Not illustrated) This nucleus has not been observed. Shell model studies (1988POZS) are used to predict J and the magnetic dipole moment....

  15. A=16He (1993TI07)

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

    93TI07) (Not illustrated) This nucleus has not been observed. See (1982AV1A, 1983ANZQ, 1986AJ04

  16. A=19Mg (1995TI07)

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

    Mg (1995TI07) (Not observed) See (1987AJ02) and (1987GU1K, 1987PO01, 1993HI08

  17. Ng_NERSC_ASCR.pptx

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

    of the cavity shape due to fabrication errors. This discovery was achieved as a team effort between SLAC, TOPS, and JLab which underscores the importance of the SciDAC...

  18. Method for producing rapid pH changes

    DOE Patents [OSTI]

    Clark, J.H.; Campillo, A.J.; Shapiro, S.L.; Winn, K.R.

    A method of initiating a rapid pH change in a solution comprises irradiating the solution with an intense flux of electromagnetic radiation of a frequency which produces a substantial pK change to a compound in solution. To optimize the resulting pH change, the compound being irradiated in solution should have an excited state lifetime substantially longer than the time required to establish an excited state acid-base equilibrium in the solution. Desired pH changes can be accomplished in nanoseconds or less by means of picosecond pulses of laser radiation.

  19. Method for producing rapid pH changes

    DOE Patents [OSTI]

    Clark, John H.; Campillo, Anthony J.; Shapiro, Stanley L.; Winn, Kenneth R.

    1981-01-01

    A method of initiating a rapid pH change in a solution by irradiating the solution with an intense flux of electromagnetic radiation of a frequency which produces a substantial pK change to a compound in solution. To optimize the resulting pH change, the compound being irradiated in solution should have an excited state lifetime substantially longer than the time required to establish an excited state acid-base equilibrium in the solution. Desired pH changes can be accomplished in nanoseconds or less by means of picosecond pulses of laser radiation.

  20. David W. Mulder, Ph.D. | Bioenergy | NREL

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

    W. Mulder David W. Mulder, Ph.D. Research Scientist, Scientist III David.Mulder@nrel.gov | 303-384-7486 Research Interests David W. Mulder's research interests revolve around ...

  1. NREL: Photovoltaics Research - Nick Bosco, PhD

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

    Nick Bosco, PhD Senior Scientist Photo of vv 303-384-6337 Nick.Bosco@nrel.gov Task Focus: Failure Analysis and Accelerated Testing Specializes in: Infrared imaging and other...

  2. NREL: Photovoltaics Research - Andriy Zakutayev, Ph.D.

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

    Andriy Zakutayev, Ph.D. Scientist 303-384-6467 Andriy.Zakutayev@nrel.gov Andriy Zakutayev is a scientist working in the field of renewable energy technologies. The applied...

  3. NREL: Photovoltaics Research - Nancy M. Haegel, Ph.D.

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

    Nancy M. Haegel, Ph.D. Center Director, Materials Science Photo of Nancy Haegel 303 384 6548 Nancy.Haegel@nrel.gov Dr. Nancy Haegel is Center Director of the Materials Science...

  4. NREL: Photovoltaics Research - Mark Campanelli, Ph.D.

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

    Mark Campanelli, Ph.D. Postdoctoral Researcher 303-384-6469 Mark.Campanelli@nrel.gov Mark Campanelli graduated with a master's degree and a doctorate in mathematics from Montana...

  5. NREL: Photovoltaics Research - Teresa Barnes, Ph.D.

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

    Teresa Barnes, Ph.D. Senior Scientist 303-384-6682 Teresa.Barnes@nrel.gov Dr. Barnes received a bachelor's degree in chemical engineering from the University of Maryland in 2000...

  6. NREL: Photovoltaics Research - Benjamin G. Lee, Ph.D.

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

    Benjamin G. Lee, Ph.D. Research Scientist Photo of Benjamin Lee 303-384-7869 Benjamin.Lee@nrel.gov Benjamin Lee earned his bachelor's degree from the California Institute of...

  7. NREL: Photovoltaics Research - Stephan Lany, Ph.D.

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

    Stephan Lany, Ph.D. Scientist V Photo of Stephan Lany 303-384-6652 Stephan.Lany@nrel.gov Stephan Lany is a computational materials scientist with a background in electronic...

  8. NREL: Photovoltaics Research - Bill McMahon, Ph.D.

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

    Bill McMahon, Ph.D. Senior Scientist 303-384-6578 Bill.McMahon@nrel.gov Dr. Bill McMahon received a bachelor's degree in engineering physics from the Colorado School of Mines in...

  9. MICfiAEL WHALEN-SHXW, Ph.D. *

    Office of Scientific and Technical Information (OSTI)

    r' q p MICfiAEL WHALEN-SHXW, Ph.D. * 7041 Zane Trail Road Circleville, Ohio 43113 (614) ... ( . . . * * @ ' 1 ) 1 3 IS Mbt?Jrn 4 ' D DISCLAIMER This report was prepared as an ...

  10. Daniel A. Ruddy, Ph.D. | Bioenergy | NREL

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

    A. Ruddy Daniel A. Ruddy, Ph.D. Inorganic and Materials Chemist, Senior Scientist Dan.Ruddy@nrel.gov | 303-384-6322 Research Interests Inorganic chemistry and catalysis New synthetic pathways to functional materials Renewable fuels production and processes Biomass conversion catalysis Areas of Expertise Dan received a Ph.D. degree in Inorganic Chemistry from the University of California, Berkeley in 2008. His doctoral research combined synthetic molecular and materials chemistry with detailed

  11. Tina Kaarsberg, Ph.D. | Department of Energy

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

    Tina Kaarsberg, Ph.D. About Us Tina Kaarsberg, Ph.D. - SBIR/STTR Program Manager, Office of Energy Efficiency and Renewable Energy Most Recent New SBIR All-in-One Web Tool Helps Small Businesses Navigate Nine Websites October 27 Small Business Innovation Research Projects to Make a Big Impact on Clean Energy Economy June 16 Small Business Innovation Research: Bringing Clean Energy Technologies to the Marketplace May 1

  12. Comparing Metal Leaching and Toxicity from High pH, Low pH, and High Ammonia Fly Ash

    SciTech Connect (OSTI)

    Palumbo, Anthony Vito; Phillips, Jana Randolph; Fagan, Lisa Anne; Drake, Meghan M; Ruther, Rose Emily; Fisher, L. Suzanne; Amonette, J. E.

    2007-01-01

    Previous work with both class F and class C fly ash indicated minimal leaching from most fly ashes tested. However, the addition of NOx removal equipment might result in higher levels of ammonia in the fly ash. We have recently been testing fly ash with a wide range of pH (3.7-12.4) originating from systems with NOx removal equipment. Leaching experiments were done using dilute CaCl2 solutions in batch and columns and a batch nitric acid method. All methods indicated that the leaching of heavy metals was different in the highest ammonia sample tested and the high pH sample. However, toxicity testing with the Microtox system has indicated little potential toxicity in leachates except for the fly ash at the highest pH (12.4). When the leachate from the high pH fly ash was neutralized, toxicity was eliminated.

  13. Comparing metal leaching and toxicity from high pH, low pH, and high ammonia fly ash

    SciTech Connect (OSTI)

    Palumbo, Anthony V.; Tarver, Jana R.; Fagan, Lisa A.; McNeilly, Meghan S.; Ruther, Rose; Fisher, L. S.; Amonette, James E.

    2007-07-01

    Previous work with both class F and class C fly ash indicated minimal leaching from most fly ashes tested. However, the addition of NOx removal equipment might result in higher levels of ammonia in the fly ash. We have recently been testing fly ash with a wide range of pH (3.712.4) originating from systems with NOx removal equipment. Leaching experiments were done using dilute CaCl2 solutions in batch and columns and a batch nitric acid method. All methods indicated that the leaching of heavy metals was different in the highest ammonia sample tested and the high pH sample. However, toxicity testing with the Microtox* system has indicated little potential toxicity in leachates except for the fly ash at the highest pH (12.4). When the leachate from the high pH fly ash was neutralized, toxicity was eliminated.

  14. FPDS-NG National Interest Action (NIA) Code to Track Procurement Actions Made in Support of the Pacific Earthquake and Tsunami

    Broader source: Energy.gov [DOE]

    The purpose of this Policy Flash is to advise Contracting Officers of the establishment of a new National Interest Action (NIA) Code to track procurement actions made in support of the Pacific Earthquake and Tsunami. As explained below, this action does not trigger or otherwise authorize agencies to use any Emergency Acquisition Flexibilities in Federal Acquisition Regulation (FAR) 18.2. Effective immediately, procurement actions in direct response to the Pacific earthquake and tsunami should be reported in FPDS-NG using the NIA code "Pacific Earthquake/Tsunami 2011." The NIA value for Pacific Earthquake and Tsunami is currently valid from March 11, 2011, to September 12, 2011. Since responses to this incident may be conducted inside or outside the United States, Contracting Officers should ensure that "Place of Performance" data accurately reflects where the work will be performed. Note: This NIA Code should be used only to facilitate cost collection and reporting. Use of this NIA Code does not authorize or justify use of any Emergency Acquisition Flexibilities in FAR 18.2. However, the acquisition flexibilities described in FAR 18.1 may be available, as well as others in agency acquisition supplements, to support the response to the Pacific Earthquake and Tsunami.

  15. The permeation behavior of deuterium through 1Cr18Ni9Ti stainless steel with TiN+TiC-TiN multiple films

    SciTech Connect (OSTI)

    Xiong, Y.; Song, J.; Luo, D.; Lei, Q.; Chen, C.

    2015-03-15

    The prevention of tritium losses via permeation through structure components is an important issue in fusion technology. The production of thin layers on materials with low diffusivity and/or low surface recombination constants (so-called permeation barriers) seems to be the most practical method to reduce or hinder the permeation of tritium through materials. TiN+TiC+TiN multiple films are deposited on the surface of 1Cr18Ni9Ti stainless steel by ion-beam assisted deposition technology. The characteristics of films are tested by XPS ASEM and XRD, which shows that the film are compact and uniform with a thickness of about 15 μm, and have a good adherence with the substrate below 773 K. The diffraction peaks in the XRD patterns for TiC and TiN are broadened, implying that the multiple films are deposited on the surface of 1Cr18Ni9Ti stainless steel. Meanwhile, the C-H bonded CH{sub 4}-appears in the infrared spectra of multiple films, suggesting that the CH{sub 4}- is in a static state, so hydrogen atom cannot migrate from the site bonded with carbon to a neighboring site. The measured deuterium permeability in 1Cr18Ni9Ti stainless steel coated with multiple films is 2-3 orders of magnitude lower than that of pure 1Cr18Ni9Ti stainless steel substrate from 473 K to 773 K. However, this barrier is partly destroyed above 773 K.

  16. Near-infrared noninvasive spectroscopic determination of pH

    DOE Patents [OSTI]

    Alam, Mary K.; Robinson, Mark R.

    1998-08-11

    Methods and apparatus for, preferably, determining noninvasively and in vitro pH in a human. The non-invasive method includes the steps of: generating light at three or more different wavelengths in the range of 1000 nm to 2500 nm; irradiating blood containing tissue; measuring the intensities of the wavelengths emerging from the blood containing tissue to obtain a set of at least three spectral intensities v. wavelengths; and determining the unknown values of pH. The determination of pH is made by using measured intensities at wavelengths that exhibit change in absorbance due to histidine titration. Histidine absorbance changes are due to titration by hydrogen ions. The determination of the unknown pH values is performed by at least one multivariate algorithm using two or more variables and at least one calibration model. The determined pH values are within the physiological ranges observed in blood containing tissue. The apparatus includes a tissue positioning device, a source, at least one detector, electronics, a microprocessor, memory, and apparatus for indicating the determined values.

  17. Ti Leggett | Argonne Leadership Computing Facility

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

    Ti Leggett Deputy Project Directcor & Deputy Director of Operations Argonne National Laboratory 9700 S. Cass Avenue Building 240 - Room 3132 Argonne, IL 60439 630-252-1937 tleggett

  18. A=10C (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 10C) GENERAL: References to articles on general properties of 10C published since the previous review (1988AJ01) are grouped into...

  19. A=10N (2004TI06)

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

    2004TI06) (Not illustrated) GENERAL: References to articles on general properties of 10N published since the previous review (1988AJ01) are grouped into categories and listed,...

  20. A=10Li (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 10Li) GENERAL: References to articles on general properties of 10Li published since the previous review (1988AJ01) are grouped into...

  1. A=10He (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 10He) GENERAL: References to articles on general properties of 10He published since the previous review (1988AJ01) are grouped into...

  2. A=18Li (1995TI07)

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

    Li (1995TI07) (Not illustrated) 18Li has not been observed. Shell model calculations described in (1988POZS) predict the ground-state magentic dipole moment and charge and matter radii.

  3. A=18Mg, etc. (1995TI07)

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

    95TI07) (Not observed) See (1986AN07) and (1983ANZQ). See also the results of calculations of β+/electron capture half lives for neutron deficient nuclei in (1993HI08

  4. A=6B (2002TI10)

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

    2002TI10) (Not illustrated) Not observed: see ( 1984AJ01, 1989GR06 [6Li(π+, π-) at Eπ+ = 180, 240 MeV], 1993PO11 [properties of exotic light nuclei]) (1998SU18

  5. A=6C (2002TI10)

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

    2002TI10) (Not illustrated) Not observed: see (1979AJ01, 1984AJ01, 1989GR06 [6Li(π+, π-) at Eπ+ = 180, 240 MeV], 1993PO11 [properties of exotic light nuclei]) (1998SU18

  6. Activity-based protein profiling of secreted cellulolytic enzyme activity dynamics in Trichoderma reesei QM6a, NG14, and RUT-C30

    SciTech Connect (OSTI)

    Anderson, Lindsey N.; Culley, David E.; Hofstad, Beth A.; Chauvigne-Hines, Lacie M.; Zink, Erika M.; Purvine, Samuel O.; Smith, Richard D.; Callister, Stephen J.; Magnuson, Jon M.; Wright, Aaron T.

    2013-12-01

    Development of alternative, non-petroleum based sources of bioenergy that can be applied in the short-term find great promise in the use of highly abundant and renewable lignocellulosic plant biomass.1 This material obtained from different feedstocks, such as forest litter or agricultural residues, can yield liquid fuels and other chemical products through biorefinery processes.2 Biofuels are obtained from lignocellulosic materials by chemical pretreatment of the biomass, followed by enzymatic decomposition of cellulosic and hemicellulosic compounds into soluble sugars that are converted to desired chemical products via microbial metabolism and fermentation.3, 4 To release soluble sugars from polymeric cellulose multiple enzymes are required, including endoglucanase, exoglucanase, and ?-glucosidase.5, 6 However, the enzymatic hydrolysis of cellulose into soluble sugars remains a significant limiting factor to the efficient and economically viable utilization of lignocellulosic biomass for transport fuels.7, 8 The primary industrial source of cellulose and hemicellulases is the mesophilic soft-rot fungus Trichoderma reesei,9 having widespread applications in food, feed, textile, pulp, and paper industries.10 The genome encodes 200 glycoside hydrolases, including 10 cellulolytic and 16 hemicellulolytic enzymes.11 The hypercellulolytic catabolite derepressed strain RUT-C30 was obtained through a three-step UV and chemical mutagenesis of the original T. reesei strain QM6a,12, 13 in which strains M7 and NG14 were intermediate, having higher cellulolytic activity than the parent strain but less activity and higher catabolite repression than RUT-C30.14 Numerous methods have been employed to optimize the secreted enzyme cocktail of T. reesei including cultivation conditions, operational parameters, and mutagenesis.3 However, creating an optimal and economical enzyme mixture for production-scale biofuels synthesis may take thousands of experiments to identify.

  7. PhD Comics' guide to fusion makes the complex understandable...

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

    PhD Comics' guide to fusion makes the complex understandable June 12, 2014 (Photo by PhD Comics, www.phdcomics.comTV) A scene from PhD Comics' Jorge Cham's video "What is Fusion" ...

  8. Measurement and control of pH in hydrothermal solutions

    SciTech Connect (OSTI)

    Wesolowski, D.J.; Palmer, D.A.; Mesmer, R.E.

    1995-12-31

    Hydrogen-electrode concentration cells with liquid junction are routinely used to measure the pH of aqueous solutions from 0 to 300 C. Results include the dissociation constants of common acids and bases and the hydrolysis and complexation of metal ions in aqueous electrolytes over a wide range of salinities. Recently, we have utilized these cells to examine the sorption of H{sup +} on mineral surfaces, the solubility of minerals with continuous in situ pH measurement, and the thermal decompositon rates of organic acids.

  9. A=20B (1998TI06)

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

    98TI06) (Not observed) The mass excess of 20B is predicted to be 69.08 MeV (1974TH01). 20B is then unstable with respect to breakup into 19B + n by 0.9 MeV: see 19B in (1995TI07) and (1978AJ03, 1983ANZQ) and see the work on effective interactions for the (0p1s0d) nuclear shell-model space (1992WA22

  10. Instability of Hydrogenated TiO2

    SciTech Connect (OSTI)

    Nandasiri, Manjula I.; Shutthanandan, V.; Manandhar, Sandeep; Schwarz, Ashleigh M.; Oxenford, Lucas S.; Kennedy, John V.; Thevuthasan, Suntharampillai; Henderson, Michael A.

    2015-11-06

    Hydrogenated TiO2 (H-TiO2) is toted as a viable visible light photocatalyst. We report a systematic study on the thermal stability of H-implanted TiO2 using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA). Protons (40 keV) implanted at a ~2 atom % level within a ~120 nm wide profile of rutile TiO2(110) were situated ~300 nm below the surface. NRA revealed that this H-profile broadened preferentially toward the surface after annealing at 373 K, dissipated out of the crystal into vacuum at 473 K, and was absent within the beam sampling depth (~800 nm) at 523 K. Photoemission showed that the surface was reduced in concert with these changes. Similar anneals had no effect on pristine TiO2(110). The facile bulk diffusivity of H in rutile, as well as its activity toward interfacial reduction, significantly limits the utilization of H-TiO2 as a photocatalyst. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  11. Enhanced photocatalytic efficiency of NiS/TiO{sub 2} composite catalysts using sunset yellow, an azo dye under day light illumination

    SciTech Connect (OSTI)

    Rajamanickam, D.; Dhatshanamurthi, P.; Shanthi, M.

    2015-01-15

    Highlights: • NiS/TiO{sub 2} was successfully synthesized by sol–gel method. • This new method of preparation gives a homogeneous dispersion of NiS on TiO{sub 2}. • Degradation activity of NiS/TiO{sub 2} is found to be more efficient than other catalysts. • Addition of oxidants enhances the degradation efficiency significantly. • COD measurements reveal the complete mineralization of dye molecules. • The catalyst is found to be reusable. - Abstract: To improve the solar light induced photocatalytic application performances of TiO{sub 2}, in this study, the NiS modified TiO{sub 2} composite photocatalysts with various ratios of NiS to TiO{sub 2} were prepared by sol–gel method. The catalyst was characterized by X-ray diffraction (XRD), high resolution scanning electron microscope (HR-SEM), high resolution transmission electron microscope (HR-TEM), energy dispersive spectra (EDS), diffuse reflectance spectra (DRS), photoluminescence spectra (PL), X-ray photoelectron spectroscopy (XPS), and Brunauer–Emmett–Teller (B–E–T) surface area measurement methods. The photocatalytic activity of NiS/TiO{sub 2} was investigated for the degradation of sunset yellow (SY) in aqueous solution using solar light. The NiS/TiO{sub 2} is found to be more efficient than prepared TiO{sub 2} and TiO{sub 2}–P25 at pH 7 for the mineralization of SY. The effects of operational parameters such as the amount of photocatalyst, dye concentration and initial pH on photo mineralization of SY have been analyzed. The degradation was strongly enhanced in the presence of oxidants such as H{sub 3}K{sub 5}O{sub 18}S{sub 4} (Oxone), KIO{sub 4}, and KBrO{sub 3}. The mineralization of SY has been identified by COD measurements. The catalyst is found to be reusable.

  12. Strong Energy-momentum Dispersion of Phonon Dressed Carriers in the Lightly Doped Band Insulator SrTiO3

    SciTech Connect (OSTI)

    Meevasana, Warawat

    2010-05-26

    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO{sub 3} (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La{sub 2}CuO{sub 4} by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO{sub 3}. Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a {lambda}{prime} {approx} 0.3 and an overall bandwidth renormalization suggesting an overall {lambda}{prime} {approx} 0.7 coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  13. Flexible high-temperature pH probe

    DOE Patents [OSTI]

    Bielawski, John C.; Outwater, John O.; Halbfinger, George P.

    2003-04-22

    A flexible pH probe device is provided for use in hot water and other high temperature environments up to about 590.degree. F. The pH probe includes a flexible, inert tubular probe member, an oxygen anion conducting, solid state electrolyte plug located at the distal end of the tubular member, oxide powder disposed at the distal end of the tubular member; a metal wire extending along the tubular member and having a distal end in contact with the oxide powder so as to form therewith an internal reference electrode; and a compression fitting forming a pressure boundary seal around a portion of the tubular member remote from the distal end thereof. Preferably, the tubular member is made of polytetrafluoroethylene, and the solid state electrolyte plug is made of stabilized zirconia. The flexibility of the probe member enables placement of the electrode into the area of interest, including around corners, into confined areas and the like.

  14. SAMPLING DEVICE FOR pH MEASUREMENT IN PROCESS STREAMS

    DOE Patents [OSTI]

    Michelson, C.E.; Carson, W.N. Jr.

    1958-11-01

    A pH cell is presented for monitoring the hydrogen ion concentration of a fluid in a process stream. The cell is made of glass with a side entry arm just above a reservoir in which the ends of a glass electrode and a reference electrode are situated. The glass electrode contains the usual internal solution which is connected to a lead. The reference electrode is formed of saturated calomel having a salt bridge in its bottom portion fabricated of a porous glass to insure low electrolyte flow. A flush tube leads into the cell through which buffer and flush solutions are introduced. A ground wire twists about both electrode ends to insure constant electrical grounding of the sample. The electrode leads are electrically connected to a pH meter of aay standard type.

  15. Yannick J. Bomble, Ph.D. | Bioenergy | NREL

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

    Yannick J. Bomble Yannick J. Bomble, Ph.D. Senior Research Scientist Yannick.Bomble@nrel.gov | 303-384-7729 Research Interests Development of thermophilic bacteria for improved biomass deconstruction Biomass degrading mechanisms of thermophilic bacteria Metabolic modeling and pathway engineering in microbes for upgrading sugar to fuels and high value chemicals Metabolic enzyme characterization, modeling, and engineering (thermostability, cofactor specificity, binding, rate limiting step)

  16. Morphology, deformation, and defect structures of TiCr{sub 2} in Ti-Cr alloys

    SciTech Connect (OSTI)

    Chen, K.C.; Allen, S.M.; Livingston, J.D.

    1992-12-31

    The morphologies and defect structures of TiCr{sub 2} in several Ti-Cr alloys have been examined by optical metallography, x-ray diffraction, and transmission electron microscopy (TEM), in order to explore the room-temperature deformability of the Laves phase TiCr{sub 2}. The morphology of the Laves phase was found to be dependent upon alloy composition and annealing temperature. Samples deformed by compression have also been studied using TEM. Comparisons of microstructures before and after deformation suggest an increase in twin, stacking fault, and dislocation density within the Laves phase, indicating some but not extensive room-temperature deformability.

  17. Solution-Derived Bi(ZnTi)O3 - BaTiO3 Thin Films with Bulk-like...

    Office of Scientific and Technical Information (OSTI)

    Title: Solution-Derived Bi(ZnTi)O3 - BaTiO3 Thin Films with Bulk-like Permittivity. Abstract not provided. Authors: Meyer, Kelsey Elizabeth ; Kotula, Paul Gabriel ; Brennecka, ...

  18. Carrier-Controlled Ferromagnetism in SrTiO3

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

    Moetakef, Pouya; Williams, James R.; Ouellette, Daniel G.; Kajdos, Adam P.; Goldhaber-Gordon, David; Allen, S. James; Stemmer, Susanne

    2012-06-27

    Magnetotransport and superconducting properties are investigated for uniformly La-doped SrTiO3 films and GdTiO3/SrTiO3 heterostructures, respectively. GdTiO3/SrTiO3 interfaces exhibit a high-density 2D electron gas on the SrTiO3 side of the interface, while, for the SrTiO3 films, carriers are provided by the dopant atoms. Both types of samples exhibit ferromagnetism at low temperatures, as evidenced by a hysteresis in the magnetoresistance. For the uniformly doped SrTiO3 films, the Curie temperature is found to increase with doping and to coexist with superconductivity for carrier concentrations on the high-density side of the superconducting dome. The Curie temperature of the GdTiO3/SrTiO3 heterostructures scales with themore » thickness of the SrTiO3 quantum well. The results are used to construct a stability diagram for the ferromagnetic and superconducting phases of SrTiO3.« less

  19. Giant persistent photoconductivity in BaTiO{sub 3}/TiO{sub 2} heterostructures

    SciTech Connect (OSTI)

    Plodinec, Milivoj; anti?, Ana; Gajovi?, Andreja; Zavanik, Janez; ?eh, Miran

    2014-10-13

    The persistent photoconductivity (PPC) effect in nanotube arrays of barium titanate and TiO{sub 2} (BTO/TiO{sub 2}NT) was studied at room temperature under daylight illumination. The BTO/TiO{sub 2}NT heterostructures exhibited a giant PPC effect that was six orders of magnitude higher than the dark conductivity, followed by a slow relaxation for 3 h. The PPC in this material was explained by the existence of defects at the surfaces and the interfaces of the investigated heterostructures. The sample was prepared using a two-step synthesis: the anodization of a Ti-foil and a subsequent hydrothermal synthesis. The structural and electrical characteristics were studied by micro-Raman spectroscopy, field-emission-gun scanning electron microscopy, and impedance spectroscopy.

  20. A=18C (1995TI07)

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

    of the 48Ca(18O, 18C)48Ti reaction. 18C is then bound by 4.188 MeV with respect to breakup into 17C + n. See also (1982FI10, 1987AJ02, 1992WA22). 1. 18C(-)18N Qm 11.807 The...

  1. A=18Na (1995TI07)

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

    95TI07) (Not observed) 18Na has not been observed; its atomic mass excess has been estimated to be 25.32 MeV (1993AU05); it is then unbound with respect to proton emission by 1.6 MeV: see (1978AJ03). See also (1986AN07) and (1983ANZQ

  2. A=5Be (2002TI10)

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

    2002TI10) (See the Isobar Diagram for 5Be) See also the A = 5 introductory discussion titled A = 5 resonance parameters. The absence of any group structure in the neutron spectrum in the reaction 3He(3He, n)5Be at E(3He) = 18.0 to 26.0 MeV indicates that 5Beg.s

  3. The corrosivity and passivity of sputtered Mg-Ti alloys

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

    Song, Guang -Ling; Unocic, Kinga A.; Meyer, III, Harry M.; Cakmak, Ercan; Brady, Michael P.; Gannon, Paul E.; Himmer, Phil; Andrews, Quinn

    2015-11-30

    Our study explored the possibility of forming a “stainless” Mg–Ti alloy. The electrochemical behavior of magnetron-sputtered Mg–Ti alloys was measured in a NaCl solution, and the surface films on the alloys were examined by XPS, SEM and TEM. Increased corrosion resistance was observed with increased Ti content in the sputtered Mg–Ti alloys, but passive-like behavior was not reached until the Ti level (atomic %) was higher than the Mg level. Moreover, the surface film that formed on sputtered Mg–Ti based alloys in NaCl solution was thick, discontinuous and non-protective, whereas a thin, continuous and protective Mg and Ti oxide filmmore » was formed on a sputtered Ti–Mg based alloy.« less

  4. The corrosivity and passivity of sputtered Mg-Ti alloys

    SciTech Connect (OSTI)

    Song, Guang -Ling; Unocic, Kinga A.; Meyer, III, Harry M.; Cakmak, Ercan; Brady, Michael P.; Gannon, Paul E.; Himmer, Phil; Andrews, Quinn

    2015-11-30

    Our study explored the possibility of forming a “stainless” Mg–Ti alloy. The electrochemical behavior of magnetron-sputtered Mg–Ti alloys was measured in a NaCl solution, and the surface films on the alloys were examined by XPS, SEM and TEM. Increased corrosion resistance was observed with increased Ti content in the sputtered Mg–Ti alloys, but passive-like behavior was not reached until the Ti level (atomic %) was higher than the Mg level. Moreover, the surface film that formed on sputtered Mg–Ti based alloys in NaCl solution was thick, discontinuous and non-protective, whereas a thin, continuous and protective Mg and Ti oxide film was formed on a sputtered Ti–Mg based alloy.

  5. Re-designing the PhEDEx Security Model

    SciTech Connect (OSTI)

    Huang, C.-H.; Wildish, T.; Zhang, X.

    2014-01-01

    PhEDEx, the data-placement tool used by the CMS experiment at the LHC, was conceived in a more trusting time. The security model provided a safe environment for site agents and operators, but offerred little more protection than that. Data was not sufficiently protected against loss caused by operator error or software bugs or by deliberate manipulation of the database. Operators were given high levels of access to the database, beyond what was actually needed to accomplish their tasks. This exposed them to the risk of suspicion should an incident occur. Multiple implementations of the security model led to difficulties maintaining code, which can lead to degredation of security over time. In order to meet the simultaneous goals of protecting CMS data, protecting the operators from undue exposure to risk, increasing monitoring capabilities and improving maintainability of the security model, the PhEDEx security model was redesigned and re-implemented. Security was moved from the application layer into the database itself, fine-grained access roles were established, and tools and procedures created to control the evolution of the security model over time. In this paper we describe this work, we describe the deployment of the new security model, and we show how these enhancements improve security on several fronts simultaneously.

  6. Effect of neutron irradiation on defect evolution in Ti3SiC2 and Ti2AlC

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

    Tallman, Darin J.; He, Lingfeng; Garcia-Diaz, Brenda L.; Hoffman, Elizabeth N.; Kohse, Gordon; Sindelar, Robert L.; Barsoum, Michel W.

    2015-10-23

    Here, we report on the characterization of defects formed in polycrystalline Ti3SiC2 and Ti2AlC samples exposed to neutron irradiation – up to 0.1 displacements per atom (dpa) at 350 ± 40 °C or 695 ± 25 °C, and up to 0.4 dpa at 350 ± 40 °C. Black spots are observed in both Ti3SiC2 and Ti2AlC after irradiation to both 0.1 and 0.4 dpa at 350 °C. After irradiation to 0.1 dpa at 695 °C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. At 9 ± 3 and 10 ±more » 5 nm, the loop diameters in the Ti3SiC2 and Ti2AlC samples, respectively, were comparable. At 1 × 1023 loops/m3, the dislocation loop density in Ti2AlC was ≈1.5 orders of magnitude greater than in Ti3SiC2, at 3 x 1021 loops/m3. After irradiation at 350 °C, extensive microcracking was observed in Ti2AlC, but not in Ti3SiC2. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti3SiC2. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al2O3. Based on these results, Ti3SiC2 appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti2AlC.« less

  7. Recent Ph.D. Recipients Sought for Innovative Research in Solar...

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

    Recent Ph.D. Recipients Sought for Innovative Research in Solar Energy Recent Ph.D. Recipients Sought for Innovative Research in Solar Energy March 23, 2016 - 2:57pm Addthis ...

  8. Microfluidic device having an immobilized pH gradient and page...

    Office of Scientific and Technical Information (OSTI)

    pH gradient and page gels for protein separation and analysis Citation Details In-Document Search Title: Microfluidic device having an immobilized pH gradient and page gels ...

  9. PH adjustment of power plant cooling water with flue gas/fly...

    Office of Scientific and Technical Information (OSTI)

    PH adjustment of power plant cooling water with flue gasfly ash Citation Details In-Document Search Title: PH adjustment of power plant cooling water with flue gasfly ash A...

  10. Brine pH Modification Scale Control Technology. 2. A Review.pdf...

    Open Energy Info (EERE)

    Brine pH Modification Scale Control Technology. 2. A Review.pdf Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: Brine pH Modification Scale...

  11. Colloidal processing and sintering of nano-scale TiN

    SciTech Connect (OSTI)

    Nab, R.; Albayrak, S.; Aslan, M.; Schmidt, H.

    1995-09-01

    Surface modification of nano-scale TiN powder with guanidine propionic acid was used for the preparation of well dispersed slurries. The starting powder could be completely deagglomerated for modifier concentrations exeeding 7.5 wt.-% at pH = 9. Such slurries ({le} 40 wt.-% solid content) behave like an ideal Netwonian liquid. Green compacts with relative densities around 50 % were prepared by pressure filtration. The specimens are characterized by a homogeneous green microstructure with pore sizes in the range of 3 to 10 mn, which could be sintered to high density (> 96 %) below 1400{degrees}C. Up to densities of 96 % grain coarsening can be neglected, but further densification was accompanied by an exaggregated grain growth.

  12. Structural and Morphological Difference Between Ti/TiN/TiCN Coatings Grown in Multilayer and Graded Form

    SciTech Connect (OSTI)

    Restrepo, E.; Baena, A.; Agudelo, C.; Castillo, H.; Devia, A.; Marino, A.

    2006-12-04

    Thin films can be grown in super-lattice, multilayers and graded form, having each one advantages and disadvantages. The difference between multilayer and graded coatings is the interface. In multilayers the interface is abrupt and in graded coatings it is diffuse. The interface influences many chemical and physical properties of the materials, and its choice depends on the application. Graded coatings have the advantage of having gradual properties such as thermal expansion coefficient and lattice parameter, avoiding adherence problems due to good match between their component materials. In this work the comparison between some properties of coatings grown as multilayer and graded is performed. The materials are produced using the sputtering DC technique because of its facility to control the deposition parameters and generate a slow growth. The target is a disc of titanium and the samples are made of stainless steel 304. The working gases are argon, nitrogen and methane, which are mixed according to the material to be produced, i.e. Ti layer is grown with argon, the TiN film is produced with a mixture of argon and nitrogen, and the TiCN material is obtained mixing argon, nitrogen and methane. These materials are characterized with AFM in order to determine grain size and with XPS studying the chemical composition and performing depth profiles.

  13. A=3n (1987TI07)

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

    1987TI07) (Not illustrated) GENERAL: The weight of experimental evidence reviewed in the previous compilation of Fiarman and Hanna (1975FI08) is strongly against the existence of a bound state of the three-neutron system, and only controversial evidence of 3n resonances was cited. Several experiments carried out more recently have strengthened the evidence against the bound trineutron and have failed to discover resonance structure that cannot be otherwise explained. The most suggestive work is

  14. Photochemical solar cells based on dye-sensitization of nanocrystalline TiO{sub 2}

    SciTech Connect (OSTI)

    Deb, S.K.; Ellingson, R.; Ferrere, S.; Frank, A.J.; Gregg, B.A.; Nozik, A.J.; Park, N.; Schlichthoerl, G.; Zaban, A.

    1999-03-01

    A photoelectrochemical solar cell that is based on the dye-sensitization of thin nanocrystalline films of TiO{sub 2} (anatase) nanoparticles in contact with a non-aqueous liquid electrolyte is described. The cell, fabricated at NREL, shows a conversion efficiency of {approximately}9.2{percent} at AM1.5, which approaches the best reported value of 10{percent}-11{percent} by Gr{umlt a}tzel at EPFL in Lausanne, Switzerland. Femtosecond (fs) pump-probe spectroscopy has been used to time resolve the injection of electrons into the conduction band of nanocrystalline TiO{sub 2} films under ambient conditions following photoexcitation of the adsorbed Ru(II)-complex dye. The measurement indicates an instrument-limited {minus}50 fs upper limit on the electron injection time. We also report the sensitization of nanocrystalline TiO{sub 2} by a novel iron-based dye. cis-[Fe{sup II}(2,2{sup {prime}}-bipyridine-4,4{sup {prime}}-dicarboxylic&hthinsp;acid){sub 2}(CN){sub 2}], a chromophore with an extremely short-lived, nonemissive excited state. The dye also exhibits a unique {open_quotes}band selective{close_quotes} sensitization through one of its two absorption bands. The operational principle of the device has been studied through the measurement of electric field distribution within the device structure and studies on the pH dependence of dye-redox potential. The incorporation of a WO{sub 3}-based electrochromic layer into this device has led to a novel photoelectrochromic device structure for {open_quotes}smart window{close_quotes} applications. {copyright} {ital 1999 American Institute of Physics.}

  15. Electrospray deposition of titanium dioxide (TiO{sub 2}) nanoparticles

    SciTech Connect (OSTI)

    Halimi, Siti Umairah Bakar, Noor Fitrah Abu Ismail, Siti Norazian Hashib, Syafiza Abd; Naim, M. Nazli

    2014-02-24

    Deposition of titanium dioxide (TiO{sub 2}) nanoparticles was conducted by using eletrospray method. 0.05wt% of titanium dioxide suspension was prepared and characterized by using Malvern Zetasizer prior to the experiment. From Zetasizer results, stable suspension condition was obtained which is at pH 2 with zeta potential value of ±29.0 mV. In this electrospraying, the suspension was pumped at flowrate of 5 ml/hr by using syringe pump. The input voltage of 2.1 kV was applied at the nozzle tip and counter electrode. Electrosprayed particles were collected on the grounded aluminium plate substrate which was placed at 10–20 cm from counter electrode. Particles were then characterized using FESEM and average size of electrosprayed particles obtained. Initial droplet size was calculated by scaling law and compared with FE-SEM results in order to prove droplet fission occur during electrospray. Due to the results obtained, as the working distance increase from 10–20 cm the deposited TiO{sub 2} droplet size decrease from 247–116 nm to show droplet fission occur during the experiment.

  16. A Review Corrosion of TI Grade 7 and Other TI Alloys in Nuclear Waste Repository Environments

    SciTech Connect (OSTI)

    F. Hua; K. Mon; P. Pasupathi; G. Gordon

    2004-05-11

    Titanium alloy degradation modes are reviewed in relation to their performance in repository environments. General corrosion, localized corrosion, stress corrosion cracking, hydrogen induced cracking, microbially influenced corrosion, and radiation-assisted corrosion of Ti alloys are considered. With respect to the Ti Grade 7 drip shields selected for emplacement in the repository at Yucca Mountain, general corrosion, hydrogen induced cracking, and radiation-assisted corrosion will not lead to failure within the 10,000 year regulatory period; stress corrosion cracking (in the absence of disruptive events) is of no consequence to barrier performance; and localized corrosion and microbially influenced corrosion are not expected to occur. To facilitate the discussion, Ti Grades 2, 5, 7, 9, 11, 12, 16, 17, 18, and 24 are included in this review.

  17. Nature of Transactions (TI) Code | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    | (NNSA) Nature of Transactions (TI) Code U.S. Department of Energy / U.S. Nuclear Regulatory Commission Nuclear Materials Management & Safeguards System Nature of Transactions (TI) Code* Nature of Transactions (TI) Code* Code: Description: A Initiates lease and financial responsibility of DOE-owned material B Transfer of lease and financial responsiblity of DOE-owned material C Transfer of DOE-owned material with no change in lease or financial responsibility D Return to DOE for credit

  18. Thermoelastic Analysis of a Vibrating TiB/Ti Cantilever Beam Using Differential Thermography

    SciTech Connect (OSTI)

    Byrd, Larry; Wyen, Travis; Byrd, Alex

    2008-02-15

    Differential thermography has been used to detect the fluctuating temperatures due the thermoelastic effect for a number of years. This paper examines functionally graded TiB/Ti cantilever beams excited on an electromechanical shaker in fully reversed bending. Finite difference analysis of specimens was used to look at the effect of heat conduction, convection and the fundamental frequency on the surface temperature distribution and compared to experimental data. The thermoelastic effect was also used to detect cracking and the stress field at the tip of the fixture during fatigue.

  19. Ab initio Study of He Stability in hcp-Ti

    SciTech Connect (OSTI)

    Dai, Yunya; Yang, Li; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao T.

    2010-12-20

    The stability of He in hcp-Ti was studied using ab initio method based on density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms has been used to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.

  20. Cathodic cage plasma deposition of TiN and TiO{sub 2} thin films on silicon substrates

    SciTech Connect (OSTI)

    Sousa, Romulo R. M. de; Sato, Patricia S.; Nascente, Pedro A. P.; Viana, Bartolomeu C.; Alves, Clodomiro; Nishimoto, Akio

    2015-07-15

    Cathodic cage plasma deposition (CCPD) was used for growing titanium nitride (TiN) and titanium dioxide (TiO{sub 2}) thin films on silicon substrates. The main advantages of the CCPD technique are the uniformity, tridimensionality, and high rate of the film deposition that occurs at higher pressures, lower temperatures, and lower treatment times than those used in conventional nitriding treatments. In this work, the influence of the temperature and gas atmosphere upon the characteristics of the deposited films was investigated. The TiN and TiO{sub 2} thin films were characterized by x-ray diffraction, scanning electron microscopy, and Raman spectroscopy to analyze their chemical, structural, and morphological characteristics, and the combination of these results indicates that the low-cost CCPD technique can be used to produce even and highly crystalline TiN and TiO{sub 2} films.

  1. Ferroelectric Self-assembled PbTiO3 Perovskite Nanostructures...

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

    Perovskite Nanostructures onto (100)SrTiO3 Substrates from a Novel Microemulsion-aided Sol-Gel Preparation Figure 1. PbTiO3 nanostructures onto (100) SrTiO3 substrates....

  2. Optimizing optical absorption of TiO{sub 2} by alloying with...

    Office of Scientific and Technical Information (OSTI)

    Title: Optimizing optical absorption of TiOsub 2 by alloying with TiSsub 2 TiOsub 2 is an attractive material for photocatalytic water splitting, but its band gap is too ...

  3. Morphological and phase evolution of TiO{sub 2} nanocrystals prepared from peroxotitanate complex aqueous solution: Influence of acetic acid

    SciTech Connect (OSTI)

    Chang, Jeong Ah; Vithal, Muga; Baek, In Chan; Seok, Sang Il

    2009-04-15

    Nanosized anatase and rutile TiO{sub 2} having different shape, phase and size have been prepared from aqueous solutions of peroxo titanium complex starting from titanium(IV) isopropoxide (TTIP), acetic acid and hydrogen peroxide (H{sub 2}O{sub 2}) in water/isopropanol media by a facile sol-gel process. The TiO{sub 2} nanocrystals are characterized by powder X-ray diffraction (XRD), Raman spectroscopy, FT-IR spectroscopy, TEM, high resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED) techniques. The influence of pH and the sequence of addition of reaction contents on the phase and morphology of TiO{sub 2} are studied. The reasons for the observation of only anatase and/or mixture of anatase and rutile are given. - Graphical abstract: The morphology of TiO{sub 2} depends on the sequence of addition of AcOH and H{sub 2}O{sub 2} from the system of titanium isopropoxide and acetic acid (AcOH) in the presence of H{sub 2}O{sub 2}.

  4. Structure-Curie temperature relationships in BaTiO 3 -based ferroelect...

    Office of Scientific and Technical Information (OSTI)

    ferroelectric perovskites: Anomalous behavior of ( Ba , Cd ) TiO 3 from DFT, ... ferroelectric perovskites: Anomalous behavior of ( Ba , Cd ) TiO 3 from DFT, ...

  5. Effects of hydrochloric acid treatment of TiO{sub 2}nanoparticles...

    Office of Scientific and Technical Information (OSTI)

    Effects of hydrochloric acid treatment of TiOsub 2 nanoparticlesnanofibers bilayer film ... Title: Effects of hydrochloric acid treatment of TiOsub 2 nanoparticlesnanofibers ...

  6. Equation of State Model Quality Study for Ti and Ti64.

    SciTech Connect (OSTI)

    Wills, Ann Elisabet; Sanchez, Jason James

    2015-02-01

    Titanium and the titanium alloy Ti64 (6% aluminum, 4% vanadium and the balance ti- tanium) are materials used in many technologically important applications. To be able to computationally investigate and design these applications, accurate Equations of State (EOS) are needed and in many cases also additional constitutive relations. This report describes what data is available for constructing EOS for these two materials, and also describes some references giving data for stress-strain constitutive models. We also give some suggestions for projects to achieve improved EOS and constitutive models. In an appendix, we present a study of the 'cloud formation' issue observed in the ALEGRA code. This issue was one of the motivating factors for this literature search of available data for constructing improved EOS for Ti and Ti64. However, the study shows that the cloud formation issue is only marginally connected to the quality of the EOS, and, in fact, is a physical behavior of the system in question. We give some suggestions for settings in, and improvements of, the ALEGRA code to address this computational di culty.

  7. A=10B (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 10B) GENERAL: References to articles on general properties of 10B published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 10B located on our website at: (www.tunl.duke.edu/nucldata/General_Tables/10b.shtml). See also Table Prev. Table 10.18 preview 10.18 [Table of Energy Levels] (in PDF or PS). μ = +1.80064475 ± 0.00000057 μN: see (1989RA17); Q = +84.72

  8. A=19B (1995TI07)

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

    95TI07) (Not illustrated) 19B has been observed in the bombardment of Be by 12 MeV/A 56Fe ions (1984MU27) and in the fragmentation of 44 MeV/A 40Ar (1988GU1A) and 55 MeV/A 48Ca (1991MU19). See also (1989DE52). The mass excess adopted by (1993AU05) is 59.360 ± 0.400 MeV. Shell model predictions for low-lying levels are discussed in (1992WA22). See also (1989PO1K, 1990LO11

  9. A=20C (1998TI06)

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

    98TI06) (Not illustrated) 20C has been observed in heavy ion projectile fragmentation reactions (1987GI05, 1990MU06, 1991MU19) and in proton-induced target-fragmentation reactions (1987VI13, 1988MU08, 1993WOZZ). The atomic mass excess is 37.560 ± 0.200 MeV (1995AU04). It is then stable with respect to 19C + n and 18C + 2n by 3.3 and 3.5 MeV, respectively. β-delayed neutron emission has been observed (1987GI05, 1990MU06, 1991MU19). The half life and neutron emission probability have been

  10. A=20N (1998TI06)

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

    98TI06) (Not illustrated) 20N is particle stable. Its atomic mass excess is 21.770 ± 0.050 MeV (1995AU04). It has been observed in heavy-ion transfer (1989OR03) and projectile fragmentation reactions (1987GI05, 1988DUZT, 1988MU08, 1990MU06, 1991OR01) and in target fragmentation reactions (1988WO09, 1991RE02, 1993WOZZ). See also the review (1988VI1D). Mass measurements were reported in (1987GI05, 1988WO09, 1989OR03, 1991OR01, 1993WOZZ). Nuclear matter rms radii have been derived from

  11. A=3He (1987TI07)

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

    1987TI07) GENERAL: Ground State: Jπ = 1/2+, μ = -2.127624 ± 0.0000011 nm, M - A = 14.93132 ± 0.00003 MeV. General properties of the ground state of the A = 3 system are under 3H above. The wave function is predominantly S-state (~ 90%) with S'-state (1 - 2%) and D-state (~ 9%) admixtures (1975FI08, 1980PA12, 1984CI05, 1984CI09). For 3He the measured magnetic moment is μ = -2.127624 ± 0.0000011 nm (1978LEZA, 1978NE12). Calculations which include both impulse and pion exchange contributions

  12. A=3Li (1987TI07)

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

    1987TI07) GENERAL: The previous compilation (1975FI08) listed a small number of references reporting on the four reactions discussed below. Only one of the experiments cited contained any evidence for a 3p resonance, and the discussion suggested that the observed enhancement in 3He(p, n) was more likely a final state interaction. In the work reported since (1975FI08) and listed below, only (1974POZN) contains any mention of the tri-proton, and no evidence for its existence was observed. 1. 2H(p,

  13. A=4HE (1992TI02)

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

    He (1992TI02) (See Energy Level Diagrams for 4He) GENERAL: Ground state:Due to non-central forces, the wave function for the Jπ = 0+ ground state of 4He can be a positive-parity mixture of three 1S0, six 3P0, and five 5D0 orthogonal states (1967BE74). Of course, the symmetric S-wave component is the dominant part of the wavefunction, with significant D-wave and almost negligible P-wave contributions. Since the D-state admixture can be inferred from measurements such as the tensor analyzing

  14. A=4Li (1992TI02)

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

    Li (1992TI02) (See Energy Level Diagrams for 4Li) GENERAL: The stability of 8B against particle decay (1988AJ01), in particular against decay into 4He + 4Li, sets an upper limit of 1.7 MeV on the separation energy of 4Li into p + 3He (1952SH44). The instability of 4H against particle decay (see 4H, GENERAL section) makes the particle stability of 4Li very unlikely, since the Coulomb energy of 4Li is approximately 1.7 MeV larger than that of 4H (1963WE10), and the nuclear energies should be

  15. A=5H (2002TI10)

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

    2002TI10) (Not illustrated) See also the A = 5 introductory discussion titled A = 5 resonance parameters. The previous review (1988AJ01) noted that the 9Be(11B, 15O) reaction at E(11B) = 52 - 76 MeV showed no evidence for the formation of 5H (1986BE35, 1987BO40). For the earlier work see (1984AJ01). See also (1987KO47, 1988SEZJ). In several experiments on π- absorption at rest there is some evidence for the formation of a very broad (8 ± 3 MeV) resonance in the 5H system with Er = 7.4 ± 0.7

  16. A=5He (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 5He) GENERAL: References to articles on general properties of 5He published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 5He located on our website at (www.tunl.duke.edu/NuclData/General_Tables/5he.shtml). See also Table Prev. Table 5.1 preview 5.1 [Table of Energy Levels] (in PDF or PS). See also the A = 5 introductory discussion titled A = 5 resonance

  17. A=5Li (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 5Li) GENERAL: References to articles on general properties of 5Li published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 5Li located on our website at (www.tunl.duke.edu/NuclData/General_Tables/5li.shtml). See also Table Prev. Table 5.3 preview 5.3 [Table of Energy Levels] (in PDF or PS). See also the A = 5 introductory discussion titled A = 5 resonance

  18. A=6Be (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 6Be) GENERAL: References to articles on general properties of 6Be published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 6Be located on our website at (www.tunl.duke.edu/NuclData/General_Tables/6be.shtml). See also Table Prev. Table 6.14 preview 6.14 [Table of Energy Levels] (in PDF or PS). 1. (a) 3He(3He, γ)6Be Qm = 11.4884 (b) 3He(3He, p)5Li Qm = 11.17

  19. A=6He (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 6He) GENERAL: References to articles on general properties of 6He published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 6He located on our website at (www.tunl.duke.edu/NuclData/General_Tables/6he.shtml). See also Table Prev. Table 6.1 preview 6.1 [Table of Energy Levels] (in PDF or PS). Ground State Properties: The interaction radius of 6He, obtained

  20. A=6Li (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 6Li) GENERAL: References to articles on general properties of 6He published since the previous review (1988AJ01) are grouped into categories and isted, along with brief descriptions of each item, in the General Tables for 6Li located on our website at (www.tunl.duke.edu/NuclData/General_Tables/6li.shtml). See also Table Prev. Table 6.4 preview 6.4 [Table of Energy Levels] (in PDF or PS). Ground State Properties: μ = +0.8220473(6) nm, +0.8220567(3) nm:

  1. A=6n (2002TI10)

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

    2002TI10) (Not illustrated) 6n has not been observed. See (1979AJ01, 1988AJ01) and references cited there. More recently (1990AL40) reports a search for 6n in a 14C(7Li, 6n) activation experiment at E(7Li) = 82 MeV. No evidence for 6n was obtained. The method of angular potential functions was used by (1989GO18) in a calculation of the properties of multi-neutron systems which indicated that these systems have no bound states. The ground state energy of a six-neutron drop has been computed with

  2. A=7Be (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 7Be) GENERAL: References to articles on general properties of 7Be published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 7Be located on our website at (www.tunl.duke.edu/NuclData/General_Tables/7be.shtml). See also Table Prev. Table 7.7 preview 7.7 [Table of Energy Levels] (in PDF or PS). The interaction nuclear radius of 7Be is 2.22 ± 0.02 fm

  3. A=7He (2002TI10)

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

    2002TI10) (See Energy Level Diagrams for 7He) GENERAL: References to articles on general properties of 7He published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 7He located on our website at (www.tunl.duke.edu/NuclData/General_Tables/7he.shtml). See also Table Prev. Table 7.1 preview 7.1 [Table of Energy Levels] (in PDF or PS). Mass of 7He: The atomic mass excess of 7He is 26.11 ± 0.03 MeV:

  4. A=8B (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 8B) GENERAL: References to articles on general properties of 8B published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 8B located on our website at (www.tunl.duke.edu/nucldata/General_Tables/8b.shtml). See also Table Prev. Table 8.15 preview 8.15 [Table of Energy Levels] (in PDF or PS). μ = 1.0355 ± 0.0003 μN: see (1996FIZY). Q = 68.3 ± 2.1 mb

  5. A=8He (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 8He) GENERAL: References to articles on general properties of 8He published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 8He located on our website at (www.tunl.duke.edu/nucldata/General_Tables/8he.shtml). See also Table Prev. Table 8.1 preview 8.1 [Table of Energy Levels] (in PDF or PS). Mass of 8He: The atomic mass excess of 8He adopted by us and by

  6. A=9B (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 9B) GENERAL: References to articles on general properties of 9B published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 9B located on our website at (www.tunl.duke.edu/nucldata/General_Tables/9b.shtml). See also Table Prev. Table 9.13 preview 9.13 [Table of Energy Levels] (in PDF or PS). The low-lying levels of 9B have mainly [441] spatial symmetry and

  7. A=9Be (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 9Be) GENERAL: References to articles on general properties of 9Be published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 9Be located on our website at (www.tunl.duke.edu/nucldata/General_Tables/9be.shtml). See also Table Prev. Table 9.2 preview 9.2 [Table of Energy Levels] (in PDF or PS). μ = -1.1778 ± 0.0009 μN: see (1978LEZA); Q = 52.88 ± 0.38 mb:

  8. A=9C (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 9C) GENERAL: References to articles on general properties of 9C published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 9C located on our website at (www.tunl.duke.edu/nucldata/General_Tables/9c.shtml). See also Table Prev. Table 9.16 preview 9.16 [Table of Energy Levels] (in PDF or PS). Ground state properties: μ = -1.3914 ± 0.0005 μN (1996MA38). See

  9. A=9He (2004TI06)

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

    2004TI06) (See the Isobar Diagram for 9He) GENERAL: References to articles on general properties of 9He published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 9He located on our website at (www.tunl.duke.edu/nucldata/General_Tables/9he.shtml). Mass of 9He: Although the value adopted in the 2003 Atomic Mass Evaluation (2003AU02) for the 9He ground state is 40.939 ± 0.029 MeV based on the results

  10. A=9Li (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 9Li) GENERAL: References to articles on general properties of 9Li published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 9Li located on our website at (www.tunl.duke.edu/nucldata/General_Tables/9li.shtml). See also Table Prev. Table 9.1 preview 9.1 [Table of Energy Levels] (in PDF or PS). Ground state properties: μ = 3.4391 ± 0.0006 μN (1983CO11). See

  11. A=9N (2004TI06)

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

    2004TI06) (Not illustrated) Not observed: see (1988AJ01). Mass excesses of 46.56 and 46.40 MeV have been estimated from two different mass formulae (2000PO32). 9N would then be proton unbound by ~ 4 MeV. However, mass formulae neither take into account the fact that the last occupied orbit(s) may change near the drip lines nor the fact that an extended low-l orbit leads to a lowered Coulomb energy. The suggested s-wave ground-state of 9He and a Coulomb energy estimated from the 11N ground state

  12. Role of pH in metal adsorption from aqueous solutions containing chelating agents on chitosan

    SciTech Connect (OSTI)

    Wu, F.C.; Tseng, R.L.; Juang, R.S.

    1999-01-01

    The role of pH in adsorption of Cu(II) from aqueous solutions containing chelating agents on chitosan was emphasized. Four chelating agents including ethylenediaminetetraacetic acid (EDTA), citric acid, tartaric acid, and sodium gluconate were used. It was shown that the adsorption ability of Cu(II) on chitosan from its chelated solutions varied significantly with pH variations. The competition between coordination of Cu(II) with unprotonated chitosan and electrostatic interaction of the Cu(II) chelates with protonated chitosan took place because of the change in solution pH during adsorption. The maximum adsorption capacity was obtained within each optimal pH range determined from titration curves of the chelated solutions. Coordination of Cu(II) with the unprotonated chitosan was found to dominate at pH below such an optimal pH value.

  13. Microfluidic device having an immobilized pH gradient and page gels for

    Office of Scientific and Technical Information (OSTI)

    protein separation and analysis (Patent) | SciTech Connect device having an immobilized pH gradient and page gels for protein separation and analysis Citation Details In-Document Search Title: Microfluidic device having an immobilized pH gradient and page gels for protein separation and analysis Disclosed is a novel microfluidic device enabling on-chip implementation of a two-dimensional separation methodology. Previously disclosed microscale immobilized pH gradients (IPG) are combined with

  14. ORISE: Recent Ph.D. recipients wanted for Energy Efficiency and...

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

    Recent Ph.D. recipients wanted for Energy Efficiency and Renewable Energy Research Awards Applications being accepted through the end of April FOR IMMEDIATE RELEASE March 4, 2014...

  15. Influence of in vitro assay pH and chyme composition on As bioaccessib...

    Office of Scientific and Technical Information (OSTI)

    Title: Influence of in vitro assay pH and chyme composition on As bioaccessibility in contaminated soils Authors: Smith, Euan ; Scheckel, Kirk ; Miller, Bradley W. ; Weber, John ; ...

  16. High Temperature Chemical Sensing Tool: Preliminary pH and reference electrode test results

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

    Grzegorz Cieslewski

    2014-09-30

    Project: High Temperature Chemical Sensing Tool for Distributed Mapping of Fracture Flow in EGS. Preliminary pH and reference electrode test results.

  17. Kathryn Clay, Ph.D. Vice President of Policy Strategy American...

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

    Remarks of Kathryn Clay, Ph.D. Vice President of Policy Strategy American Gas Association PUBLIC MEETING ON ENERGY INFRASTRUCTURE SITING DEPARTMENT OF ENERGY QUADRENNIAL ENERGY ...

  18. Influence of pH and sequence in peptide aggregation via molecular simulation

    SciTech Connect (OSTI)

    Enciso, Marta; Schütte, Christof; Delle Site, Luigi

    2015-12-28

    We employ a recently developed coarse-grained model for peptides and proteins where the effect of pH is automatically included. We explore the effect of pH in the aggregation process of the amyloidogenic peptide KTVIIE and two related sequences, using three different pH environments. Simulations using large systems (24 peptides chains per box) allow us to describe the formation of realistic peptide aggregates. We evaluate the thermodynamic and kinetic implications of changes in sequence and pH upon peptide aggregation, and we discuss how a minimalistic coarse-grained model can account for these details.

  19. PhD Comics' guide to fusion makes the complex understandable | Princeton

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

    Plasma Physics Lab PhD Comics' guide to fusion makes the complex understandable By Jeanne Jackson DeVoe June 12, 2014 Tweet Widget Google Plus One Share on Facebook A scene from PhD Comics' Jorge Cham's video "What is Fusion" features interviews with PPPL physicists on location and employs animation to allow the scientists to explain magnetic fusion. (Photo by PhD Comics, www.phdcomics.com/TV) A scene from PhD Comics' Jorge Cham's video "What is Fusion" features

  20. Thomas D. Foust, Ph.D, P.E. | Bioenergy | NREL

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

    Thomas D. Foust, Ph.D, P.E. Director, National Bioenergy Center Thomas.Foust@nrel.gov | ... Affiliated Research Programs United Nations Bioenergy and Sustainability Assessment ...

  1. Fabrication of TiO{sub 2} Thick Film for Photocatalyst from Commercial TiO{sub 2} Powder

    SciTech Connect (OSTI)

    Asteti, S. Fuji; Syarif, D. Gustaman

    2008-03-17

    Photocatalytic activity of TiO{sub 2} thick film ceramics made of commercial TiO{sub 2} powder has been studied. The TiO{sub 2} powder was nano sized one that was derived from dried TiO{sub 2} suspension. The TiO{sub 2} suspension was made by pouring some blended commercial TiO{sub 2} powder into some amount of water. The paste of TiO{sub 2} was made by mixing the nano sized TiO{sub 2} powder with organic vehicle and glass frit. The paste was spread on a glass substrate. The paste was dried at 100 deg. C and heated at different temperatures (400 deg. C and 500 deg. C) for 60 minutes to produce thick film ceramics. The photocatalytic activity of these films was evaluated by measuring the concentration of a solution of methylene blue where the thick films were inside after being illuminated by UV light at various periods of times. The initial concentration of the methylene blue solution was 5 ppm. Structural analyses were carried out by X-ray diffraction (XRD). The XRD analyses showed that the produced thick film ceramic had mainly crystal structure of anatase. According to the photocatalytical data, it was known that the produced thick film ceramics were photocatalyst which were capable of decomposing an organic compound such as the methylene blue.

  2. Electrostatic carrier doping of GdTiO{sub 3}/SrTiO{sub 3} interfaces

    SciTech Connect (OSTI)

    Moetakef, Pouya; Cain, Tyler A.; Zhang, Jack Y.; Janotti, Anderson; Van de Walle, Chris G.; Stemmer, Susanne; Ouellette, Daniel G.; Allen, S. James; Klenov, Dmitri O.; Rajan, Siddharth

    2011-12-05

    Heterostructures and superlattices consisting of a prototype Mott insulator, GdTiO{sub 3}, and the band insulator SrTiO{sub 3} are grown by molecular beam epitaxy and show intrinsic electronic reconstruction, approximately 1/2 electron per surface unit cell at each GdTiO{sub 3}/SrTiO{sub 3} interface. The sheet carrier densities in all structures containing more than one unit cell of SrTiO{sub 3} are independent of layer thicknesses and growth sequences, indicating that the mobile carriers are in a high concentration, two-dimensional electron gas bound to the interface. These carrier densities closely meet the electrostatic requirements for compensating the fixed charge at these polar interfaces. Based on the experimental results, insights into interfacial band alignments, charge distribution, and the influence of different electrostatic boundary conditions are obtained.

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

    SciTech Connect (OSTI)

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

    2013-01-15

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

  4. Development of Ti/Ti{sub 3}Sn functionally gradient material produced by eutectic bonding method

    SciTech Connect (OSTI)

    Kirihara, S.; Takeda, M.; Tsujimoto, T. [Ibaraki Univ., Hitachi (Japan). Faculty of Engineering] [Ibaraki Univ., Hitachi (Japan). Faculty of Engineering

    1996-07-15

    Although many materials which have a single function have been developed, future needs are anticipated to include materials which have various functions. A functionally gradient material (FGM) which has characteristics of two different materials is a promising candidate for multi-functional material. The present methods for production of FGM, however, are very complicated and costly. In this study the authors answer the serious problem of high production cost by fabricating the FGM by a eutectic bonding method. This fabrication method includes structural control of FGM by changing the cooling process. They describe Ti/Ti{sub 3}Sn FGM obtained by the eutectic bonding method, and tell how the structure of its composition gradient part is changed by controlling the cooling process.

  5. Application of Ti-alloys as compressor discs and blades

    SciTech Connect (OSTI)

    Helm, D.

    1999-07-01

    Ti-alloys are widely used as materials for compressor discs, blades, vanes and housings in modern aero-engines due to their excellent strength-to-weight ratio. Their high corrosion resistance and good weldability are additional factors for their application as main compressor components. A variety of different Ti-alloys have been developed in recent years and introduced into jet engines in order to fulfill the large spectrum of required mechanical properties. The main topic of the present paper is to describe the correlation between essential microstructural features of a number of Ti-alloys for compressor disc and blade applications and such mechanical properties as strength, creep and fatigue resistance, fracture toughness, and crack propagation behavior. It will be shown that for different engine requirements the choice of the suitable alloy, as well as tailoring of microstructural features with the aim to achieve an optimized balance of relevant mechanical properties, is necessary. The influence of thermomechanical treatment on morphology and dimensions of phases, and the resulting correlation to mechanical properties, will be discussed in detail for selected Ti-alloys, i.e., Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo and IMI 834 (Ti-5.8Al-4Sn-3.5Zr-0.5Mo-0.7Nb-0.35Si-0.06C). Additionally, effects of surface conditions caused by surface treatment (shot peening) or by service exposure (surface oxidation) will be presented.

  6. With 400th Ph.D. grad, UW-Madison celebrates a half century of fusion

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

    energy | Princeton Plasma Physics Lab With 400th Ph.D. grad, UW-Madison celebrates a half century of fusion energy American Fusion News Category: U.S. Universities Link: With 400th Ph.D. grad, UW-Madison celebrates a half century of fusion energy

  7. Method and apparatus for maintaining the pH in zinc-bromine battery systems

    DOE Patents [OSTI]

    Grimes, Patrick G.

    1985-09-10

    A method and apparatus for maintaining the pH level in a zinc-bromine battery features reacting decomposition hydrogen with bromine in the presence of a catalyst. The catalyst encourages the formation of hydrogen and bromine ions. The decomposition hydrogen is therefore consumed, alloying the pH of the system to remain substantially at a given value.

  8. Consideration of factors affecting strip effluent pH and sodium content

    SciTech Connect (OSTI)

    Peters, T. B.

    2015-07-29

    A number of factors were investigated to determine possible reasons for why the Strip Effluent (SE) can sometimes have higher than expected pH values and/or sodium content, both of which have prescribed limits. All of the factors likely have some impact on the pH values and Na content.

  9. Nondestructive evaluation of Ni-Ti shape memory alloy

    SciTech Connect (OSTI)

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

    2011-06-23

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

  10. A=16B (1993TI07)

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

    93TI07) (Not illustrated) This nucleus has not been observed in the 4.8 GeV proton bombardment of a uranium target. It is particle unstable. Its mass excess is predicted to be 37.97 MeV; it would then be unstable with respect to decay into 15B + n by 0.93 MeV. See (1985WA02, 1986AJ04). The ground state is predicted to have Jπ = 0- and the first three excited states are predicted to lie at 0.95, 1.10, and 1.55 MeV [Jπ = 2-, 3-, 4-] in a (0 + 1)ℏω space shell model calculation. See (1983ANZQ,

  11. A=16C (1993TI07)

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

    93TI07) (See Energy Level Diagrams for 16C) GENERAL: See Table Prev. Table 16.1 preview 16.1 [General Table] (in PDF or PS) and Table Prev. Table 16.2 preview 16.2 [Table of Energy Levels] (in PDF or PS) here. 1. 16C(β-)16N Qm = 8.012 The half life of 16C is 0.747 ± 0.008 sec. It decays to 16N*(0.12, 3.35, 4.32) [Jπ = 0-, 1+, 1+]: see Table Prev. Table 16.3 preview 16.3 (in PDF or PS) and (1993CH06). See also (1986AJ04) and see (1986KI05, 1988WA1E, 1992WA1L) for theoretical discussions of

  12. A=16Ne (1993TI07)

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

    93TI07) (See the Isobar Diagram for 16Ne) GENERAL: See Table Prev. Table 16.29 preview 16.29 [General Table] (in PDF or PS) and Table Prev. Table 16.32 preview 16.32 [Table of Energy Levels] (in PDF or PS). Mass of 16Ne: The Q-values of the 20Ne(α, 8He) and 16O(π+, π-) reactions lead to atomic mass excesses of 23.93 ± 0.08 MeV (1978KE06), 23.978 ± 0.024 MeV (1983WO01) and 24.048 ± 0.045 MeV (1980BU15) [recalculated using the (1985WA02) masses for 8He, 16O and 20Ne]. The weighted mean is

  13. A=17Ne (1993TI07)

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

    93TI07) (See the Isobar Diagram for 17Ne) GENERAL: See Table Prev. Table 17.26 preview 17.26 [Table of Energy Levels] (in PDF or PS). 1. (a) 17Ne(β+)17F* → 16O + p Qm = 13.928 (b) 17Ne(β+)17F → 13N + α Qm = 8.711 (c) 17Ne(β+)17F Qm = 14.529 The half-life of 17Ne has been reported as 109.0 ± 1.0 msec (1971HA05) and 109.3 ± 0.6 msec (1988BO39): the weighted mean is 109.2 ± 0.6 and we adopt it. The decay is primarily to the proton unstable states of 17F at 4.65, 5.49, 6.04 and 8.08 MeV

  14. A=18B (1995TI07)

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

    95TI07) (Not illustrated) 18B has not been observed in the bombardment of Ta by 44 MeV/A Ar ions (1985DE60, 1985LA03, 1986PO13) or in the bombardment of Be by 12 MeV/A 56Fe ions (1984MU27). 18B has been predicted to have a mass excess of 52.3 MeV (1993AU05). It would then be unstable with respect to 17B + n by 0.5 MeV: see (1978AJ03, 1985WA02). 18B is calculated to have Jπ = 4- and to have excited states at 0.62, 0.86 and 1.59 MeV with Jπ = 1-, 2- and 2- (1985PO10).The shell model calculations

  15. A=18F (1995TI07)

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

    95TI07) (See Energy Level Diagrams for 18F) GENERAL: See Table Prev. Table 18.23 preview 18.23 [General Table] (in PDF or PS) and Table Prev. Table 18.24 preview 18.24 [Table of Energy Levels] (in PDF or PS). μ1.12 = +2.86 ± 0.03 nm [see (1983AJ01)] Q1.12 = 0.13 ± 0.03 b [see (1983AJ01)]. 1. 18F(β+)18O Qm = 1.655 The positron decay is entirely to the ground state of 18O [Jπ = 0+, T = 1]; the half-life is 109.77 ± 0.05 min [see Table Prev. Table 18.11 preview 18.11 (in PDF or PS) in

  16. A=18N (1995TI07)

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

    95TI07) (See Energy Level Diagrams for 18N) GENERAL: See Table Prev. Table 18.3 preview 18.3 [General Table ] (in PDF or PS) and Table Prev. Table 18.4 preview 18.4 [Table of Energy Levels] (in PDF or PS). Mass of 18N: The atomic mass excess derived from the Q-value of the 18O(7Li, 7Be)18N reaction and adopted by (1993AU05) is 13.117 ± 0.020 MeV (1983PU01). 18N is then stable with respect to breakup into 17N + n by 2.825 MeV. See (1983AJ01) for the earlier work. 1. 18N(β-)18O Qm = -13.899 The

  17. A=18Ne (1995TI07)

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

    95TI07) (See Energy Level Diagrams for 18Ne) GENERAL: See Table Prev. Table 18.35 preview 18.35 [General Table] (in PDF or PS) and Table Prev. Table 18.36 preview 18.36 [Table of Energy Levels] (in PDF or PS). For B(E2) of 18Ne*(1.89) and other parameters see (1987RA01) and Table Prev. Table 2 preview 2 in the Introduction. 1. 18Ne(β+)18F Qm = 4.446 The half-life of 18Ne is 1672 ± 8 ms: see (1978AJ03) and (1983AD03). The decay is primarily to 18F*(0, 1.04, 1.70 MeV). In addition there is an

  18. A=19C (1995TI07)

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

    95TI07) (See the Isobar Diagram for 19C) 19C has been observed in the 0.8 GeV proton bombardment of thorium (1986VI09, 1988WO09) and in the fragmentation of 66 MeV/A argon ions (1987GI05) and in 44 MeV/A 22Ne on 181Ta, and in 112 MeV/A 20Ne on 12C (1994RAZW, 1995OZ02). The mass excess adopted by (1993AU05) is 32.23 ± 0.11 MeV. See also (1986VI09, 1987GI05, 1988WO09, 1991OR01). 19C is then stable with respect to decay into 18C + n by 0.16 MeV and into 17C + 2n by 4.35 MeV. The half-life was

  19. A=19N (1995TI07)

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

    95TI07) (See the Isobar Diagram for 19N) 19N has been produced in a number of different multinucleon transfer reactions (1983AJ01, 1987AJ02), and these results lead to an adopted value (1993AU05) of 15.860 ± 0.016 MeV for the mass excess. 19N is then stable with respect to decay into 18N + n by 5.33 MeV. The half-life has been measured to be 0.32 ± 0.10 s (1986DU07), 0.21+0.2-0.1 s (1988MU08), 0.235 ± 0.032 s (1988SA04), 0.300 ± 0.080 s (1988DUZT), 0.329 ± 0.019 s (1991RE02). The neutron

  20. A=19Na (1995TI07)

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

    95TI07) (See the Isobar Diagram for 19Na) This nucleus was observed in the 24Mg(p, 6He)19Na reaction at Ep = 54.7 MeV (1969CE01). A study via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.929 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 321 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38, 1993AU05). See also (1987AJ02) and (1987PO01, 1987SA24, 1988CO15, 1990PO04, 1992AV03

  1. A=19Ne (1995TI07)

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

    95TI07) (See Energy Level Diagrams for 19Ne) GENERAL: See Table Prev. Table 19.26 preview 19.26 [General Table] (in PDF or PS) and Table Prev. Table 19.27 preview 19.27 [Table of Energy Levels] (in PDF or PS) here. μg.s. = -1.88542 (8) nm (1982MA39) μ0.239 = -0.740 (8) nm (1978LEZA) 1. 19Ne(β+)19F Qm = 3.238 We adopt the half-life of 19Ne suggested by (1983AD03): 17.34 ± 0.09 s. See also (1978AJ03). The decay is principally to 19Fg.s.: see Table Prev. Table 19.29 preview 19.29 (in PDF or

  2. A=19O (1995TI07)

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

    95TI07) (See Energy Level Diagrams for 19O) GENERAL: See Table Prev. Table 19.1 preview 19.1 [General Table] (in PDF or PS) and Table Prev. Table 19.2 preview 19.2 [Table of Energy Levels] (in PDF or PS) here. 1. 19O(β-)19F Qm = 4.819 The weighted mean of several half-lives is 26.96 ± 0.07 s: see (1972AJ02, 1987AJ02). The decay is complex: see reaction 34 of 19F and Table Prev. Table 19.23 preview 19.23 (in PDF or PS) and Table Prev. Table 19.24 preview 19.24 (in PDF or PS). 2. 9Be(18O,

  3. A=20F (1998TI06)

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

    98TI06) (See Energy Level Diagrams for 20F) GENERAL: See Table Prev. Table 20.4 preview 20.4 [General Table] (in PDF or PS) and Table Prev. Table 20.5 preview 20.5 [Table of Energy Levels] (in PDF or PS) here. μ = +2.0935 (9) nm (1989RA17) Q = -0.042 (3) b (1989RA17) 1. 20F(β-)20Ne Qm = 7.025 The half-life of 20F is (11.163 ± 0.008) s (1992WA04), (11.11 ± 0.04) s (1995IT1C). For earlier measurements see (1987AJ02). 20F decays principally to 20Ne*(1.63): see 20Ne, reaction 37. 2. (a) 6Li(15N,

  4. A=20Mg (1998TI06)

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

    98TI06) (See the Isobar Diagram for 20Mg) 20Mg has been populated in the 24Mg(α, 8He) reaction at Eα = 127 and 156 MeV, in the 20Ne(3He, 3n) reaction at E(3He) = 70 MeV, and more recently in projectile fragmentation reactions. Reviews of proton rich nuclei and methods of production are presented in (1989AYZU, 1993SO13). See also (1990PO04). The super-allowed decay of 20Mg to the first T = 2 (Jπ = 0+) state of 20Na [Ex = 6.534 ± 0.013 MeV (1995PI03)] has been reported in early work (1979MO02,

  5. A=20Na (1998TI06)

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

    98TI06) (See Energy Level Diagrams for 20Na) GENERAL: See Table Prev. Table 20.32 preview 20.32 [General Table] (in PDF or PS) and Table Prev. Table 20.33 preview 20.33 [Table of Energy Levels] (in PDF or PS) here. μ = 0.3694 ± 0.0002 nm (1975SC20, 1989RA17) 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table Prev. Table 20.31 preview 20.31 (in PDF or PS) and reaction 59 in 20Ne. The half-life of 20Na is 447.9

  6. A=20O (1998TI06)

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

    98TI06) (See Energy Level Diagrams for 20O) GENERAL: See Table Prev. Table 20.1 preview 20.1 [General Table] (in PDF or PS) and Table Prev. Table 20.2 preview 20.2 [Table of Energy Levels] (in PDF or PS) here. 1. 20O(β-)20F Qm = 3.814 20O decays with a half-life of 13.51 ± 0.05 s to the 1+ states 20F*(1.06, 3.49) with branching ratios (99.973 ± 0.003) and (0.027 ± 0.003)%, log f0t = 3.740 ± 0.006 and 3.65 ± 0.06, respectively (1987AL06). Upper limits for the branching to other states of

  7. A=3H (1987TI07)

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

    1987TI07) (Not illustrated) GENERAL: Ground State: Jπ = 1/2+, μ = 2.978960 ± 0.000001 nm, M - A = 14.94991 ± 0.00003 MeV. The wave function for the triton bound state is calculated to be mostly S-state (~ 90%) with S'-state (~ 1%) and D-state (~ 9%) admixtures depending on the potentials used (1979SA15, 1986IS06). See also (1980HA10, 1980LO091983FR19, 1984CI05, 1984CI09, 1984MU23). The measured magnetic moment for 3H is μ = 2.978960 ± 0.000001 nm (1978LEZA). Calculations which include both

  8. A=4n (1992TI02)

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

    4n (1992TI02) GENERAL: The stability of 8He (1968BA48, 1968ME03, 1973FI04, 1988AJ01) sets an upper limit to the total binding energy of 4n, because the decay 8He → 4He + 4n does not occur (1964GO1B, 1964GO25). The most precisely determined mass excess of 8He (1988WA18) yields B(4n) ≤ 3.1 MeV. Noting that in all known nuclei the proton binding energy increases when two neutrons are added, (1964VL1A) show that B(4n) < -Q, where Q is the decay energy for 5H → 3H + 2n. Since Q > 0

  9. A=7B (2002TI10)

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

    2002TI10) (See the Isobar Diagram for 7B) The mass excess of 7B adopted by (1997AU04) is 27.870 ± 0.070 MeV. It was obtained by averaging the values of 27.94 ± 0.10 MeV from the 10B(3He, 6He)7B reaction (1967MC14, 1988AJ01) and the value 27.800 ± 0.10 MeV obtained in the 7Li(π+, π-)7B reaction (1981SE1B). The width of the ground state is Γ = 1.4 ± 0.2 MeV: see (1967MC14, 1988AJ01). 7B is unbound with respect to 6Be + p, 5Li + 2p and 4He + 3p by 2.21, 1.61 and 3.38 MeV, respectively. The

  10. A=7H (2002TI10)

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

    2002TI10) (Not illustrated) 7H has not been observed. Attempts have been made to detect it in the spontaneous fission of 252Cf (1982AL33) and in the 7Li(π-, π+) reaction [see (1984AJ01)]. A study of 9Be(π-, 2p) (1987GO25) found no evidence for 7H. See also the review of (1989OG1B) and the 7Li(π-, π+) investigation reported in (1989GR06). The ground state is calculated to have Jπ = 1/2+ and to be unstable with respect to 1n, 2n, 3n and 4n emission. Excited states are predicted at 4.84, 5.00

  11. A=8Be (2004TI06)

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

    2004TI06) (See Energy Level Diagrams for 8Be) GENERAL: References to articles on general properties of 8Be published since the previous review (1988AJ01) are grouped into categories and listed, along with brief descriptions of each item, in the General Tables for 8Be located on our website at (www.tunl.duke.edu/nucldata/General_Tables/8be.shtml). See also Table Prev. Table 8.9 preview 8.9 [Table of Energy Levels] (in PDF or PS). 1. 8Be → 4He4He Qm = 0.0918 Γcm for 8Beg.s. = 5.57 ± 0.25 eV:

  12. A=8C (2004TI06)

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

    2004TI06) (See the Isobar Diagram for 8C) Mass of 8C: The atomic mass excess of 8C is 35094 ± 23 keV (2003AU03); Γcm = 230 ± 50 keV [Jπ = 0+; T = 2]: see (1979AJ01). 8C is stable with respect to 7B + p (Q = -0.07 MeV) and unstable with respect to 6Be + 2p (Q = 2.14), 5Li + 3p (Q = 1.55) and 4He + 4p (Q = 3.51). At E(3He) = 76 MeV the differential cross section for formation of 8Cg.s. in the 14N(3He, 9Li) reaction is ~ 5 nb/sr at θlab = 10°. The 12C(α, 8He)8C reaction has been studied at

  13. Modeling and experimental studies of oxide covered metal surfaces: TiO{sub 2}/Ti a model system. Progress report

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-12-31

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  14. Modeling and experimental studies of oxide covered metal surfaces: TiO sub 2 /Ti a model system

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-01-01

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  15. Photoinduced electron transfer in perylene-TiO2 nanoassemblies

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

    ABSTRACT: The photosensitization effect of three perylene dye derivatives on titanium dioxide nanoparticles (TiO2 NPs) has been investigated. The dyes used, 1,7-dibromoperylene-3,4...

  16. TI--CR--AL--O thin film resistors

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2000-01-01

    Thin films of Ti--Cr--Al--O are used as a resistor material. The films are rf sputter deposited from ceramic targets using a reactive working gas mixture of Ar and O.sub.2. Resistivity values from 10.sup.4 to 10.sup.10 Ohm-cm have been measured for Ti--Cr--Al--O film <1 .mu.m thick. The film resistivity can be discretely selected through control of the target composition and the deposition parameters. The application of Ti--Cr--Al--O as a thin film resistor has been found to be thermodynamically stable, unlike other metal-oxide films. The Ti--Cr--Al--O film can be used as a vertical or lateral resistor, for example, as a layer beneath a field emission cathode in a flat panel display; or used to control surface emissivity, for example, as a coating on an insulating material such as vertical wall supports in flat panel displays.

  17. Origin of the instability of octadecylamine Langmuir monolayer at low pH

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

    Avazbaeva, Zaure; Sung, Woongmo; Lee, Jonggwan; Phan, Minh Dinh; Shin, Kwanwoo; Vaknin, David; Kim, Doseok

    2015-11-30

    In this paper, it has been reported that an octadecylamine (ODA) Langmuir monolayer becomes unstable at low pH values with no measurable surface pressure at around pH 3.5, suggesting significant dissolution of the ODA molecule into the subphase solution (Albrecht, Colloids Surf. A 2006, 284–285, 166–174). However, by lowering the pH further, ODA molecules reoccupy the surface, and a full monolayer is recovered at pH 2.5. Using surface sum-frequency spectroscopy and pressure–area isotherms, it is found that the recovered monolayer at very low pH has a larger area per molecule with many gauche defects in the ODA molecules as comparedmore » to that at high pH values. This structural change suggests that the reappearance of the monolayer is due to the adsorbed Cl– counterions to the protonated amine groups, leading to partial charge neutralization. This proposition is confirmed by intentionally adding monovalent salts (i.e., NaCl, NaBr, or NaI) to the subphase to recover the monolayer at pH 3.5, in which the detailed structure of the monolayer is confirmed by sum frequency spectra and the adsorbed anions by X-ray reflectivity.« less

  18. Origin of the instability of octadecylamine Langmuir monolayer at low pH

    SciTech Connect (OSTI)

    Avazbaeva, Zaure; Sung, Woongmo; Lee, Jonggwan; Phan, Minh Dinh; Shin, Kwanwoo; Vaknin, David; Kim, Doseok

    2015-11-30

    In this paper, it has been reported that an octadecylamine (ODA) Langmuir monolayer becomes unstable at low pH values with no measurable surface pressure at around pH 3.5, suggesting significant dissolution of the ODA molecule into the subphase solution (Albrecht, Colloids Surf. A 2006, 284–285, 166–174). However, by lowering the pH further, ODA molecules reoccupy the surface, and a full monolayer is recovered at pH 2.5. Using surface sum-frequency spectroscopy and pressure–area isotherms, it is found that the recovered monolayer at very low pH has a larger area per molecule with many gauche defects in the ODA molecules as compared to that at high pH values. This structural change suggests that the reappearance of the monolayer is due to the adsorbed Cl– counterions to the protonated amine groups, leading to partial charge neutralization. This proposition is confirmed by intentionally adding monovalent salts (i.e., NaCl, NaBr, or NaI) to the subphase to recover the monolayer at pH 3.5, in which the detailed structure of the monolayer is confirmed by sum frequency spectra and the adsorbed anions by X-ray reflectivity.

  19. Martensite transformation of epitaxial Ni-Ti films

    SciTech Connect (OSTI)

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

    2011-05-09

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

  20. T.M. Bull Bennett, PhD | Department of Energy

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

    T.M. Bull Bennett, PhD About Us T.M. Bull Bennett, PhD T.M. Bull Bennett, PhD Dr. T. M. Bull Bennett (Mi'kmaq), was born in Brunswick, ME, and grew up in the mountains and prairies of Wyoming. As an undergraduate he studied field ecology earning a BS in Biology from Black Hills State University. He completed his MS in Zoology and Physiology at the University of Wyoming where he studied captive propagation of black-footed ferrets (Mustela nigripes) as part of the National Black-Footed Ferret

  1. pH effect on structural and optical properties of nanostructured zinc oxide thin films

    SciTech Connect (OSTI)

    Munef, R. A.

    2015-03-30

    ZnO nanostructures were Deposited on Objekttrager glasses for various pH values by chemical bath deposition method using Zn (NO3)2·6H2O (zinc nitrate hexahydrate) solution at 75°C reaction temperature without any posterior treatments. The ZnO nanostructures obtained were characterized by X-ray Diffraction (XRD, UV). The structure was hexagonal and it was found that some peaks disappear with various pH values. The grain sizes of ZnO films increases from 22-to-29nm with increasing pH. The transmission of the films was (85-95%)

  2. A comparative study of precipitation effects in Ti only and Ti-V Ultra Low Carbon (ULC) strip steels

    SciTech Connect (OSTI)

    Ooi, S.W.; Fourlaris, G. . E-mail: g.fourlaris@swansea.ac.uk

    2006-04-15

    Two ULC steel grades were investigated, one based on combined vanadium and titanium additions and the other based on titanium only additions. It has been established that TiC formation during interphase precipitation retards grain growth of the {l_brace}111{r_brace} texture grains during continuous annealing and hence positively affects the r value of the Ti only steel. The formation of newly formed TiC precipitates on dislocations during continuous annealing has been found to result in an increase of the yield strength in both steel grades, as the annealing temperature is increased. It is also confirmed that VC particles formed during the coiling process dissolve during the continuous annealing cycles. Suitable continuous annealing cycles can be adopted to produce high formable steels with a bake hardening potential using the beneficial effects of combined Ti-V additions.

  3. Photocatalytic activity and stability of TiO{sub 2} and WO{sub 3} thin films

    SciTech Connect (OSTI)

    Carcel, Radu Adrian; Andronic, Luminita Duta, Anca

    2012-08-15

    Photocatalysis represents a viable option for complete degrading the dye molecules resulted in the textile industry, up to products that do not represent environmental threats. The photocatalytic degradation of methyl orange has been investigated using TiO{sub 2}, WO{sub 3} and mixed thin films. The photodegradation efficiency is examined in correlation with the experimental parameters (irradiation time, H{sub 2}O{sub 2} addition and stability), along with the morphology and crystallinity data. The H{sub 2}O{sub 2} addition increases the photodegradation efficiency by providing additional hydroxyl groups and further reducing the recombination of the electron-hole pairs by reacting with the electrons at the catalyst interface. To test the stability of the photocatalytic films in long time running processes, batch series of experiments were conducted using contact periods up to 9 days. The results show that the thin films maintained their photocatalytic properties confirming their stability and viability for up-scaling. Highlights: Black-Right-Pointing-Pointer TiO{sub 2}, WO{sub 3} and mixed thin films Black-Right-Pointing-Pointer We tested the photocatalytic activity and photocatalyst stability over a period up to 9 days of continuous irradiation. Black-Right-Pointing-Pointer The influence of medium pH and oxidizing agent (H{sub 2}O{sub 2}) was analyzed.

  4. Native SrTiO3 (001) surface layer from resonant Ti L2,3 reflectance spectroscopy

    SciTech Connect (OSTI)

    Valvidares, Manuel; Huijben, Mark; Yu, Pu; Ramesh, Ramamoorthy; Kortright, Jeffrey

    2010-11-03

    We quantitatively model resonant Ti L2,3 reflectivity Rs,p(q, hn) from several SrTiO3 (001) single crystals having different initial surface preparations and stored in ambient conditions before and between measurements. All samples exhibit unexpected 300 K Rs(hn) - Rp(hn) anisotropy corresponding to weak linear dichroism and tetragonal distortion of the TiO6 octahedra indicating a surface layer with properties different from cubic SrTiO3. Oscillations in Rs(q) confirm a ubiquitous surface layer 2-3 nm thick that evolves over a range of time scales. Resonant optical constant spectra derived from Rs,p(hn) assuming a uniform sample are refined using a single surface layer to fit measured Rs(q). Differences in surface layer and bulk optical properties indicate that the surface is significantly depleted in Sr and enriched in Ti and O. While consistent with the tendency of SrTiO3 surfaces toward non-stoichiometry, this layer does not conform simply to existing models for the near surface region and apparently forms via room temperature surface reactions with the ambient. This new quantitative spectral modeling approach is generally applicable and has potential to study near-surface properties of a variety of systems with unique chemical and electronic sensitivities.

  5. Paul J. Merges, PhD Director, Bureau of Radiation New York State...

    Office of Legacy Management (LM)

    AU62 & 1993 Paul J. Merges, PhD Director, Bureau of Radiation New York State Department of Environmental Conservation 50 Wolf Road Albany, New York 12233 1; Dear Dr. Merges: Your ...

  6. Paul W. King, Ph.D., M.S. | Bioenergy | NREL

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

    Paul W. King Paul W. King, Ph.D., M.S. Scientist VI - Supervisor, Photobiology Group Paul.King@nrel.gov | 303-384-6277 Research Interests Paul King's research interests are broadly ...

  7. PAA-15-0001- In the Matter of Rolf E. Carlson, PhD

    Broader source: Energy.gov [DOE]

    On July 31, 2015, OHA issued a decision denying a Privacy Act Appeal filed by Rolf E. Carlson, PhD from a determination issued to him by the DOE’s National Nuclear Security Administration (NNSA)....

  8. ORISE report shows number of health physics Ph.D.s declined in...

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

    ORISE report shows number of health physics Ph.D.s declined in 2009 FOR IMMEDIATE RELEASE June 15, 2010 FY10-37 OAK RIDGE, Tenn.-Health physics undergraduate degrees increased...

  9. WBU-14-0011- In the Matter of Dr. Paul M. Cole, Ph.D

    Broader source: Energy.gov [DOE]

    On November 3, 2014, the Office of Hearings and Appeals (OHA) issued a decision denying a jurisdictional appeal filed by Dr. Paul M. Cole, Ph.D (Dr. Cole), a former Oak Ridge Institute for Science...

  10. Microfluidic device having an immobilized pH gradient and page...

    Office of Scientific and Technical Information (OSTI)

    and page gels for protein separation and analysis Title: Microfluidic device having an immobilized pH gradient and page gels for protein separation and analysis Disclosed is a ...

  11. A=6H (2002TI10)

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

    2002TI10) (See the Isobar Diagram for 6H) 6H was reported in the 7Li(7Li, 8B)6H reaction at E(7Li) = 82 MeV (1984AL08, 1985AL1G) [σ(θ) ~ 60 nb/sr at θ = 10°] and in the 9Be(11B, 14O)6H reaction at E(11B) = 88 MeV (1986BE35) [σ(θ) ~ 16 nb/sr at θ ~ 8°]. 6H is unstable with respect to breakup into 3H + 3n by 2.7 ± 0.4 MeV, Γ = 1.8 ± 0.5 MeV (1984AL08), 2.6 ± 0.5 MeV, Γ = 1.3 ± 0.5 MeV (1986BE35). The value adopted in the previous review (1988AJ01) is 2.7 ± 0.3 MeV, Γ = 1.6 ± 0.4

  12. Violeta Sànchez i Nogué, Ph.D. | Bioenergy | NREL

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

    Violeta Sànchez i Nogué Violeta Sànchez i Nogué, Ph.D. Postdoctoral Researcher, Biochemical Process Research Violeta.SancheziNogue@nrel.gov | 303-384-6641 Research Interests Production of chemicals and fuels from biomass feedstocks involving biotechnological steps Microbial tolerance to biomass feedstocks Metabolic engineering for the production of value-added compounds Areas of Expertise Fermentation technology Metabolic engineering Education Ph.D., Engineering, Division of Applied

  13. Ames Laboratory Ph.D. Student is awarded Margaret Butler Fellowship | The

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

    Ames Laboratory Ph.D. Student is awarded Margaret Butler Fellowship Contacts: For Release: July 26, 2016 Colleen Bertoni, Ames Laboratory Steve Karsjen, Public Affairs, 515-294-5643 AMES, Iowa - U.S. Department of Energy's (DOE) Ames Laboratory and Iowa State University PhD student Colleen Bertoni has been named this year's recipient of the Margaret Butler Fellowship in Computational Science. Bertoni will spend 2017 at the Argonne Leadership Computing Facility (ALCF), a DOE user facility at

  14. pH effect on the separation of uranium fluoride effluents by the reverse osmosis process

    SciTech Connect (OSTI)

    Yun Chen ); Min-Lin Chu; Mu-Chang Shieh , Lung-tan, )

    1992-04-01

    Ammonium fluoride solutions and uranium fluoride effluents (UFE) with solute concentrations from 0.101 to 7,920 kg/m{sup 3}, at pH 2.80 to 9.60, have been treated with a continuous feedback reverse osmosis (RO) process. The solute rejections of NH{sub 4}{sup +}, F{sup {minus}}, and U{sup 6+} depend heavily on the feed pH value. For ammonium fluoride solutions, the rejection ratio of NH{sub 4}{sup +} decreases sharply from ca. 90 to 44.2% with the feed pH increased from 3.30 to 9.60, while that of F{sup {minus}} increases abruptly from 44.8 to 99.9% at the same pH change. For UFE solutions, the rejection ratio of U{sup 6+} remains greater than 90% at pH 2.80-7.13, while that of F{sup {minus}} decreases steadily from 96.4 to 18.8% with decreasing feed pH. Accordingly, the fluoride ions can be separated from UFE solutions under acidic conditions. The changes of solute rejection with feed pH can be explained by the different solubilities of the solutes in the membrane at different pH values. The UFE solutions with {alpha} and {beta} activities at 20.4-53.7 and 8.99-21.3 ({times} 10{sup 5} Baq/m{sup 3}) can be reduced to a level lower than 2.41 and 3.37 ({times}10{sup 5} Baq/m{sup 3}), respectively, by the current RO process.

  15. Final Report: Support for Polytechnic PhD Student, September 24, 1996 - June 30, 1999

    SciTech Connect (OSTI)

    Myerson, Allan S.

    2000-01-19

    Polytechnic University PhD student working on research projects in the area of fossil energy and renewable energy were supported in this program and did their research work at Brookhaven National Laboratory in the Department of Applied Sciences. One of these students had completed an MS degree in Chemical Engineering at Howard University while doing his research at Brookhaven. This student continued his studies by becoming a Polytechnic PhD student while doing his research work at Brookhaven.

  16. Magneto-transport in LaTi{sub 1−x}Mn{sub x}O{sub 3}/SrTiO{sub 3} oxide heterostructures

    SciTech Connect (OSTI)

    Kumar, Pramod Dogra, Anjana Budhani, R. C.

    2014-04-24

    We report the growth of ultrathin film of Mn doped LaTiO{sub 3} on TiO{sub 2} terminated SrTiO{sub 3} (001) substrate by pulsed laser deposition (PLD) and their electrical transport characteristics including magnetoresistance (MR). Though the replacement of Mn in LaTiO{sub 3} at the Ti site in dilute limit does not affect the metallic behaviour of films but variation in resistance is observed. Normalised resistance behaviour is explained on the basis of variation in charge carriers and increased interaction between Mn atoms in the system under investigation.

  17. Effect of pH on the heavy metal-clay mineral interaction

    SciTech Connect (OSTI)

    Altyn, O.; Oezbelge, H.O.; Dogu, T.; Oezbelge, T.A.

    1997-12-31

    Adsorption and ion exchange of Pb and Cd on the surface of kaolinite and montmorillonite were studied with a strong emphasis on the pH values of solutions containing heavy metal ions. The pH range studied was 2.5 - 9. For kaolinite at a clay/solution ratio of 1/10 (w/w), Pb removal changes from 20 to 30% for an initial Pb concentration of 1640 ppm, and Cd removal changes from 10 to 20% for an initial Cd concentration of 1809 ppm. Due to its high exchange capacity, montmorillonite can remove more heavy metal than kaolinite. Removal rates for montmorillonite can reach up to 90% for both Pb and Cd. In the pH range of 3-6, there is a plateau for the removal rates. At pH values higher than 6, removal seems to increase artificially due to the precipitation of heavy metals. Under similar conditions for both clays, the rate of removal of Pb is always higher than that of Cd. As the pH value decreases for montmorillonite, there is a strong tendency for decreased surface area and swelling, as indicated by BET surface area measurements, adsorbed layer thickness and pore size distribution data. In the range of pH values studied, X-ray diffraction analysis showed the appearance of a characteristic (001) peak for montmorillonite, indicating that the crystalline structure of the clay was intact during the experiments.

  18. Theory of signal and noise in double-gated nanoscale electronic pH sensors

    SciTech Connect (OSTI)

    Go, Jonghyun; Nair, Pradeep R.; Alam, Muhammad A.

    2012-08-01

    The maximum sensitivity of classical nanowire (NW)-based pH sensors is defined by the Nernst limit of 59 mV/pH. For typical noise levels in ultra-small single-gated nanowire sensors, the signal-to-noise ratio is often not sufficient to resolve pH changes necessary for a broad range of applications. Recently, a new class of double-gated devices was demonstrated to offer apparent 'super-Nernstian' response (>59 mV/pH) by amplifying the original pH signal through innovative biasing schemes. However, the pH-sensitivity of these nanoscale devices as a function of biasing configurations, number of electrodes, and signal-to-noise ratio (SNR) remains poorly understood. Even the basic question such as 'Do double-gated sensors actually resolve smaller changes in pH compared to conventional single-gated sensors in the presence of various sources of noise?' remains unanswered. In this article, we provide a comprehensive numerical and analytical theory of signal and noise of double-gated pH sensors to conclude that, while the theoretical lower limit of pH-resolution does not improve for double-gated sensors, this new class of sensors does improve the (instrument-limited) pH resolution.

  19. Effect of CO{sub 2} air mixtures on the pH of air-stripped water...

    Office of Scientific and Technical Information (OSTI)

    pH of air-stripped water at Treatment Facility D Citation Details In-Document Search Title: Effect of COsub 2 air mixtures on the pH of air-stripped water at Treatment Facility ...

  20. Morphology and structural development of reduced anatase-TiO{sub 2} by pure Ti powder upon annealing and nitridation: Synthesis of TiO{sub x} and TiO{sub x}N{sub y} powders

    SciTech Connect (OSTI)

    Bolokang, A.S.; Motaung, D.E.

    2015-02-15

    It is well known that nitriding of titanium is suitable for surface coating of biomaterials and in other applications such as anti-reflective coating, while oxygen-rich titanium oxynitride has been applied in thin film resistors and photocatalysis. Thus in this work anatase was reduced with pure titanium powder during annealing in argon. This was done to avoid any metallic contamination and unwanted residual metal doping. As a result, interesting and different types of particle morphology were synthesized when the pre-milled elemental anatase and titanium powders were mixed. The formation of metastable face centred cubic and monoclinic titanium monoxide was detected by the X-ray diffraction technique. The phases were confirmed by energy dispersive X-ray spectroscopy analysis. Raman analysis revealed weak intensity peaks for samples annealed in argon as compared to those annealed under nitrogen. - Graphical abstract: Display Omitted - Highlights: • Reaction of TiO{sub 2} and Ti induced metastable FCC and monoclinic TiO{sub x}. • Compositions of mixed powder were prepared from the unmilled and pre-milled powders. • Nitridation of TiO{sub x} yielded TiO{sub x}N{sub y} phase. • Mixed morphology was observed on all three powder samples.

  1. Incorporation of chromium into TiO{sub 2} nanopowders

    SciTech Connect (OSTI)

    Kollbek, Kamila; Sikora, Marcin; Kapusta, Czesław; Szlachetko, Jakub; Radecka, Marta; Lyson-Sypien, Barbara; Zakrzewska, Katarzyna

    2015-04-15

    Highlights: • Nanopowders of TiO{sub 2}:Cr with different amount of Cr dopant were obtained by flame spray synthesis, FSS. • Increase in the optical absorption and a shift of the absorption edge were observed upon Cr doping. • HERFD-XANES measurements indicated that the average valence state of titanium ions was preserved. • Increasing magnetic susceptibility of a paramagnetic character was observed upon Cr doping. - Abstract: The paper reports on the results of a study of optical, electronic and magnetic properties of TiO{sub 2} nanopowders doped with Cr ions. Diffused reflectance spectra reveal an increase in the optical absorption and a shift of the absorption edge towards lower energies upon Cr doping. Direct information on the Ti electronic state and the symmetry of its nearest environment is obtained from XANES Ti K-edge spectra. Magnetic behaviour is probed by means of the temperature dependence of DC magnetic susceptibility. Increasing magnetic susceptibility of a paramagnetic character is observed upon increasing chromium doping. The Curie constant of TiO{sub 2}:10 at.% Cr sample (0.12 emu K/mol Oe) is lower than that expected for Cr{sup 3+} (0.1875 emu K/mol Oe) possibly due to the appearance of Cr{sup 4+} or the presence of the orbital contribution to the magnetic moment.

  2. Interface-Induced Polarization in SrTiO3-LaCrO3 Superlattices...

    Office of Scientific and Technical Information (OSTI)

    Through x-ray absorption near edge spectroscopy and aberration-corrected scanning transmission electron microscopy we show that the Ti cations are displaced off-center in the TiO6 ...

  3. FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM (Journal...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM Citation Details In-Document Search Title: FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  6. Electric control of magnetism at the Fe/BaTiO3 interface (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electric control of magnetism at the FeBaTiO3 interface Citation Details In-Document Search Title: Electric control of magnetism at the FeBaTiO3 interface Interfacial ...

  7. High-Ti-concentration aerogels for bright x-ray sources (Technical...

    Office of Scientific and Technical Information (OSTI)

    Ti-concentration aerogels for bright x-ray sources Citation Details In-Document Search Title: High-Ti-concentration aerogels for bright x-ray sources Authors: Perez, F ; Patterson,...

  8. High-Ti-concentration aerogels for bright x-ray sources (Technical...

    Office of Scientific and Technical Information (OSTI)

    Ti-concentration aerogels for bright x-ray sources Citation Details In-Document Search Title: High-Ti-concentration aerogels for bright x-ray sources You are accessing a...

  9. Low temperature fabrication of perovskite solar cells with TiO...

    Office of Scientific and Technical Information (OSTI)

    the perovskite were fabricated from TiOsub 2 nanoparticles with different grain sizes. ... performance of solar cells was improved by combination of two TiOsub 2 nanoparticles. ...

  10. Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system...

    Office of Scientific and Technical Information (OSTI)

    Ti3CrCu4: A possible 2-D ferromagnetic spin fluctuating system Title: Ti3CrCu4: A possible ... Country of Publication: United States Language: English Word Cloud More Like This Free ...

  11. Conversion of 1,3-Propylene Glycol on Rutile TiO2(110) (Journal...

    Office of Scientific and Technical Information (OSTI)

    Conversion of 1,3-Propylene Glycol on Rutile TiO2(110) Citation Details In-Document Search Title: Conversion of 1,3-Propylene Glycol on Rutile TiO2(110) The adsorption of...

  12. Electrolyte Gate-Controlled Kondo Effect in SrTiO3 (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Electrolyte Gate-Controlled Kondo Effect in SrTiO3 Prev Next Title: Electrolyte Gate-Controlled Kondo Effect in SrTiO3 Authors: Lee, Menyoung ; Williams, J. R. ; Zhang, Sipei ...

  13. Electric control of magnetism at the Fe/BaTiO3 interface (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electric control of magnetism at the FeBaTiO3 interface Citation Details In-Document Search Title: Electric control of magnetism at the FeBaTiO3 interface You are accessing a ...

  14. Water adsorption induced in-plane domain switching on BaTiO{sub 3} surface

    SciTech Connect (OSTI)

    Li, X.; Bai, Y.; Su, Y. J.; Wang, B. C.

    2015-09-07

    In this study, the influences of the adsorption of water molecules on the changes in the atomic and electric structures of BaTiO{sub 3} surface were investigated using ab initio calculation. Water molecules are molecularly and dissociatively adsorbed on the BaTiO{sub 3} surface, which makes electrons transfer from water molecules to the BaTiO{sub 3} surface. The redistribution of electrons in the BaTiO{sub 3} surface layers weakens the Ba-O interactions and strengthens the Ti-O interactions, so that the Ti atom shifts in TiO{sub 2} plane, i.e., an in-plane domain switching. The adsorption of water molecules on BaTiO{sub 3} surfaces also results in a reduction in the surface rumpling.

  15. Visible Light Absorption of N-Doped TiO2 Rutile Using (LR/RT...

    Office of Scientific and Technical Information (OSTI)

    N-Doped TiO2 Rutile Using (LRRT)-TDDFT and Active Space EOMCCSD Calculations Citation Details In-Document Search Title: Visible Light Absorption of N-Doped TiO2 Rutile Using ...

  16. pH control of the structure, composition, and catalytic activity of sulfated zirconia

    SciTech Connect (OSTI)

    Ivanov, Vladimir K.; Materials Science Department, Moscow State University, Moscow 119991 ; Baranchikov, Alexander Ye.; Kopitsa, Gennady P.; Lermontov, Sergey A.; Yurkova, Lyudmila L.; Gubanova, Nadezhda N.; Petersburg Nuclear Physics Institute, Orlova Roscha, Gatchina 188300 ; Ivanova, Olga S.; Lermontov, Anatoly S.; Rumyantseva, Marina N.; Vasilyeva, Larisa P.; Sharp, Melissa; Pranzas, P. Klaus; Tretyakov, Yuri D.

    2013-02-15

    We report a detailed study of structural and chemical transformations of amorphous hydrous zirconia into sulfated zirconia-based superacid catalysts. Precipitation pH is shown to be the key factor governing structure, composition and properties of amorphous sulfated zirconia gels and nanocrystalline sulfated zirconia. Increase in precipitation pH leads to substantial increase of surface fractal dimension (up to {approx}2.7) of amorphous sulfated zirconia gels, and consequently to increase in specific surface area (up to {approx}80 m{sup 2}/g) and simultaneously to decrease in sulfate content and total acidity of zirconia catalysts. Complete conversion of hexene-1 over as synthesized sulfated zirconia catalysts was observed even under ambient conditions. - Graphical abstract: Surface fractal dimension of amorphous sulfated zirconia and specific surface area and catalytic activity of crystalline sulfated zirconia as a function of precipitation pH. Highlights: Black-Right-Pointing-Pointer Structural transformation of amorphous hydrous zirconia into sulfated zirconia is studied. Black-Right-Pointing-Pointer Precipitation pH controls surface fractal dimension of amorphous zirconia gels. Black-Right-Pointing-Pointer Precipitation pH is the key factor governing properties of sulfated zirconia.

  17. Influence of acidic pH on hydrogen and acetate production by an electrosynthetic microbiome

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

    LaBelle, Edward V.; Marshall, Christopher W.; Gilbert, Jack A.; May, Harold D.; Battista, John R.

    2014-10-15

    Production of hydrogen and organic compounds by an electrosynthetic microbiome using electrodes and carbon dioxide as sole electron donor and carbon source, respectively, was examined after exposure to acidic pH (~5). Hydrogen production by biocathodes poised at -600 mV vs. SHE increased>100-fold and acetate production ceased at acidic pH, but ~5–15 mM (catholyte volume)/day acetate and>1,000 mM/day hydrogen were attained at pH ~6.5 following repeated exposure to acidic pH. Cyclic voltammetry revealed a 250 mV decrease in hydrogen overpotential and a maximum current density of 12.2 mA/cm2 at -765 mV (0.065 mA/cm2 sterile control at -800 mV) by the Acetobacterium-dominatedmore » community. Supplying -800 mV to the microbiome after repeated exposure to acidic pH resulted in up to 2.6 kg/m3/day hydrogen (≈2.6 gallons gasoline equivalent), 0.7 kg/m3/day formate, and 3.1 kg/m3/day acetate ( = 4.7 kg CO2 captured).« less

  18. Influence of acidic pH on hydrogen and acetate production by an electrosynthetic microbiome

    SciTech Connect (OSTI)

    LaBelle, Edward V.; Marshall, Christopher W.; Gilbert, Jack A.; May, Harold D.; Battista, John R.

    2014-10-15

    Production of hydrogen and organic compounds by an electrosynthetic microbiome using electrodes and carbon dioxide as sole electron donor and carbon source, respectively, was examined after exposure to acidic pH (~5). Hydrogen production by biocathodes poised at -600 mV vs. SHE increased>100-fold and acetate production ceased at acidic pH, but ~5–15 mM (catholyte volume)/day acetate and>1,000 mM/day hydrogen were attained at pH ~6.5 following repeated exposure to acidic pH. Cyclic voltammetry revealed a 250 mV decrease in hydrogen overpotential and a maximum current density of 12.2 mA/cm2 at -765 mV (0.065 mA/cm2 sterile control at -800 mV) by the Acetobacterium-dominated community. Supplying -800 mV to the microbiome after repeated exposure to acidic pH resulted in up to 2.6 kg/m3/day hydrogen (≈2.6 gallons gasoline equivalent), 0.7 kg/m3/day formate, and 3.1 kg/m3/day acetate ( = 4.7 kg CO2 captured).

  19. Coating power RF components with TiN

    SciTech Connect (OSTI)

    Kuchnir, M.; Hahn, E.

    1995-03-01

    A facility for coating RF power components with thin films of Ti and/or TiN has been in operation for some time at Fermilab supporting the Accelerator Division RF development work and the TESLA program. It has been experimentally verified that such coatings improve the performance of these components as far as withstanding higher electric fields. This is attributed to a reduction in the secondary electron emission coefficient of the surfaces when coated with a thin film containing titanium. The purpose of this Technical Memorandum is to describe the facility and the procedure used.

  20. Resonance photoelectron spectroscopy of TiX{sub 2} (X = S, Se, Te) titanium dichalcogenides

    SciTech Connect (OSTI)

    Shkvarin, A. S. Yarmoshenko, Yu. M.; Skorikov, N. A.; Yablonskikh, M. V.; Merentsov, A. I.; Shkvarina, E. G.; Titov, A. N.

    2012-11-15

    The photoelectron valence band spectra of TiS{sub 2}, TiSe{sub 2}, and TiTe{sub 2} dichalcogenides are investigated in the Ti 2p-3d resonance regime. Resonance bands in the vicinity of the Fermi energy are found for TiS{sub 2} and TiTe{sub 2}. The nature of these bands is analyzed based on model calculations of the density of electronic states in TiS{sub 2}, TiSe{sub 2}, and TiTe{sub 2} compounds intercalated by titanium atoms. Analysis of experimental data and their comparison with model calculations showed that these bands have different origins. It is found that the resonance enhancement of an additional band observed in TiS{sub 2} is explained by self-intercalation by titanium during the synthesis of this compound. The resonance enhancement in TiTe{sub 2} is caused by occupation of the 3d band in Ti.

  1. High strength, light weight Ti-Y composites and method of making same

    DOE Patents [OSTI]

    Verhoeven, John D.; Ellis, Timothy W.; Russell, Alan M.; Jones, Lawrence L.

    1993-04-06

    A high strength, light weight "in-situ" Ti-Y composite is produced by deformation processing a cast body having Ti and Y phase components distributed therein. The composite comprises elongated, ribbon-shaped Ti and Y phase components aligned along an axis of the deformed body.

  2. High strength, light weight Ti-Y composites and method of making same

    DOE Patents [OSTI]

    Verhoeven, J.D.; Ellis, T.W.; Russell, A.M.; Jones, L.L.

    1993-04-06

    A high strength, light weight in-situ'' Ti-Y composite is produced by deformation processing a cast body having Ti and Y phase components distributed therein. The composite comprises elongated, ribbon-shaped Ti and Y phase components aligned along an axis of the deformed body.

  3. Structural Bioinformatics-Based Prediction of Exceptional Selectivity of p38 MAP Kinase Inhibitor PH-797804

    SciTech Connect (OSTI)

    Xing, Li; Shieh, Huey S.; Selness, Shaun R.; Devraj, Rajesh V.; Walker, John K.; Devadas, Balekudru; Hope, Heidi R.; Compton, Robert P.; Schindler, John F.; Hirsch, Jeffrey L.; Benson, Alan G.; Kurumbail, Ravi G.; Stegeman, Roderick A.; Williams, Jennifer M.; Broadus, Richard M.; Walden, Zara; Monahan, Joseph B.; Pfizer

    2009-07-24

    PH-797804 is a diarylpyridinone inhibitor of p38{alpha} mitogen-activated protein (MAP) kinase derived from a racemic mixture as the more potent atropisomer (aS), first proposed by molecular modeling and subsequently confirmed by experiments. On the basis of structural comparison with a different biaryl pyrazole template and supported by dozens of high-resolution crystal structures of p38{alpha} inhibitor complexes, PH-797804 is predicted to possess a high level of specificity across the broad human kinase genome. We used a structural bioinformatics approach to identify two selectivity elements encoded by the TXXXG sequence motif on the p38{alpha} kinase hinge: (i) Thr106 that serves as the gatekeeper to the buried hydrophobic pocket occupied by 2,4-difluorophenyl of PH-797804 and (ii) the bidentate hydrogen bonds formed by the pyridinone moiety with the kinase hinge requiring an induced 180{sup o} rotation of the Met109-Gly110 peptide bond. The peptide flip occurs in p38{alpha} kinase due to the critical glycine residue marked by its conformational flexibility. Kinome-wide sequence mining revealed rare presentation of the selectivity motif. Corroboratively, PH-797804 exhibited exceptionally high specificity against MAP kinases and the related kinases. No cross-reactivity was observed in large panels of kinase screens (selectivity ratio of >500-fold). In cellular assays, PH-797804 demonstrated superior potency and selectivity consistent with the biochemical measurements. PH-797804 has met safety criteria in human phase I studies and is under clinical development for several inflammatory conditions. Understanding the rationale for selectivity at the molecular level helps elucidate the biological function and design of specific p38{alpha} kinase inhibitors.

  4. PH adjustment of power plant cooling water with flue gas/fly ash

    SciTech Connect (OSTI)

    Brady, Patrick V.; Krumhansl, James L.

    2015-09-22

    A system including a vessel including a heat source and a flue; a turbine; a condenser; a fluid conduit circuit disposed between the vessel, the turbine and the condenser; and a diverter coupled to the flue to direct a portion of an exhaust from the flue to contact with a cooling medium for the condenser water. A method including diverting a portion of exhaust from a flue of a vessel; modifying the pH of a cooling medium for a condenser with the portion of exhaust; and condensing heated fluid from the vessel with the pH modified cooling medium.

  5. Hysteretic electrical transport in BaTiO{sub 3}/Ba{sub 1?x}Sr{sub x}TiO{sub 3}/Ge heterostructures

    SciTech Connect (OSTI)

    Ngai, J. H.; Kumah, D. P.; Walker, F. J.; Ahn, C. H.

    2014-02-10

    We present electrical transport measurements of heterostructures comprised of BaTiO{sub 3} and Ba{sub 1?x}Sr{sub x}TiO{sub 3} epitaxially grown on Ge. Sr alloying imparts compressive strain to the BaTiO{sub 3}, which enables the thermal expansion mismatch between BaTiO{sub 3} and Ge to be overcome to achieve c-axis oriented growth. The conduction bands of BaTiO{sub 3} and Ba{sub 1?x}Sr{sub x}TiO{sub 3} are nearly aligned with the conduction band of Ge, which facilitates electron transport. Electrical transport measurements through the dielectric stack exhibit rectifying behavior and hysteresis, where the latter is consistent with ferroelectric switching.

  6. Induced Ti magnetization at La0.7Sr0.3MnO3 and BaTiO3 interfaces

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

    Liu, Yaohua; Tornos, J.; te Velthuis, S. G. E.; Freeland, J. W.; Zhou, H.; Steadman, P.; Bencok, P.; Leon, C.; Santamaria, J.

    2016-04-01

    In artificial multiferroics hybrids consisting of ferromagnetic La0.7Sr0.3MnO3 (LSMO) and ferroelectric BaTiO3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. Moreover, the Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. But, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.

  7. Dye sensitized solar cell applications of CdTiO{sub 3}–TiO{sub 2} composite thin films deposited from single molecular complex

    SciTech Connect (OSTI)

    Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad

    2015-10-15

    A heterobimetallic complex [Cd{sub 2}Ti{sub 4}(μ-O){sub 6}(TFA){sub 8}(THF){sub 6}]·1.5THF (1) (TFA=trifluoroacetato, THF=tetrahydrofuran) comprising of Cd:Ti (1:2) ratio was synthesized by a chemical reaction of cadmium (II) acetate with titanium (IV) isopropoxide and triflouroacetic acid in THF. The stoichiometry of (1) was recognized by single crystal X-ray diffraction, spectroscopic and elemental analyses. Thermal studies revealed that (1) neatly decomposes at 450 °C to furnish 1:1 ratio of cadmium titanate:titania composite oxides material. The thin films of CdTiO{sub 3}–TiO{sub 2} composite oxides were deposited at 550 °C on fluorine doped tin oxide coated conducting glass substrate in air ambient. The micro-structure, crystallinity, phase identification and chemical composition of microspherical architectured CdTiO{sub 3}–TiO{sub 2} composite thin film have been determined by scanning electron microscopy, X-ray diffraction, Raman spectroscopy and energy dispersive X-ray analysis. The scope of composite thin film having band gap of 3.1 eV was explored as photoanode for dye-sensitized solar cell application. - Graphical abstarct: Microspherical designed CdTiO{sub 3}–TiO{sub 2} composite oxides photoanode film has been fabricated from single source precursor [Cd{sub 2}Ti{sub 4}(μ-O){sub 6}(TFA){sub 8}(THF){sub 6}]·1.5THF via aerosol assisted chemical vapor deposition technique for dye sensitized solar cell application. - Highlights: • Synthesis and characterization of a heterobimetallic Cd–Ti complex. • Fabrication of CdTiO{sub 3}–TiO{sub 2} thin film photoelectrode. • Application as dye sensitized photoanode for solar application.

  8. Epitaxial single-crystal thin films of MnxTi1-xO2-δ grown on...

    Office of Scientific and Technical Information (OSTI)

    Epitaxial single-crystal thin films of MnxTi1-xO2- grown on (rutile)TiO2 substrates with ... Title: Epitaxial single-crystal thin films of MnxTi1-xO2- grown on (rutile)TiO2 ...

  9. Aqueous biphasic extraction process with pH and particle control

    DOE Patents [OSTI]

    Chaiko, D.J.; Mensah-Biney, R.

    1995-05-02

    A process for aqueous biphasic extraction of metallic oxides and the like from substances containing silica. Control of media pH enables efficient and effective partition of mixture components. The inventive method may be employed to remove excess silica from kaolin clay. 2 figs.

  10. Aqueous biphasic extraction process with pH and particle control

    DOE Patents [OSTI]

    Chaiko, David J.; Mensah-Biney, R.

    1995-01-01

    A process for aqueous biphasic extraction of metallic oxides and the like from substances containing silica. Control of media pH enables efficient and effective partition of mixture components. The inventive method may be employed to remove excess silica from kaolin clay.

  11. Dissolved oxygen and pH relationships in northern Australian mangrove waterways

    SciTech Connect (OSTI)

    Boto, K.G.; Bunt, J.S.

    1981-01-01

    Consistent, highly significant linear correlations (R2 greater than or equal to 0.8) between pH and dissolved oxygen levels have been found in northern Australian mangrove waterways. These properties seem to be influenced by dissolved organic matter, mainly polyphenolic compounds, present in the creeks and tidal channel waters.

  12. Adsorption behavior of copper and zinc in soils: Influence of pH on adsorption characteristics

    SciTech Connect (OSTI)

    Msaky, J.J. ); Calvet, R. )

    1990-08-01

    The authors studied adsorption of copper and zinc on three different soils: a brown silty soil, an Oxisol, and a Podzol. They determined the amounts adsorbed and the shapes of adsorption isotherms as a function of the pH of the adsorbing medium at a constant ionic strength. The adsorbed amount-pH relationship depended strongly on the natures of the metallic cation and of the soil. The pH greatly influenced the characteristics of adsorption isotherms. They based interpretation on the variations with the pH of both adsorbent affinity for the metal in relation to the surface electric charge and chemical speciation in solution. The adsorption mechanism in the Oxisol probably involves monohydroxylated cations but is more determined by bivalent cations in the brown silty soil and the Podzol. From a general point of view, adsorption of copper and zinc cannot be represented with a single adsorption constant, but should be described by adsorption isotherms obtained at various pH values.

  13. Adhesion evaluation of TiN and (Ti, Al)N coatings on titanium 6Al-4V

    SciTech Connect (OSTI)

    James, R.D.; Gruss, K.A.; Horie, Y.; Davis, R.F.; Paisley, D.L.; Parthasarthi, S.; Tittmann, B.R.

    1996-12-31

    The metallic components of gas turbine engines are continually subjected to hostile atmospheres. Nitride coatings improve the performance of the metallic compressor blades in these engines. To assess the adhesion of nitride coatings on metals, titanium 6% aluminum 4% vanadium substrates were coated with titanium nitride (TiN) using both cathodic arc and electron beam evaporation. Titanium aluminum nitride ((Ti, Al)N) was also deposited using cathodic arc evaporation. The interfaces of the coated samples were loaded in tension using a high speed shock wave which caused spallation either at the interface, in the coating or in the metal. Scanning acoustic microscopy analysis of the spalled samples detected delaminations at the interface in the samples deposited by cathodic arc evaporation. DYNA2D modeling of plate impact spallation experiments revealed the tensile adhesion strength for TiN deposited by both techniques was {approx} 2.0 GPa. The tensile adhesion strength for (Ti, Al)N was less than 1.5 GPa.

  14. Laser hydrothermal reductive ablation of titanium monoxide: Hydrated TiO particles with modified Ti/O surface

    SciTech Connect (OSTI)

    Blazevska-Gilev, Jadranka; Jandova, Vera; Kupcik, Jaroslav; Bastl, Zdenek; Subrt, Jan; Bezdicka, Petr; Pola, Josef

    2013-01-15

    IR laser- and UV laser-induced ablation of titanium monoxide (TM) in hydrogen (50 Torr) is compared to the same process induced in vacuum and shown to result in deposition of hydrated surface modified nanostructured titanium suboxide films. Complementary analyses of the films deposited in vacuum and in hydrogen by Fourier transform infrared, Raman and X-ray photoelectron spectroscopy, X-ray diffraction and electron microscopy allowed to determine different features of both films and propose a mechanism of surface modification of ejected particles, which involves hydrothermal reduction of TM and subsequent reactions of evolved water. The films exert good adhesion to metal and quartz surfaces and are hydrophobic in spite of having their surface coated with adsorbed water. - Graphical abstract: Laser ablation of titanium monoxide (TiO) in hydrogen involves a sequence of H{sub 2} and H{sub 2}O eliminations and additions and yields hydrated amorphous nanostructured titanium suboxide which is richer in oxygen than TiO. Highlights: Black-Right-Pointing-Pointer IR and UV laser ablated particles of titanium monoxide (TiO) undergo amorphization. Black-Right-Pointing-Pointer Films deposited in vacuum have TiO stoichiometry and are oxidized in atmosphere. Black-Right-Pointing-Pointer Films deposited in hydrogen are hydrated and have more O in topmost layers. Black-Right-Pointing-Pointer Films modification in hydrogen is explained by reactions in hydrogen plasma.

  15. Dual Phase Li4 Ti5O12TiO2 Nanowire Arrays As Integrated Anodes For High-rate Lithium-ion Batteries

    SciTech Connect (OSTI)

    Liao, Jin; Chabot, Victor; Gu, Meng; Wang, Chong M.; Xiao, Xingcheng; Chen, Zhongwei

    2014-08-19

    Lithium titanate (Li4Ti5O12) is well known as a zero strain material inherently, which provides excellent long cycle stability as a negative electrode for lithium ion batteries. However, the low specific capacity (175 mA h g?1) limits it to power batteries although the low electrical conductivity is another intrinsic issue need to be solved. In this work, we developed a facile hydrothermal and ion-exchange route to synthesize the self-supported dual-phase Li4Ti5O12TiO2 nanowire arrays to further improve its capacity as well as rate capability. The ratio of Li4Ti5O12 to TiO2 in the dual phase Li4Ti5O12TiO2 nanowire is around 2:1. The introduction of TiO2 into Li4Ti5O12 increases the specific capacity. More importantly, by interface design, it creates a dual-phase nanostructure with high grain boundary density that facilitates both electron and Li ion transport. Compared with phase-pure nanowire Li4Ti5O12 and TiO2 nanaowire arrays, the dual-phase nanowire electrode yielded superior rate capability (135.5 at 5 C, 129.4 at 10 C, 120.2 at 20 C and 115.5 mA h g?1 at 30 C). In-situ transmission electron microscope clearly shows the near zero deformation of the dual phase structure, which explains its excellent cycle stability.

  16. Structural and chemical characterization of BaTiO{sub 3} nanorods

    SciTech Connect (OSTI)

    Zagar, K.; Recnik, A.; Sturm, S.; Gajovic, A.; Ceh, M.

    2011-03-15

    Research highlights: {yields} Polycrystalline BaTiO{sub 3} nanorods were synthesized with EPD into AAO templates. {yields} Nanorods are composed of crystalline, nanosized grains with pseudo-cubic structure. {yields} Integrowth of hexagonal BaTiO{sub 3} polymorph within pseudo-cubic structure was observed. -- Abstract: An electron-microscopy investigation was performed on BaTiO{sub 3} nanorods that were processed by sol-gel electrophoretic deposition (EPD) into anodic aluminium oxide (AAO) membranes. The BaTiO{sub 3} nanorods grown within the template membranes had diameters ranging from 150 to 200 nm, with an average length of 10-50 {mu}m. By using various electron-microscopy techniques we showed that the processed BaTiO{sub 3} nanorods were homogeneous in their chemical composition. The BaTiO{sub 3} nanorods were always polycrystalline and were composed of well-crystallized, defect-free, pseudo-cubic BaTiO{sub 3} grains, ranging from 10 to 30 nm. No intergranular phases were observed between the BaTiO{sub 3} grains. A low-temperature hexagonal polymorph that is coherently intergrown with the BaTiO{sub 3} perovskite matrix was also observed as a minor phase. When annealing the AAO templates containing the BaTiO{sub 3} sol in an oxygen atmosphere the presence of the hexagonal polymorph was diminished.

  17. Synthesis of visible light-activated TiO{sub 2} photocatalyst via surface organic modification

    SciTech Connect (OSTI)

    Jiang Dong Xu Yao Hou Bo; Wu Dong; Sun Yuhan

    2007-05-15

    A visible light-activated TiO{sub 2} photocatalyst was successfully synthesized by the surface organic modification to sol-gel-hydrothermal synthesized TiO{sub 2}. The surface hydroxyls of TiO{sub 2} nanoparticles reacted with the active -NCO groups of tolylene diisocyanate (TDI) to form a surface complex that was confirmed by the FT-IR and XPS spectra. Due to the existence of surface complex, the absorption edge of as-prepared TDI-modified TiO{sub 2} nanomaterial extended well into visible region. Compared with unmodified TiO{sub 2} and Degussa P25, the TDI-modified TiO{sub 2} photocatalysts showed higher activity for the photocatalytic degradation of methylene blue under visible light irradiation. - Graphical abstract: A visible light-activated TiO{sub 2} photocatalyst was successfully synthesized by the surface organic modification to TiO{sub 2}. The surface hydroxyls of TiO{sub 2} nanoparticles reacted with the active -NCO groups of tolylene diisocyanate (TDI) to form a surface complex. The TDI-modified TiO{sub 2} photocatalysts showed higher activity for the photocatalytic degradation of methylene blue under visible light irradiation.

  18. The Effect of Ramp Rate on the C49 to C54 Titanium Disilicide Phase Transformation from Ti and Ti(Ta)

    SciTech Connect (OSTI)

    BAILEY, GLENN A.; HU, YAO ZHI; SMITH, PAUL M.; TAY, SING PIN

    1999-09-22

    The C49 to C54 TiSi{sub 2} transformation temperature is shown to be reduced by increasing the ramp rate during rapid thermal processing and this effect is more pronounced for thinner initial Ti and Ti(Ta) films. Experiments were performed on blanket wafers and on wafers that had patterned polycrystalline Si lines with Si{sub 3}N{sub 4} sidewall spacers. Changing the ramp rate caused no change in the transformation temperature for 60 nm blanket Ti films. For blanket Ti films of 25 or 40 nm, however, increasing the ramp rate from 7 to 180 C/s decreased the transformation temperature by 15 C. Studies of patterned lines indicate that sheet resistance of narrow lines is reduced by increased ramp rates for both Ti and Ti(Ta) films, especially as the linewidths decrease below 0.4 {micro}m. This improvement is particularly pronounced for the thinnest Ti(Ta) films, which exhibited almost no linewidth effect after being annealed with a ramp rate of 75 C/s.

  19. Ti{sub 5}O{sub 5} superstructures of cubic titanium monoxide

    SciTech Connect (OSTI)

    Gusev, A. I.

    2013-08-15

    A cubic model is proposed for the Ti{sub 5}O{sub 5} (Ti{sub 5} Black-Small-Square O{sub 5}{open_square} {identical_to} Ti{sub 90} Black-Small-Square {sub 18}O{sub 90}{open_square}{sub 18}) superstructure of nonstoichiometric titanium monoxide Ti{sub x}O{sub z} with double imperfection. The unit cell of the cubic Ti{sub 5}O{sub 5} superstructure has the threefold lattice parameter of the unit cell of the basis disordered B1 structure of Ti{sub x}O{sub z} monoxide and belongs to space group Pm 3-bar m . The channel of the disorder-order transition, i.e., Ti{sub x}O{sub z} (space group Fm 3-bar m)-Ti{sub 5}O{sub 5} (space group Pm 3-bar m), includes 75 superstructure vectors of seven stars (k{sub 10}), (k{sub 7}), (k{sub 6(1)}), (k{sub 6(2)}), (k{sub 4(1)}), (k{sub 4(2)}), and (k{sub 1}). The distribution functions of Ti and O atoms over the sites of the cubic Ti{sub 5}O{sub 5} superstructure are calculated. A comparison of the X-ray and electron diffraction data obtained for ordered TiO{sub 1.087} monoxide with the theoretical simulation results supports the existence of the cubic Ti{sub 5}O{sub 5} superstructure. The cubic (space group Pm 3-bar m) Ti{sub 5}O{sub 5} superstructure is shown to be a high-temperature structure relative to the well-known monoclinic (space group C2/m) superstructure of the same type.

  20. Effect of neutron irradiation on defect evolution in Ti3SiC2 and Ti2AlC

    SciTech Connect (OSTI)

    Tallman, Darin J.; He, Lingfeng; Garcia-Diaz, Brenda L.; Hoffman, Elizabeth N.; Kohse, Gordon; Sindelar, Robert L.; Barsoum, Michel W.

    2015-10-23

    Here, we report on the characterization of defects formed in polycrystalline Ti3SiC2 and Ti2AlC samples exposed to neutron irradiation – up to 0.1 displacements per atom (dpa) at 350 ± 40 °C or 695 ± 25 °C, and up to 0.4 dpa at 350 ± 40 °C. Black spots are observed in both Ti3SiC2 and Ti2AlC after irradiation to both 0.1 and 0.4 dpa at 350 °C. After irradiation to 0.1 dpa at 695 °C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. At 9 ± 3 and 10 ± 5 nm, the loop diameters in the Ti3SiC2 and Ti2AlC samples, respectively, were comparable. At 1 × 1023 loops/m3, the dislocation loop density in Ti2AlC was ≈1.5 orders of magnitude greater than in Ti3SiC2, at 3 x 1021 loops/m3. After irradiation at 350 °C, extensive microcracking was observed in Ti2AlC, but not in Ti3SiC2. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti3SiC2. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al2O3. Based on these results, Ti3SiC2 appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti2AlC.

  1. Characterization of irradiation damage distribution near TiO{sub 2}/SrTiO{sub 3} interfaces using coherent acoustic phonon interferometry

    SciTech Connect (OSTI)

    Yarotski, Dmitry; Yan Li; Jia Quanxi; Taylor, Antoinette J.; Fu Engang; Wang Yongqiang; Uberuaga, Blas P.

    2012-06-18

    We apply ultrafast coherent acoustic phonon interferometry to characterize the distribution of the radiation damage near the TiO{sub 2}/SrTiO{sub 3} interfaces. We show that the optical and mechanical properties of anatase TiO{sub 2} remain unaffected by the radiation dosages in the 0.1 Division-Sign 5 dpa (displacements per atom) range, while the degraded optical response indicates a significant defect accumulation in the interfacial region of SrTiO{sub 3} at 0.1 dpa and subsequent amorphization at 3 dpa. Comparison between the theoretical simulations and the experimental results reveals an almost threefold reduction of the sound velocity in the irradiated SrTiO{sub 3} layer with peak damage levels of 3 and 5 dpa.

  2. Thermoluminescence Characteristics of Nanocrystalline LiF Phosphors Synthesized at Different pH Values

    SciTech Connect (OSTI)

    Sharma, A. K.; Dogra, R.; Kumar, Shalendra; Mishra, S. K.; Lochab, S. P.; Kumar, Ravi

    2011-07-15

    Nanocrystalline lithium fluoride (LiF) phosphors have been prepared by the chemical co-precipitation method at different pH values (7.0, 8.0, 9.0). The formation of nanocrystalline structure has been confirmed by X-ray diffraction and transmission electron microscope. The thermolumniscence (TL) properties of LiF phosphors irradiated with gamma rays at different doses have been studied. The analysis of TL glow curve has revealed the existence of two well resolved glow peaks, one low temperature peak at around 145 deg. C and other one at higher temperature around 375 deg. C. The LiF nano-crystallites synthesized at 8.00 pH have been found to show maximum TL intensity at studied gamma doses (0.1 Gy-15 Gy).

  3. Proton mediated control of biochemical reactions with bioelectronic pH modulation

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

    Deng, Yingxin; Miyake, Takeo; Keene, Scott; Josberger, Erik E.; Rolandi, Marco

    2016-04-07

    In Nature, protons (H+) can mediate metabolic process through enzymatic reactions. Examples include glucose oxidation with glucose dehydrogenase to regulate blood glucose level, alcohol dissolution into carboxylic acid through alcohol dehydrogenase, and voltage-regulated H+ channels activating bioluminescence in firefly and jellyfish. Artificial devices that control H+ currents and H+ concentration (pH) are able to actively influence biochemical processes. Here, we demonstrate a biotransducer that monitors and actively regulates pH-responsive enzymatic reactions by monitoring and controlling the flow of H+ between PdHx contacts and solution. The present transducer records bistable pH modulation from an “enzymatic flip-flop” circuit that comprises glucose dehydrogenasemore » and alcohol dehydrogenase. Furthermore, the transducer also controls bioluminescence from firefly luciferase by affecting solution pH.« less

  4. Method of determining pH by the alkaline absorption of carbon dioxide

    DOE Patents [OSTI]

    Hobbs, David T.

    1992-01-01

    A method for measuring the concentration of hydroxides in alkaline solutions in a remote location using the tendency of hydroxides to absorb carbon dioxide. The method includes the passing of carbon dioxide over the surface of an alkaline solution in a remote tank before and after measurements of the carbon dioxide solution. A comparison of the measurements yields the absorption fraction from which the hydroxide concentration can be calculated using a correlation of hydroxide or pH to absorption fraction.

  5. Zhong Wang, Ph.D. Group Lead, Genome Analysis National Microbiome Initiative

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

    Explore Spark for Metagenome assembly Zhong Wang, Ph.D. Group Lead, Genome Analysis National Microbiome Initiative Environmental microbial communities are complex 1 10 100 1000 10000 Human Soil Number of Species Cow >90% of the species haven't been seen before Decode Metagenome Metagenome Short Reads Shotgun Sequencing Metagenome Assembly Assembled Genomes Billions of pieces Terabytes in size "Big Data" Library of Books Shredded Library "reconstructed" Library Genome ~=

  6. J-Lab scientist wins award for graphene invention he developed as a Ph.D.

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

    student at William & Mary (The College of William and Mary, Ideation) | Jefferson Lab J-Lab scientist wins award for graphene invention he developed as a Ph.D. student at William & Mary (The College of William and Mary, Ideation) External Link: http://www.wm.edu/research/ideation/science-and-technology/j-lab-scientist-wins-... By jlab_admin on Fri, 2012-06-1

  7. George Taylor, Ph.D. Founder, Palmetto Energy Institute Senior Fellow, ATI Center for Energy Studies

    Gasoline and Diesel Fuel Update (EIA)

    Copyright © 2013 PERF George Taylor, Ph.D. Founder, Palmetto Energy Institute Senior Fellow, ATI Center for Energy Studies EIA Workshop on LCOE / LACE July 25, 2013 Improving the Completeness and Accuracy of Levelized Cost of Electricity Calculations Copyright © 2013 PERF EIA 2012 Annual Energy Outlook Estimated Levelized Cost of New Generation Sources, 2017 U.S. Average Levelized Costs ($2010 per MWh) for plants entering service in 2017 Levelized Fixed Variable Trans- Total Capacity Capital

  8. pH Adjustment of Power Plant Cooling Water with Flue Gas/ Fly Ash - Energy

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

    Innovation Portal Advanced Materials Advanced Materials Find More Like This Return to Search pH Adjustment of Power Plant Cooling Water with Flue Gas/ Fly Ash Sandia National Laboratories Contact SNL About This Technology Publications: PDF Document Publication Market Sheet (801 KB) Technology Marketing SummaryIncreased recycling of power plant cooling water calls for low-cost means of preventing the formation of calcium carbonate and silicate scale. Hardness (Ca and Mg) and silica are two of

  9. Ronald D. Ripple, PhD Mervin Bovaird Professor of Energy Business and Finance

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

    natural gas markets: Prospects for US exports? Ronald D. Ripple, PhD Mervin Bovaird Professor of Energy Business and Finance The University of Tulsa, USA 2015 EIA Energy Conference Washington, D.C. June 15-16, 2015 Outline 2 ! Global natural gas ! How has the past year affected projections of global natural gas markets? ! Effects of lower prices " Will lower prices affect Australia's LNG exports? " Will lower prices affect US export opportunities? ! Shipping cost differentials ! Japan

  10. Reactions of hydrogen with V-Cr-Ti alloys

    SciTech Connect (OSTI)

    DiStefano, J.R.; DeVan, J.H.; Chitwood, L.D.; Roehrig, D.H.

    1998-09-01

    In the absence of increases in oxygen concentration, additions of up to 400 ppm hydrogen to V-4 Cr-4 Ti did not result in significant embrittlement as determined by room temperature tensile tests. However, when hydrogen approached 700 ppm after exposure at 325 C, rapid embrittlement occurred. In this latter case, hydride formation is the presumed embrittlement cause. When oxygen was added during or prior to hydrogen exposure, synergistic effects led to significant embrittlement by 100 ppm hydrogen.

  11. Synthesis and new structure shaping mechanism of silica particles formed at high pH

    SciTech Connect (OSTI)

    Zhang, Henan; Zhao, Yu; Akins, Daniel L.

    2012-10-15

    For the sol-gel synthesis of silica particles under high pH catalytic conditions (pH>12) in water/ethanol solvent, we have deduced that the competing dynamics of chemical etching and sol-gel process can explain the types of silica particles formed and their morphologies. We have demonstrated that emulsion droplets that are generated by adding tetraethyl orthosilicate (TEOS) to a water-ethanol solution serve as soft templates for hollow spherical silica (1-2 {mu}m). And if the emulsion is converted by the sol-gel process, one finds that suspended solid silica spheres of diameter of {approx}900 nm are formed. Moreover, several other factors are found to play fundamental roles in determining the final morphologies of silica particles, such as by variation of the pH (in our case, using OH{sup -}) to a level where condensation dominates; by changing the volume ratios of water/ethanol; and using an emulsifier (specifically, CTAB) - Graphical abstract: 'Local chemical etching' and sol-gel process have been proposed to interpret the control of morphologies of silica particles through varying initial pHs in syntheses. Highlights: Black-Right-Pointing-Pointer Different initial pHs in our syntheses provides morphological control of silica particles. Black-Right-Pointing-Pointer 'Local chemical etching' and sol-gel process describes the formation of silica spheres. Black-Right-Pointing-Pointer The formation of emulsions generates hollow silica particles.

  12. Diamond formation due to a pH drop during fluid–rock interactions

    SciTech Connect (OSTI)

    Sverjensky, Dimitri A.; Huang, Fang

    2015-11-03

    Diamond formation has typically been attributed to redox reactions during precipitation from fluids or magmas. Either the oxidation of methane or the reduction of carbon dioxide has been suggested, based on simplistic models of deep fluids consisting of mixtures of dissolved neutral gas molecules without consideration of aqueous ions. The role of pH changes associated with water–silicate rock interactions during diamond formation is unknown. Here we show that diamonds could form due to a drop in pH during water–rock interactions. We use a recent theoretical model of deep fluids that includes ions, to show that fluid can react irreversibly with eclogite at 900 °C and 5.0 GPa, generating diamond and secondary minerals due to a decrease in pH at almost constant oxygen fugacity. Overall, our results constitute a new quantitative theory of diamond formation as a consequence of the reaction of deep fluids with the rock types that they encounter during migration. Diamond can form in the deep Earth during water–rock interactions without changes in oxidation state.

  13. Diamond formation due to a pH drop during fluid–rock interactions

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

    Sverjensky, Dimitri A.; Huang, Fang

    2015-11-03

    Diamond formation has typically been attributed to redox reactions during precipitation from fluids or magmas. Either the oxidation of methane or the reduction of carbon dioxide has been suggested, based on simplistic models of deep fluids consisting of mixtures of dissolved neutral gas molecules without consideration of aqueous ions. The role of pH changes associated with water–silicate rock interactions during diamond formation is unknown. Here we show that diamonds could form due to a drop in pH during water–rock interactions. We use a recent theoretical model of deep fluids that includes ions, to show that fluid can react irreversibly withmore » eclogite at 900 °C and 5.0 GPa, generating diamond and secondary minerals due to a decrease in pH at almost constant oxygen fugacity. Overall, our results constitute a new quantitative theory of diamond formation as a consequence of the reaction of deep fluids with the rock types that they encounter during migration. Diamond can form in the deep Earth during water–rock interactions without changes in oxidation state.« less

  14. In Situ Spectrophotometric Determination of pH under Geologic CO2 Sequestration Conditions: Method Development and Application

    SciTech Connect (OSTI)

    Shao, Hongbo; Thompson, Christopher J.; Qafoku, Odeta; Cantrell, Kirk J.

    2013-02-25

    Injecting massive amounts of CO2 into deep geologic formations will cause a range of coupled thermal, hydrodynamic, mechanical, and chemical changes. A significant perturbation in water-saturated formations is the pH drop in the reservoir fluids due to CO2 dissolution. Knowing the pH under geological CO2 sequestration conditions is important for a better understanding of the short- and long-term risks associated with geological CO2 sequestration and will help in the design of sustainable sequestration projects. Most previous studies on CO2-rock-brine interactions have utilized thermodynamic modeling to estimate the pH. In this work, a spectrophotometric method was developed to determine the in-situ pH in CO2-H2O-NaCl systems in the presence and absence of reservoir rock by observing the spectra of a pH indicator, bromophenol blue, with a UV-visible spectrophotometer. Effects of temperature, pressure, and ionic strength on the pH measurement were evaluated. Measured pH values in CO2-H2O-NaCl systems were compared with several thermodynamic models. Results indicate that bromophenol blue can be used to accurately determine the pH of brine in contact with supercritical CO2 under geologic CO2 sequestration conditions.

  15. Influence of pH on the adsorption of uranium ions by oxidized activated carbon and chitosan

    SciTech Connect (OSTI)

    Park, G.I.; Park, H.S.; Woo, S.I.

    1999-03-01

    The adsorption characteristics of uranyl ions on surface-oxidized carbon were compared with those of powdered chitosan over a wide pH range. In particular, an extensive analysis was made on solution pH variation during the adsorption process or after adsorption equilibrium. Uranium adsorption on the two adsorbents was revealed to be strongly dependent on the initial pH of the solution. A quantitative comparison of the adsorption capacities of the two adsorbents was made, based on the isotherm data obtained at initial pH 3, 4, and 5. In order to analyze the adsorption kinetics incorporated with pH effects, batch experiments at various initial pH values were carried out, and solution pH profiles with the adsorption time were also evaluated. The breakthrough behavior in a column packed with oxidized carbon was also characterized with respect to the variation of effluent pH. Based on these experimental results, the practical applicability of oxidized carbon for uranium removal from acidic radioactive liquid waste was suggested.

  16. LaTiO₃/KTaO₃ interfaces: A new two-dimensional electron gas system

    SciTech Connect (OSTI)

    Zou, K.; Ismail-Beigi, Sohrab; Kisslinger, Kim; Shen, Xuan; Su, Dong; Walker, F. J.; Ahn, C. H.

    2015-03-01

    We report a new 2D electron gas (2DEG) system at the interface between a Mott insulator, LaTiO₃, and a band insulator, KTaO₃. For LaTiO₃/KTaO₃ interfaces, we observe metallic conduction from 2 K to 300 K. One serious technological limitation of SrTiO₃-based conducting oxide interfaces for electronics applications is the relatively low carrier mobility (0.5-10 cm²/V s) of SrTiO₃ at room temperature. By using KTaO₃, we achieve mobilities in LaTiO₃/KTaO₃ interfaces as high as 21 cm²/V s at room temperature, over a factor of 3 higher than observed in doped bulk SrTiO₃. By density functional theory, we attribute the higher mobility in KTaO₃ 2DEGs to the smaller effective mass for electrons in KTaO₃.

  17. LaTiO₃/KTaO₃ interfaces: A new two-dimensional electron gas system

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

    Zou, K.; Ismail-Beigi, Sohrab; Kisslinger, Kim; Shen, Xuan; Su, Dong; Walker, F. J.; Ahn, C. H.

    2015-03-01

    We report a new 2D electron gas (2DEG) system at the interface between a Mott insulator, LaTiO₃, and a band insulator, KTaO₃. For LaTiO₃/KTaO₃ interfaces, we observe metallic conduction from 2 K to 300 K. One serious technological limitation of SrTiO₃-based conducting oxide interfaces for electronics applications is the relatively low carrier mobility (0.5-10 cm²/V s) of SrTiO₃ at room temperature. By using KTaO₃, we achieve mobilities in LaTiO₃/KTaO₃ interfaces as high as 21 cm²/V s at room temperature, over a factor of 3 higher than observed in doped bulk SrTiO₃. By density functional theory, we attribute the higher mobilitymore » in KTaO₃ 2DEGs to the smaller effective mass for electrons in KTaO₃.« less

  18. Laser cladding of Ti-6Al-4V with various carbide powders

    SciTech Connect (OSTI)

    Folkes, J.A.; Shibata, K. )

    1994-06-01

    Laser cladding Ti-6Al-4V can be achieved with various weight percentages of different carbide powders. The microstructure and morphology of the clad layer is determined by the cladding powder composition, for a given set of laser parameters, such that 10 and 20 wt% Cr[sub 3]C[sub 2] results in a [beta] + TiC clad microstructure; 10 and 20 wt% WC results in an [alpha] + TiC clad microstructure (plus some original WC); and Mo[sub 2]C gives an [alpha] + [beta] + TiC or [beta] + TiC structure, depending on the weight percentage of Mo[sub 2]C. The morphology of the TiC in all cases is dendritic or feathery, depending on the carbide content. The microstructure observed in all cases agreed well with that theoretically predicted from the energetics of carbide formation and [beta]-stabilizing properties of each element.

  19. Heterojunction band offsets and dipole formation at BaTiO{sub 3}/SrTiO{sub 3} interfaces

    SciTech Connect (OSTI)

    Balaz, Snjezana; Zeng, Zhaoquan; Brillson, Leonard J.; Department of Physics, The Ohio State University, 191 West Woodruff, Columbus, Ohio 43210

    2013-11-14

    We used a complement of photoemission and cathodoluminescence techniques to measure formation of the BaTiO{sub 3} (BTO) on SrTiO{sub 3} (STO) heterojunction band offset grown monolayer by monolayer by molecular beam epitaxy. X-ray photoemission spectroscopy (XPS) provided core level and valence band edge energies to monitor the valence band offset in-situ as the first few crystalline BTO monolayers formed on the STO substrate. Ultraviolet photoemission spectroscopy (UPS) measured Fermi level positions within the band gap, work functions, and ionization potentials of the growing BTO film. Depth-resolved cathodoluminescence spectroscopy measured energies and densities of interface states at the buried heterojunction. Kraut-based XPS heterojunction band offsets provided evidence for STO/BTO heterojunction linearity, i.e., commutativity and transitivity. In contrast, UPS and XPS revealed a large dipole associated either with local charge transfer or strain-induced polarization within the BTO epilayer.

  20. Anisotropic swelling and microcracking of neutron irradiated Ti3AlC2-Ti5Al2C3 materials

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

    Ang, Caen K.; Silva, Chinthaka M.; Shih, Chunghao Phillip; Koyanagi, Takaaki; Katoh, Yutai; Zinkle, Steven J.

    2015-12-17

    Mn + 1AXn (MAX) phase materials based on Ti–Al–C have been irradiated at 400 °C (673 K) with fission neutrons to a fluence of 2 × 1025 n/m2 (E > 0.1 MeV), corresponding to ~ 2 displacements per atom (dpa). We report preliminary results of microcracking in the Al-containing MAX phase, which contained the phases Ti3AlC2 and Ti5Al2C3. Equibiaxial ring-on-ring tests of irradiated coupons showed that samples retained 10% of pre-irradiated strength. Volumetric swelling of up to 4% was observed. Phase analysis and microscopy suggest that anisotropic lattice parameter swelling caused microcracking. Lastly, variants of titanium aluminum carbide may bemore » unsuitable materials for irradiation at light water reactor-relevant temperatures.« less

  1. Effect Of The Plasma Deposition Parameters On The Properties Of Ti/TiN Multilayers For Hard Coatings Applications

    SciTech Connect (OSTI)

    Saoula, N.; Henda, K.; Kesri, R.

    2008-09-23

    In this study, we present the effect of the plasma deposition parameters on the mechanical properties of Ti/TiN multilayers. The elaboration of our films has been carried out by RF-Magnetron Sputtering (13.56 MHz) under nitrogen and argon reactive plasma at low pressure. The film depositions have been done on steel substrates. The first step of our study was the optimization of the depositions conditions in order to obtain good quality films. The amount of nitrogen in the sputtering gases being fixed at 10%. The total pressure was set between 2mTorr to 10mTorr. The deposited multilayers were characterized by X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), atomic force microscopy (AFM) and micro-indentation.

  2. Spin and orbital Ti magnetism at LaMnO3/SrTiO3 interfaces

    SciTech Connect (OSTI)

    Garcial-Barriocanal, J; Cezar, J. C.; Bruno, F. Y.; Thakur, P.; Brookes, N. B.; Utfeld, C.; Riviera-Calzada, A.; Giblin, S. R.; Taylor, J. W.; Duffy, J. A.; Dugdale, S. B.; Nakamura, T.; Kodama, K.; Leon, C.; Okamoto, Satoshi; Santamaria, J.

    2010-01-01

    In systems with strong electron-lattice coupling, such as manganites, orbital degeneracy is lifted, what causes a null expectation value of the orbital moment. Magnetic structure is thus determined by spin-spin superexchange. In titanates, however, with much smaller Jahn-Teller distortions, orbital degeneracy might allow non-zero values of the orbital magnetic moment. Accordingly, novel forms of ferromagnetic superexchange interaction unique to t2g electrons systems have been theoretically predicted, although their experimental observation has remained elusive. Here we report a new kind of Ti3+ ferromagnetism at LaMnO3/SrTiO3 epitaxial interfaces. It results from charge transfer to the empty conduction band of the titanate and has spin and orbital contributions evidencing the role played by orbital degeneracy. The possibility of tuning magnetic alignment (ferromagnetic or antiferromagnetic) of Ti and Mn moments by structural parameters is demonstrated. This result will provide important clues for the understanding of the effects of orbital degeneracy in superexchange coupling.

  3. Self-assembled Ni/TiO{sub 2} nanocomposite anodes synthesized...

    Office of Scientific and Technical Information (OSTI)

    Ni(core)TiOsub 2(shell) nanocomposite anodes were fabricated on three-dimensional, self-assembled nanotemplates of Tobacco mosaic virus using atomic layer deposition, exhibiting ...

  4. Large oriented arrays and continuous films of TiO2 based nanotubes.

    SciTech Connect (OSTI)

    Xu, Huifang; Liu, Jun; Voigt, James A.; Tian, Zhengrong Ryan; McKenzie, Bonnie Beth

    2003-08-01

    We report for the first time a one-step, templateless method to directly prepare large arrays of oriented TiO{sub 2}-based nanotubes and continuous films. These titania nanostructures can also be easily prepared as conformal coatings on a substrate. The nanostructured films were formed on a Ti substrate seeded with TiO{sub 2} nanoparticles. SEM and TEM results suggested that a folding mechanism of sheetlike structures was involved in the formation of the nanotubes. The oriented arrays of TiO{sub 2} nanotubes, continuous films, and coatings are expected to have potentials for applications in catalysis, filtration, sensing, photovoltaic cells, and high surface area electrodes.

  5. Impact of symmetry on the ferroelectric properties of CaTiO3...

    Office of Scientific and Technical Information (OSTI)

    properties of CaTiO3 thin films Citation Details ... Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA Department of Materials Science ...

  6. Mechanisms of Oriented Attachment of TiO2 Nanocrystals in Vacuum...

    Office of Scientific and Technical Information (OSTI)

    Mechanisms of Oriented Attachment of TiO2 Nanocrystals in Vacuum and Humid Environments: Reactive Molecular Dynamics Citation Details In-Document Search Title: Mechanisms of ...

  7. Synthesis of Highly Ordered TiO2 Nanotubes Using Ionic Liquids for Photovoltaics Applications

    SciTech Connect (OSTI)

    2009-04-01

    This factsheet describes a study that deals with a new, green approach of synthesizing highly ordered TiO2 nanotubes using ionic liquids for photovoltaics (PV) applications.

  8. A nano lamella NbTi–NiTi composite with high strength

    SciTech Connect (OSTI)

    Jiang, Jiang; Jiang, Daqiang; Hao, Shijie; Yu, Cun; Zhang, Junsong; Ren, Yang; Lu, Deping; Xie, Shifang; Cui, Lishan

    2015-05-01

    A hypereutectic Nb60Ti24Ni16 (at%) alloy was prepared by vacuum induction melting, and a nano lamellae NbTi-NiTi composite was obtained by hot-forging and wire-drawing of the ingot Microscopic analysis showed that NbTi and NiTi nano lamellae distributed alternatively in the composite, and aligned along the wire axial direction, with a high volume fraction (similar to 70%) of NbTi nano lamellae. In situ synchrotron X-ray diffraction analysis revealed that stress induced martensitic transformation occurred upon loading, which would effectively weaken the stress concentration at the interface and avoid the introduction of defects into the nano reinforced phase. Then the embedded NbTi nano lamellae exhibited a high elastic strain up to 2.72%, 1.5 times as high as that of the Nb nanowires embedded in a conventional plastic matrix, and the corresponding stress carried by NbTi was evaluated as 2.53 GPa. The high volume fraction of NbTi nano lamellae improved the translation of high strength from the nano reinforced phase into bulk properties of the composite, with a platform stress of similar to 1.7 GPa and a fracture strength of similar to 1.9 GPa. (C) 2015 Elsevier B.V. All rights reserved.

  9. QUANTIFYING COMPOSITIONAL HOMOGENEITY IN Pb(ZrTi)O3 USING ATOM...

    Office of Scientific and Technical Information (OSTI)

    Title: QUANTIFYING COMPOSITIONAL HOMOGENEITY IN Pb(ZrTi)O3 USING ATOM PROBE TOMOGRAPHY. Abstract not provided. Authors: Ihlefeld, Jon F. ; Kotula, Paul Gabriel ; Brennecka, ...

  10. Investigation of carbon-coated lithiated Li{sub 4+x}Ti{sub 5...

    Office of Scientific and Technical Information (OSTI)

    and capacity retention. * TiOsub 2 nanoparticles and carbon coating are necessary for ... LITHIUM OXIDES; LITHIUM TITANATES; NANOPARTICLES; NANOSTRUCTURES; STABILITY; SYNTHESIS; ...

  11. Epitaxial Cr on n-SrTiO3(001)An ideal Ohmic contact

    SciTech Connect (OSTI)

    Capan, Cigdem; Sun, Guangyuan; Bowden, Mark E.; Chambers, Scott A.

    2012-01-30

    Epitaxial Cr metallizations grown on n-SrTiO3(001) by molecular beam epitaxy are shown to result in an ordered interface with Cr bound to O in the terminal TiO2 layer, no reduction of the SrTiO3, and a near-perfect Ohmic contact. Cr/n-SrTiO3(001) thus constitutes an ideal interface between a pure metal and wide gap oxide in which interface redox chemistry does not occur, and the Fermi level remains unpinned.

  12. Epitaxial Cr on n-SrTiO{sub 3}(001) - An ideal Ohmic contact

    SciTech Connect (OSTI)

    Capan, C.; Sun, G. Y.; Bowden, M. E.; Chambers, S. A.

    2012-01-30

    Epitaxial Cr metallizations grown on n-SrTiO{sub 3}(001) by molecular beam epitaxy are shown to result in an ordered interface with Cr bound to O in the terminal TiO{sub 2} layer, no reduction of the SrTiO{sub 3}, and a near-perfect Ohmic contact. Cr/n-SrTiO{sub 3}(001) thus constitutes an ideal interface between a pure metal and wide gap oxide in which interface redox chemistry does not occur, and the Fermi level remains unpinned.

  13. Features of a priori heavy doping of the n-TiNiSn intermetallic semiconductor

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Hlil, E. K.; Stadnyk, Yu. V.; Budgerak, S. M.

    2011-07-15

    The crystal structure, the distribution of electron density, and the energy, kinetic, and magnetic properties of the n-TiNiSn intermetallic semiconductor are investigated. It is shown that a priori doping of n-TiNiSn with donors originates from partial, up to 0.5 at %, redistribution of Ti and Ni atoms in crystallographic sites of Ti atoms. The correlation is established between the donor concentration, amplitude of modulation of the continuous energy bands, and degree of filling of low-scale fluctuation potential wells with charge carriers. The results obtained are discussed within the Shklovskii-Efros model of a heavily doped and compensated semiconductor.

  14. Differences in chemical doping matter: Superconductivity in Ti1-xTaxSe2 but not in Ti1-xNbxSe2

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

    Luo, Huixia; Zhu, Yimei; Xie, Weiwei; Tao, Jing; Pletikosic, Ivo; Valla, Tonica; Sahasrabudhe, Girija S.; Osterhoudt, Gavin; Sutton, Eric; Burch, Kenneth S.; et al

    2016-02-21

    We report that 1T-TiSe2, an archetypical layered transition metal dichalcogenide, becomes superconducting when Ta is substituted for Ti but not when Nb is substituted for Ti. This is unexpected because Nb and Ta should be chemically equivalent electron donors. Superconductivity emerges near x = 0.02 for Ti1–xTaxSe2, while, for Ti1–xNbxSe2, no superconducting transitions are observed above 0.4 K. The equivalent chemical nature of the dopants is confirmed by X-ray photoelectron spectroscopy. ARPES and Raman scattering studies show similarities and differences between the two systems, but the fundamental reasons why the Nb and Ta dopants yield such different behavior are unknown.more » We present a comparison of the electronic phase diagrams of many electron-doped 1T-TiSe2 systems, showing that they behave quite differently, which may have broad implications in the search for new superconductors. Here, we propose that superconducting Ti0.8Ta0.2Se2 will be suitable for devices and other studies based on exfoliated crystal flakes.« less

  15. The role of double TiO2 layers at the interface of FeSe/SrTiO3 superconductors

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

    Zou, Ke; Bozovic, Ian; Mandal, Subhasish; Albright, Stephen; Peng, Rui; Kumah, Divine; Simon, Georg; Dagdeviren, Omur; He, Xi; Schwarz, Udo; et al

    2016-05-16

    Here, we determine the surface reconstruction of SrTiO3 used to achieve superconducting FeSe films in experiments, which is different from the 1×1 TiO2-terminated SrTiO3 assumed by most previous theoretical studies. In particular, we identify the existence of a double TiO2 layer at the FeSe/SrTiO3 interface that plays two important roles. First, it facilitates the epitaxial growth of FeSe. Second, ab initio calculations reveal a strong tendency for electrons to transfer from an oxygen deficient SrTiO3 surface to FeSe when the double TiO2 layer is present. The double layer helps to remove the hole pocket in the FeSe at the Γmore » point of the Brillouin zone and leads to a band structure characteristic of superconducting samples. The characterization of the interface structure presented here is a key step towards the resolution of many open questions about this superconductor.« less

  16. In situ investigation of the early stage of TiO{sub 2} epitaxy on (001) SrTiO{sub 3}

    SciTech Connect (OSTI)

    Radovic, M.; Salluzzo, M.; Vaglio, R.; Granozio, F. Miletto; Ristic, Z.; Di Capua, R.; Lampis, N.

    2011-07-21

    We report on a systematic study of the growth of epitaxial TiO{sub 2} films deposited by pulsed laser deposition on Ti-terminated SrTiO{sub 3} (001) single crystals. By using in situ reflection high energy electron diffraction, low energy electron diffraction, x-ray photoemission spectroscopy, and scanning probe microscopy, we show that the stabilization of the anatase (001) phase is preceded by the growth of a few nanometers thick pseudomorphic Sr{sub x}TiO{sub 2+y} (x, y < 1) intermediate layer. The data demonstrate that the formation of this intermediate phase is related to the activation of a long range Sr migration from the SrTiO{sub 3} substrate into the film. Our results enrich the phase diagram of the Sr-Ti-O system under epitaxial strain opening a route for the study of the electronic and dielectric properties of the reported Sr-deficient SrTiO{sub 3} phase.

  17. PH Sensitive Polymers for Improving Reservoir Sweep and Conformance Control in Chemical Flooring

    SciTech Connect (OSTI)

    Mukul Sharma; Steven Bryant; Chun Huh

    2008-03-31

    There is an increasing opportunity to recover bypassed oil from depleted, mature oilfields in the US. The recovery factor in many reservoirs is low due to inefficient displacement of the oil by injected fluids (typically water). The use of chemical flooding methods to increase recovery efficiencies is severely constrained by the inability of the injected chemicals to contact the bypassed oil. Low sweep efficiencies are the primary cause of low oil recoveries observed in the field in chemical flooding operations even when lab studies indicate high oil recovery efficiency. Any technology that increases the ability of chemical flooding agents to better contact the remaining oil and reduce the amount of water produced in conjunction with the produced oil will have a significant impact on the cost of producing oil domestically in the US. This translates directly into additional economically recoverable reserves, which extends the economic lives of marginal and mature wells. The objective of this research project was to develop a low-cost, pH-triggered polymer for use in IOR processes to improve reservoir sweep efficiency and reservoir conformance in chemical flooding. Rheological measurements made on the polymer solution, clearly show that it has a low viscosity at low pH and exhibits a sudden increase in viscosity (by 2 orders of magnitude or more) at a pH of 3.5 to 4. This implies that the polymer would preferentially flow into zones containing water since the effective permeability to water is highest in these zones. As the pH of the zone increases due to the buffering capacity of the reservoir rock, the polymer solution undergoes a liquid to gel transition causing a sharp increase in the viscosity of the polymer solution in these zones. This allows operationally robust, in-depth conformance treatment of such water bearing zones and better mobility control. The rheological properties of HPAM solutions were measured. These include: steady-shear viscosity and

  18. A novel 3D structure composed of strings of hierarchical TiO{sub 2} spheres formed on TiO{sub 2} nanobelts with high photocatalytic properties

    SciTech Connect (OSTI)

    Jiang, Yongjian; Li, Meicheng; Song, Dandan; Li, Xiaodan; Yu, Yue

    2014-03-15

    A novel hierarchical titanium dioxide (TiO{sub 2}) composite nanostructure with strings of anatase TiO{sub 2} hierarchical micro-spheres and rutile nanobelts framework (TiO{sub 2} HSN) is successfully synthesized via a one-step hydrothermal method. Particularly, the strings of hierarchical spheres are assembled by very thin TiO{sub 2} nanosheets, which are composed of highly crystallized anatase nanocrystals. Meanwhile, the HSN has a large surface area of 191 m{sup 2}/g, which is about 3 times larger than Degussa P25. More importantly, the photocatalytic activity of HSN and P25 were evaluated by the photocatalytic oxidation decomposition of methyl orange (MO) under UV light illumination, and the TiO{sub 2} HSN shows enhanced photocatalytic activity compared with Degussa P25, as result of its continuous hierarchical structures, special conductive channel and large specific surface area. With these features, the hierarchical TiO{sub 2} may have more potential applications in the fields of dye-sensitized solar cells and lithium ion batteries. -- Graphical abstract: Novel TiO{sub 2} with anatase micro-spheres and rutile nanobelts is synthesized. Enhanced photocatalysis is attributed to hierarchical structures (3D spheres), conductive channel (1D nanobelts) and large specific surface area (2D nanosheet). Highlights: • The novel TiO{sub 2} nanostructure (HSN) is fabricated for the first time. • HSN is composed of strings of anatase hierarchical spheres and rutile nanobelt. • HSN presents a larger S{sub BET} of 191 m{sup 2}/g, 3 times larger than the Degussa P25 (59 m{sup 2}/g). • HSN owns three kinds of dimensional TiO{sub 2} (1D, 2D and 3D) simultaneously. • HSN exhibits better photocatalytic performance compared with Degussa P25.

  19. Development of On-Line Spectroscopic pH Monitoring for Nuclear Fuel Reprocessing Plants: Weak Acid Schemes

    SciTech Connect (OSTI)

    Casella, Amanda J.; Hylden, Laura R.; Campbell, Emily L.; Levitskaia, Tatiana G.; Peterson, James M.; Smith, Frances N.; Bryan, Samuel A.

    2015-05-19

    Knowledge of real-time solution properties and composition is a necessity for any spent nuclear fuel reprocessing method. Metal-ligand speciation in aqueous solutions derived from the dissolved commercial spent fuel is highly dependent upon the acid concentration/pH, which influences extraction efficiency and the resulting speciation in the organic phase. Spectroscopic process monitoring capabilities, incorporated in a counter current centrifugal contactor bank, provide a pathway for on-line real-time measurement of solution pH. The spectroscopic techniques are process-friendly and can be easily configured for on-line applications, while classic potentiometric pH measurements require frequent calibration/maintenance and have poor long-term stability in aggressive chemical and radiation environments. Our research is focused on developing a general method for on-line determination of pH of aqueous solutions through chemometric analysis of Raman spectra. Interpretive quantitative models have been developed and validated under the range of chemical composition and pH using a lactic acid/lactate buffer system. The developed model was applied to spectra obtained on-line during solvent extractions performed in a centrifugal contactor bank. The model predicted the pH within 11% for pH > 2, thus demonstrating that this technique could provide the capability of monitoring pH on-line in applications such as nuclear fuel reprocessing.

  20. Solar photocatalytic activities of porous Nb-doped TiO{sub 2} microspheres by coupling with tungsten oxide

    SciTech Connect (OSTI)

    Kou, Yanqiang; Yang, Jikai; Li, Bing; Fu, Shencheng

    2015-03-15

    Highlights: Nb-TiO{sub 2}/WO{sub 3} was prepared by USP method combined impregnation method. Nb-doping extend the spectral absorption of TiO{sub 2} into visible spectrum. Nb-TiO{sub 2}/WO{sub 3} has a similar optical band gap as Nb-TiO{sub 2}. PL spectra indicate WO{sub 3} can accept the photoexcited electrons from Nb-TiO{sub 2}. Nb-TiO{sub 2}/WO{sub 3} shows higher activity than TiO{sub 2} and Nb-TiO{sub 2} under solar light. - Abstract: Nb doped TiO{sub 2} microspheres modified with WO{sub 3} (Nb-TiO{sub 2}/WO{sub 3}) was prepared by ultrasonic spray pyrolysis method combined with impregnation method. The microspheres were characterized with SEM, TEM, XRD, BET, photoluminescence and UVvis absorption spectra. The Nb-doping was observed to extend the spectral absorption of TiO{sub 2} into visible spectrum, and the absorption onset was red-shifted for about 88 nm compared to pristine TiO{sub 2} microspheres. Nb-TiO{sub 2}/WO{sub 3} microspheres do not display a red-shifted absorption edge compared with Nb doped TiO{sub 2} microspheres. Under solar irradiation, Nb-TiO{sub 2}/WO{sub 3} microspheres showed higher photocatalytic activity for methylene blue degradation compared with that of pure TiO{sub 2} microspheres and Nb doped TiO{sub 2} microspheres, which could be ascribed to the extended light absorption range and the suppression of electron-hole pair recombination.

  1. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination

    SciTech Connect (OSTI)

    Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke

    2014-07-01

    A new oxychloride Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) and c=19.3345(2) . Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is a new n=4 member of the oxychloride perovskite-based homologous series A{sub n+1}B{sub n}O{sub 3n?1}Cl. The structure is built of truncated Pb{sub 3}Fe{sub 3}TiO{sub 11} quadruple perovskite blocks separated by CsCl-type Pb{sub 2}Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O{sub 6} octahedra sandwiched between two layers of (Fe,Ti)O{sub 5} square pyramids. The Ti{sup 4+} cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti{sup 4+} in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) ?{sub B} and 3.86(5) ?{sub B} on the octahedral and square-pyramidal sites, respectively. - Highlights: Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl has been synthesized using the solid state method. The structure has been refined using neutron powder diffraction data at 1.5550 K. It is a new n=4 member of the perovskite-related homologous series A{sub n+1}B{sub n}O{sub 3n?1}Cl. Ti{sup 4+} cations have both octahedral and square-pyramidal coordination environment. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below T{sub N}?450 K.

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

    SciTech Connect (OSTI)

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

    2013-05-01

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

  3. Method of determining pH by the alkaline absorption of carbon dioxide

    DOE Patents [OSTI]

    Hobbs, D.T.

    1992-10-06

    A method is described for measuring the concentration of hydroxides in alkaline solutions in a remote location using the tendency of hydroxides to absorb carbon dioxide. The method includes the passing of carbon dioxide over the surface of an alkaline solution in a remote tank before and after measurements of the carbon dioxide solution. A comparison of the measurements yields the absorption fraction from which the hydroxide concentration can be calculated using a correlation of hydroxide or pH to absorption fraction. 2 figs.

  4. ORISE report shows number of health physics Ph.D.s declined in 2009

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

    ORISE report shows number of health physics Ph.D.s declined in 2009 FOR IMMEDIATE RELEASE June 15, 2010 FY10-37 OAK RIDGE, Tenn.-Health physics undergraduate degrees increased slightly in 2009 continuing a six-year trend, but doctorate degrees reported a 40-year low, says a report recently released by the Oak Ridge Institute for Science and Education. The report also showed the number of M.S. degrees was 21 percent less than in 2008. The ORISE report, Health Physics Enrollments and Degrees

  5. ORISE: After a Brief Decline, Recent Foreign Ph.D. Graduates are Staying in

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

    the U.S. at Near-record Levels After a Brief Decline, Recent Foreign Ph.D. Graduates are Staying in the U.S. at Near-record Levels FOR IMMEDIATE RELEASE: Feb. 3, 2010 FY10-20 OAK RIDGE, Tenn.-Two years after completing doctoral degrees at United States (U.S.) universities, 67% of foreign students graduating in 2005 remained in the U.S., according to a new report issued by the Oak Ridge Institute for Science and Education (ORISE) and funded by the National Science Foundation (NSF). This is a

  6. Davinia Salvachúa Rodríguez, Ph.D. | Bioenergy | NREL

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

    Davinia Salvachúa Rodríguez Davinia Salvachúa Rodríguez, Ph.D. Staff Scientist Davinia.Salvachua@nrel.gov | 303-384-7699 Research Interests Lignin conversion by fungi and bacteria to value-added compounds (Figure 1) Ligninolytic enzymes: a tool for lignin depolymerization (Figure 1) Biomass sugars upgrading to advanced biofuels and valuable co-products (Figure 2) Development of fermentation strategies to produce diverse organic acids (i.e. succinic acid, muconic acid, hexanoic acid) by

  7. Validation of pH meters, balances and other supporting laboratory equipment

    SciTech Connect (OSTI)

    Noon, J.P.

    1995-12-01

    Good Laboratory Practice Standards specify that equipment used for the generation, measurement or assessment of data shall be adequately tested, calibrated and/or standardized, inspected, cleaned and maintained. The validation of less sophisticated instruments and equipment, such as pH meters and balances, is often given little attention when validation procedures are discussed. In this presentation the salient factors to consider when establishing validation strategies for several specific ancillary pieces of equipment will be reviewed. In addition, practical procedures including form for entering validation data and frequency of validation operations will be presented.

  8. Effect of different processes and Ti/Zn molar ratios on the structure, morphology, and enhanced photoelectrochemical and photocatalytic performance of Ti3+ self-doped titanium–zinc hybrid oxides

    SciTech Connect (OSTI)

    Fu, Rongrong; Wang, Qingyao; Gao, shanmin; Wang, Zeyan; Huang, Baibiao; Dai, Ying; Lu, Jun

    2015-07-01

    Ti3+ self-doped titanium–zinc hybrid oxides with different phase compositions and morphologies were successfully synthesized using Zn powder as the reductant and Zn source by a chemical-reduction precipitation method with subsequent thermal treatment. The fabricated Ti3+ self-doped TiO2(A)/TiO2(R), TiO2(A)/TiO2(R)/ZnTiO3, and TiO2(A)/ZnO heterojunctions were characterized by X-ray diffraction, transmission electron microscopy, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and UV–Vis diffuse reflectance spectroscopy. The effects of various Ti/Zn molar ratios and preparation processes on the structural, morphological, optical, photocurrent and photocatalytic properties of the resultant samples were investigated systematically. Results reveal that Ti3+ self-doping enhances the photoabsorption capability of titanium–zinc hybrid oxides in the visible-light region. Moreover, different processes and Ti/Zn molar ratios play great influences on the structure, morphology, optical, photocurrent and photocatalytic properties of the final products. Ti3+ self-doped titanium–zinc hybrid oxides exhibit excellent photocurrent and photocatalytic activity than pure TiO2 and ZnTiO3 under visible-light irradiation (λ ≥ 400 nm). The most active Ti3+ self-doped titanium–zinc hybrid oxides photoanode presents significantly improved water splitting performance. The synergistic effect between the Ti3+ self-doped and heterojunctions is responsible for the enhanced performance of these materials.

  9. Visible light photocatalytic degradation of 4-chlorophenol using vanadium and nitrogen co-doped TiO{sub 2}

    SciTech Connect (OSTI)

    Jaiswal, R.; Kothari, D. C.; Patel, N.; Miotello, A.

    2013-02-05

    Vanadium and Nitrogen were codoped in TiO{sub 2} photocatalyst by Sol-gel method to utilize visible light more efficiently for photocatalytic reactions. A noticeable shift of absorption edge to visible light region was obtained for the singly-doped namely V-TiO{sub 2}, N-TiO{sub 2} and codoped V-N-TiO{sub 2} samples in comparison with undoped TiO{sub 2}, with smallest band gap obtained with codoped-TiO{sub 2}. The photocatalytic activities for all TiO{sub 2} photocatalysts were tested by 4-chlorophenol (organic pollutant) degradation under visible light irradiation. It was found that codoped TiO{sub 2} exhibits the best photocatalytic activity, which could be attributed to the synergistic effect produced by V and N dopants.

  10. Epitaxial single-crystal thin films of MnxTi1-xO2-δ grown on...

    Office of Scientific and Technical Information (OSTI)

    on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory Citation ... on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory ...

  11. High temperature tensile properties of V-4Cr-4Ti

    SciTech Connect (OSTI)

    Zinkle, S.J.; Rowcliffe, A.F.; Stevens, C.O.

    1998-09-01

    Tensile tests have been performed on V-4Cr-4Ti at 750 and 800 C in order to extend the data base beyond the current limit of 700 C. From comparison with previous measurements, the yield strength is nearly constant and tensile elongations decrease slightly with increasing temperature between 300 and 800 C. The ultimate strength exhibits an apparent maximum near 600 C (attributable to dynamic strain aging) but adequate strength is maintained up to 800 C. The reduction in area measured on tensile specimens remained high ({approximately}80%) for test temperatures up to 800 C, in contrast to previous reported results.

  12. Injection mode-locking Ti-sapphire laser system

    DOE Patents [OSTI]

    Hovater, James Curtis; Poelker, Bernard Matthew

    2002-01-01

    According to the present invention there is provided an injection modelocking Ti-sapphire laser system that produces a unidirectional laser oscillation through the application of a ring cavity laser that incorporates no intracavity devices to achieve unidirectional oscillation. An argon-ion or doubled Nd:YVO.sub.4 laser preferably serves as the pump laser and a gain-switched diode laser serves as the seed laser. A method for operating such a laser system to produce a unidirectional oscillating is also described.

  13. HNF-SD-WM-TI-740, Rev. OA

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

    84045. HNF-SD-WM-TI-740, Rev. OA Standard Inventories of Chemicals and Radionuclides in Hanford Site Ta nk Wastes M. J. Kupfer, A. L. Boldt, B. A. Higley, K. M. Hodgson, L. W. Shelton, B. C. Simpson, and R. A. Watrous (LMHC); M. 0. LeClair (SAIC); G. 1. Borsheim (BA); R. T. Winward (MA); R. M. Orme (NHC); N. 6. Colton (PNNL); S. 1. Lambert and D. E. Place (SESC); and W. W. SchulZ (W 2 S) Lockheed Martin Hanford Corporation, Richland, WA 99352 U.S. Department of Energy Contract DE-AC06-96RL13200

  14. HNF-SD-WM-TI-740, Rev. OC

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

    84047 HNF-SD-WM-TI-740, Rev. OC Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes M. J. Kupfer, A. L. Boldt, K. N. Hodgson, L. W. Shelton, B. C. Simpson, and R. A. Watrous (LMHC); M. D. LeClair (SAIC); G. 1. Borsheim (BA); R. T. Winward (MA); B. A. Higley and R. M. Orme (NHC); N. G. Colton (PNNL); S. L. Lambert and D. E. Place (Cogema); and W. W. Schulz (112S) Lockheed Martin Hanford Corporation, Richland, WA 99352 U.S. Department of Energy Contract

  15. Stable atomic structure of NiTi austenite

    SciTech Connect (OSTI)

    Zarkevich, Nikolai A; Johnson, Duane D

    2014-08-01

    Nitinol (NiTi), the most widely used shape-memory alloy, exhibits an austenite phase that has yet to be identified. The usually assumed austenitic structure is cubic B2, which has imaginary phonon modes, hence it is unstable. We suggest a stable austenitic structure that on average has B2 symmetry (observed by x-ray and neutron diffraction), but it exhibits finite atomic displacements from the ideal B2 sites. The proposed structure has a phonon spectrum that agrees with that from neutron scattering, has diffraction spectra in agreement with x-ray diffraction, and has an energy relative to the ground state that agrees with calorimetry data.

  16. Measurements of Eh and pH in Compacted MX-80 Bentonite

    SciTech Connect (OSTI)

    Carlsson, Torbjoern; Muurinen, Arto

    2007-07-01

    The low-content free water and high swelling pressure in compacted bentonite, planned to be used as a buffer in nuclear waste repositories, create adverse conditions for direct measurements of the chemical conditions. This paper presents laboratory results from online measurements with Eh and pH electrodes in water-saturated compacted MX-80 bentonite. The Eh was measured with Au and Pt wires as electrodes, while the pH was determined with IrOx electrodes. The latter were prepared in accordance with the method by Yao et al. [1]. The measurements were carried out in two types of cells: 'squeezing cells' and 'diffusion cells'. The squeezing cell excludes almost completely all chemical interactions between the sample and the surrounding environment outside the cell. The diffusion cell, on the other hand, contains a sample that stays in contact with an external solution and therefore allows following of the physico-chemical interaction between the sample and the external solution. The measuring electrodes were positioned inside the cell in the compacted bentonite, while the reference electrode was positioned outside the cell. (authors)

  17. Nonlinear ultrasonic characterization of precipitation in 17-4PH stainless steel

    SciTech Connect (OSTI)

    Matlack, Kathryn; Bradley, Harrison A.; Thiele, Sebastian; Kim, Jin-Yeon; Wall, James J.; Jung, Hee Joon; Qu, Jianmin; Jacobs, Laurence J.

    2015-04-01

    The extension of operational lifetime of most US nuclear reactors will cause reactor pressure vessel to be exposed to increased levels of neutron radiation damage. This research is part of a broader effort to develop a nondestructive evaluation technique to monitor radiation damage in reactor pressure vessel steels. The main contributor to radiation embrittlement in these steels is the formation of copper-rich precipitates. In this work, a precipitate hardenable martensitic alloy, 17-4PH stainless steel is exposed to thermal aging treatments, and used as a surrogate material to study the effects of copper precipitates on the measured acoustic nonlinearity parameter. Previous work has demonstrated the effectiveness of these nonlinear ultrasonic (NLU) measurements in the characterization of radiation-induced microstructural changes in neutron irradiated reactor pressure vessel steels. NLU measurements using Rayleigh surface waves are performed on 17-4PH samples subjected to isothermal aging. NLU measurements are interpreted with hardness, thermo-electric power, TEM, and atom probe tomography measurements. The Rayleigh wave measurements showed a decrease in the acoustic nonlinearity parameter with increasing aging time, consistent with evidence of increasing number density of nucleated precipitates.

  18. Monomer volume fraction profiles in pH responsive planar polyelectrolyte brushes

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

    Mahalik, Jyoti P.; Yang, Yubo; Deodhar, Chaitra V.; Ankner, John Francis; Lokitz, Bradley S.; Kilbey, II, S. Michael; Sumpter, Bobby G.; Kumar, Rajeev

    2016-03-06

    Spatial dependencies of monomer volume fraction profiles of pH responsive polyelectrolyte brushes were investigated using field theories and neutron reflectivity experiments. In particular, planar polyelectrolyte brushes in good solvent were studied and direct comparisons between predictions of the theories and experimental measurements are presented. The comparisons between the theories and the experimental data reveal that solvent entropy and ion-pairs resulting from adsorption of counterions from the added salt play key roles in affecting the monomer distribution and must be taken into account in modeling polyelectrolyte brushes. Furthermore, the utility of this physics-based approach based on these theories for the predictionmore » and interpretation of neutron reflectivity profiles in the context of pH responsive planar polyelectrolyte brushes such as polybasic poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) and polyacidic poly(methacrylic acid) (PMAA) brushes is demonstrated. The approach provides a quantitative way of estimating molecular weights of the polymers polymerized using surface-initiated atom transfer radical polymerization.« less

  19. Ferroelectric-like response from the surface of SrTiO₃ crystals at high temperatures

    SciTech Connect (OSTI)

    Jyotsna, Shubhra; Arora, Ashima; Sekhon, Jagmeet S.; Sheet, Goutam

    2014-09-14

    Since SrTiO₃ has a high dielectric constant, it is used as a substrate for a large number of complex physical systems for electrical characterization. Since SrTiO₃ crystals are known to be non-ferroelectric/non-piezoelectric at room temperature and above, SrTiO₃ has been believed to be a good choice as a substrate/base material for PFM (Piezoresponse Force Microscopy) on novel systems at room temperature. In this paper, from PFM-like measurement using an atomic force microscope on bare crystals of (110) SrTiO₃ we show that ferroelectric and piezoelectric-like response may originate from bare SrTiO₃ at remarkably high temperatures up to 420 K. Electrical domain writing and erasing are also possible using a scanning probe tip on the surface of SrTiO₃ crystals. This observation indicates that the role of the electrical response of SrTiO₃ needs to be revisited in the systems where signature of ferroelectricity/piezoelectricity has been previously observed with SrTiO₃ as a substrate/base material.

  20. Preparation and properties of ce-doped TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Yan, Ningning; Zhu, Zhongqi; Zhang, Jin; Zhao, Zongyan; Liu, Qingju

    2012-08-15

    Highlights: ? The cerium ion doped TiO{sub 2} (Ce-TiO{sub 2}) powders were prepared and characterized. ? The spectrum absorption region of Ce-TiO{sub 2} is red-shifted to visible light. ? The recombination of photo-generated electron-hole pairs of Ce-TiO{sub 2} is inhibited. ? The photocatalytic activity was effected by Ce ion content and greatly improved. -- Abstract: TiO{sub 2} nanoparticles doped with different content of Ce ion were prepared by solgel method. The samples were characterized by XRD, XPS, TEM, UVVis, and PL, the photocatalytic activity was evaluated by photocatalytic degradation of methylene blue (MB) under the irradiation of fluorescent lamp. The results indicate that Ce ion is incorporated into the lattice of TiO{sub 2}, which can restrain the increase of grain size, broaden the absorption region to visible light, and inhibit the recombination of the photo-generated electron and hole pairs. Moreover, the photocatalytic activity of Ce-TiO{sub 2} in MB degradation is evidently enhanced. The MB degradation rate of the sample with Ce:Ti = 0.33% (molar ratio) in 8 h is 90.03%, which is much higher than that of P25 (68.19%).

  1. An Experimental and Theoretical Multi-Mbar Study of Ti-6Al-4V

    SciTech Connect (OSTI)

    Tegner, B E; Macleod, S G; CYNN, H; Proctor, J; Evans, W J; McMahon, M I; Ackland, G J

    2011-04-13

    We report results from an experimental and theoretical study of the room temperature (RT) compression of the ternary alloy Ti-6Al-4V. In this work, we have extended knowledge of the equation of state (EOS) from 40 GPa to 221 GPa, and observed a different sequence of phase transitions to that reported previously for pure Ti.

  2. Stoichiometric growth of SrTiO3 films by sequential pulsed laser deposition from SrO and TiO2 targets

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

    Herklotz, A; Dorr, Kathrin; Biegalski, Michael D

    2015-01-01

    We report the growth of stoichiometric SrTiO3 films by sequential pulsed laser deposition from SrO and TiO2 targets. In-situ reflection high-energy electron diffraction is used to control the growth and achieve films with excellent structural quality. The growth shows similarities to the case of molecular beam epitaxy of SrTiO3 from Sr and Ti sources. In order to further demonstrate the capability of the approach, we grow artificial Srn+1TinO3n+1 Ruddlesden-Popper phases with n = 2 and 3. Our result has potential to be extendable to other perovskite-type oxides, enabling one to grow epitaxial films with improved structural quality and electronic functionality.

  3. Enhanced hardness in epitaxial TiAlScN alloy thin films and rocksalt TiN/(Al,Sc)N superlattices

    SciTech Connect (OSTI)

    Saha, Bivas; Lawrence, Samantha K.; Bahr, David F.; Schroeder, Jeremy L.; Birch, Jens; Sands, Timothy D.

    2014-10-13

    High hardness TiAlN alloys for wear-resistant coatings exhibit limited lifetimes at elevated temperatures due to a cubic-AlN to hexagonal-AlN phase transformation that leads to decreasing hardness. We enhance the hardness (up to 46 GPa) and maximum operating temperature (up to 1050 °C) of TiAlN-based coatings by alloying with scandium nitride to form both an epitaxial TiAlScN alloy film and epitaxial rocksalt TiN/(Al,Sc)N superlattices on MgO substrates. The superlattice hardness increases with decreasing period thickness, which is understood by the Orowan bowing mechanism of the confined layer slip model. These results make them worthy of additional research for industrial coating applications.

  4. Structural properties of Ge on SrTiO{sub 3} (001) surface and Ge/SrTiO{sub 3} interface

    SciTech Connect (OSTI)

    Pu, Long; Wang, Jianli Tang, Gang; Zhang, Junting

    2015-03-14

    Germanium−perovskite oxide heterostructures have a strong potential for next-generation low-voltage and low-leakage metal-oxide semiconductor field-effect transistors. We investigated the atomic structure and electronic properties of Ge on perfect and defective (001) SrTiO{sub 3} by first-principle calculations. The specific adsorption sites at the initial growth stage and the atomic structure of Ge on the SrTiO{sub 3} (001) substrate have been systematically investigated. The surface grand potential was calculated and compared as a function of the relative chemical potential. The complete surface phase diagram was presented. The energetically favorable interfaces were pointed out among the atomic arrangements of the Ge/SrTiO{sub 3} (001) interfaces. The atomic structure and electronic properties of the intrinsic point defects were calculated and analyzed for the Ge/SrTiO{sub 3} (001) interfaces.

  5. TiO{sub 2} nanorods branched on fast-synthesized large clearance TiO{sub 2} nanotube arrays for dye-sensitized solar cells

    SciTech Connect (OSTI)

    Hu Anzheng; Li Haina; Jia Zhiyong; Xia Zhengcai

    2011-11-15

    A large clearance TiO{sub 2} nanotube arrays (LTAs) has been synthesized by a not more than 12 h anodization duration and based on this a branched TiO{sub 2} nanotube arrays (BLTs) has been achieved through TiO{sub 2} nanorods branch-like grown on the LTAs. Some key factors and probable mechanisms of the fabrication processes on two novel nanoarchitectures are discussed. Exhilaratingly, it is found that the obtained LTAs has demonstrated large pore diameter and void spaces (pore diameter {approx}350 nm; void spaces {approx}160 nm; and tube length {approx}3.5 {mu}m), and the synthesized hierarchical BLTs, compared with conventional TiO{sub 2} nanotube arrays, has shown a much stronger dye absorption performance and an approximately double of the solar cell efficiency (in our case from 1.62% to 3.18% under simulated AM 1.5 conditions). - Graphical Abstract: The schematic diagram of synthesis process for LTAs and BLTs is on the above and the corresponding FESEM images of obtained photoanodes samples are shown below. Highlights: > Large clearance TiO{sub 2} nanotube arrays (LTAs) was synthesized by a fast anodization process of 12 h. > Anodization time of 12 h is just 10% of about 120 h reported in the previous references. > Branch-like TiO{sub 2} nanotube arrays (BLTs) was achieved by growing TiO{sub 2} nanorods on the LTAs. > Obtained BLTs and LTAs show impressive morphology and noticeable improvement of surface area. > BLTs shows about more than 1 times higher solar cell efficiency than that of TiO{sub 2} nanotube arrays.

  6. TiN/VN composites with core/shell structure for supercapacitors

    SciTech Connect (OSTI)

    Dong, Shanmu; Chen, Xiao; Gu, Lin; Zhou, Xinhong; Wang, Haibo; Liu, Zhihong; Han, Pengxian; Yao, Jianhua; Wang, Li; Cui, Guanglei; Chen, Liquan; Institute of Physics, Chinese Academy of Sciences, Beijing 100080

    2011-06-15

    Research highlights: {yields} Vanadium and titanium nitride nanocomposite with core-shell structure was prepared. {yields} TiN/VN composites with different V:Ti molar ratios were obtained. {yields} TiN/VN composites can provide promising electronic conductivity and favorable capacity storage. -- Abstract: TiN/VN core-shell composites are prepared by a two-step strategy involving coating of commercial TiN nanoparticles with V{sub 2}O{sub 5}.nH{sub 2}O sols followed by ammonia reduction. The highest specific capacitance of 170 F g{sup -1} is obtained when scanned at 2 mV s{sup -1} and a promising rate capacity performance is maintained at higher voltage sweep rates. These results indicate that these composites with good electronic conductivity can deliver a favorable capacity performance.

  7. Atomic structure of the sweet-tasting protein thaumatin I at pH 8.0 reveals the large disulfide-rich region in domain II to be sensitive to a pH change

    SciTech Connect (OSTI)

    Masuda, Tetsuya; Ohta, Keisuke; Mikami, Bunzo; Kitabatake, Naofumi; Tani, Fumito

    2012-03-02

    Highlights: Black-Right-Pointing-Pointer Structure of a recombinant thaumatin at pH 8.0 determined at a resolution of 1.0 A. Black-Right-Pointing-Pointer Substantial fluctuations of a loop in domain II was found in the structure at pH 8.0. Black-Right-Pointing-Pointer B-factors for Lys137, Lys163, and Lys187 were significantly affected by pH change. Black-Right-Pointing-Pointer An increase in mobility might play an important role in the heat-induced aggregation. -- Abstract: Thaumatin, an intensely sweet-tasting plant protein, elicits a sweet taste at 50 nM. Although the sweetness remains when thaumatin is heated at 80 Degree-Sign C for 4 h under acid conditions, it rapidly declines when heating at a pH above 6.5. To clarify the structural difference at high pH, the atomic structure of a recombinant thaumatin I at pH 8.0 was determined at a resolution of 1.0 A. Comparison to the crystal structure of thaumatin at pH 7.3 and 7.0 revealed the root-mean square deviation value of a C{alpha} atom to be substantially greater in the large disulfide-rich region of domain II, especially residues 154-164, suggesting that a loop region in domain II to be affected by solvent conditions. Furthermore, B-factors of Lys137, Lys163, and Lys187 were significantly affected by pH change, suggesting that a striking increase in the mobility of these lysine residues, which could facilitate a reaction with a free sulfhydryl residue produced via the {beta}-elimination of disulfide bonds by heating at a pH above 7.0. The increase in mobility of lysine residues as well as a loop region in domain II might play an important role in the heat-induced aggregation of thaumatin above pH 7.0.

  8. Lack of correlation between extended pH monitoring and scintigraphy in the evaluation of infants with gastroesophageal reflux

    SciTech Connect (OSTI)

    Tolia, V.; Calhoun, J.A.; Kuhns, L.R.; Kauffman, R.E. )

    1990-05-01

    Sixty-nine infants younger than 1 year of age, with symptoms of persistent vomiting, recurrent choking, apnea, persistent cough, or stridor, were evaluated for gastroesophageal reflux. All infants underwent extended intraesophageal pH monitoring for 16 to 24 hours as well as gastroesophageal scintigraphy with technetium 99m sulfur colloid to study the correlation between the two tests. Forty-eight infants exhibited reflux with extended pH monitoring whereas 46 infants showed reflux with scintigraphy. However, the diagnosis of reflux in individual patients by extended pH monitoring corresponded poorly with the diagnosis of reflux in the same patients by scintigraphy. Similarly, no correlation was observed between extended pH monitoring and scintigraphy results, whether expressed as percent gastric emptying or as gastroesophageal reflux ratio. We conclude that extended pH monitoring and scintigraphy measure different pathophysiologic phenomena and detect reflux under different conditions. The ability of these tests to detect reflux may be complementary and they may be of greatest value when used together to enhance the sensitivity and specificity of the diagnostic evaluation. Extended pH monitoring and scintigraphy should not be used interchangeably to monitor gastroesophageal reflux.

  9. Structural Study And Optical Properties Of TiO{sub 2} Thin Films Elaborated By Thermal Oxidation Of RF Magnetron Sputtered Ti Films

    SciTech Connect (OSTI)

    Guitoume, D.; Achour, S.; Guittoum, A.; Abaidia, S. E. H.

    2008-09-23

    We report on the effect of thickness on the structural and optical properties of TiO{sub 2} thin films obtained by direct exposure of Ti metal film to thermal oxidation. Ti thin films with thicknesses ranging from 87 nm to 484 nm were deposited onto glass substrate by RF magnetron sputtering. Thereafter, the as-deposited Ti films were annealed in air at temperature equal to 520 deg. C. The structural evolution and optical properties of obtained TiO{sub 2} films were studied by means of Rutherford backscattering spectrometry (RBS), grazing incidence X-ray diffraction (GIXRD), scanning electron microscopy (SEM) and UV-Visible spectroscopy. The films thicknesses were extracted from RBS spectra. From X-ray diffraction spectra, we can see that all the films present three TiO{sub 2} phases (anatase, rutile and Brookite). The anatase and rutile phases exhibit a strong preferred orientation along (004) and (210) planes respectively. The grain sizes, D (nm), did not change much with increasing thickness. The average value of (nm) was equal to 29 nm for anatase and 26 nm for rutile. The micrographs taken from SEM experiments indicate that the films present a dense micro structure with very small grains. Transmittance spectra show that all the films present a good transparency in the visible region. The dependence of transmittance, optical band gap and refractive index on the thickness of the films was also studied.

  10. Active wear and failure mechanisms of TiN-coated high speed steel and TiN-coated cemented carbide tools when machining powder metallurgically made stainless steels

    SciTech Connect (OSTI)

    Jiang, L.; Haenninen, H.; Paro, J.; Kauppinen, V.

    1996-09-01

    In this study, active wear and failure mechanisms of both TiN-coated high speed steel and TiN-coated cemented carbide tools when machining stainless steels made by powder metallurgy in low and high cutting speed ranges, respectively, have been investigated. Abrasive wear mechanisms, fatigue-induced failure, and adhesive and diffusion wear mechanisms mainly affected the tool life of TiN-coated high speed steel tools at cutting speeds below 35 m/min, between 35 and 45 m/min, and over 45 m/min, respectively. Additionally, fatigue-induced failure was active at cutting speeds over 45 m/min in the low cutting speed range when machining powder metallurgically made duplex stainless steel 2205 and austenitic stainless steel 316L. In the high cutting speed range, from 100 to 250 m/min, fatigue-induced failure together with diffusion wear mechanism, affected the tool life of TiN-coated cemented carbide tools when machining both 316L and 2205 stainless steels. It was noticed that the tool life of TiN-coated high speed steel tools used in the low cutting speed range when machining 2205 steel was longer than that when machining 316L steel, whereas the tool life of TiN-coated cemented carbide tools used in the high cutting speed range when machining 316L steel was longer than that when machining 2205 steel.

  11. Revealing the atomic and electronic structure of a SrTiO{sub 3}/LaNiO{sub 3}/SrTiO{sub 3} heterostructure interface

    SciTech Connect (OSTI)

    Zhang, Zaoli; Soltan, S.; Schmid, H.; Habermeier, H.-U.; Keimer, B.; Kaiser, U.

    2014-03-14

    The atomic structures of SrTiO{sub 3} (STO)/LaNiO{sub 3} (LNO)/STO heterostructure interfaces were investigated by spherical aberration-corrected (C{sub S}) (scanning) transmission electron microscopy. Atomic displacement and lattice distortion measurements and electron energy loss spectroscopy (EELS) were used to quantitatively analyze the distortion of the interfacial octahedra and the bond length at the interfaces. Combined with high-resolution transmission electron microscopy (HRTEM) and scanning transmission electron microscopy analyses, two distinct interfacial atomic terminating layers are unambiguously determined. Ensuing quantitative HRTEM measurements revealed that the Ni-O bond length in the interfacial octahedral is elongated at the bottom interface (NiO{sub 2}-SrO). Atomic displacement shows structural relaxation effects when crossing the interfaces and lattice distortions across the interface is more pronounced in LNO than in STO. The Ti/O atomic ratio, La and Ti relative atomic ratio as derived by EELS quantification indicate non-stoichiometric composition at the interfaces. Distinct fine structures of Ti-L{sub 2,3} edge and O-K edge at the bottom and top interfaces are observed. By comparison, we are able to estimate Ti valency at both interfaces. Combining the structural distortions and Ti valency, the polar discontinuity and charge transfer at the interfaces are discussed.

  12. RESULTS OF ANALYTICAL SAMPLE CROSSCHECKS FOR NEXT GENERATION SOLVENT EXTRACTION SAMPLES ISOPAR L CONCENTRATION AND PH

    SciTech Connect (OSTI)

    Peters, T.; Fink, S.

    2011-09-29

    As part of the implementation process for the Next Generation Cesium Extraction Solvent (NGCS), SRNL and F/H Lab performed a series of analytical cross-checks to ensure that the components in the NGCS solvent system do not constitute an undue analytical challenge. For measurement of entrained Isopar{reg_sign} L in aqueous solutions, both labs performed similarly with results more reliable at higher concentrations (near 50 mg/L). Low bias occurred in both labs, as seen previously for comparable blind studies for the baseline solvent system. SRNL recommends consideration to use of Teflon{trademark} caps on all sample containers used for this purpose. For pH measurements, the labs showed reasonable agreement but considerable positive bias for dilute boric acid solutions. SRNL recommends consideration of using an alternate analytical method for qualification of boric acid concentrations.

  13. Fabrication and characterization of photovoltaic devices based on perovskite compounds with TiO{sub 2} nanoparticles

    SciTech Connect (OSTI)

    Kanayama, Masato Oku, Takeo Suzuki, Atsushi; Yamada, Masahiro; Sakamoto, Hiroki; Fukunishi, Sakiko; Kohno, Kazufumi

    2015-02-27

    Perovskite-type photovoltaic devices were fabricated by a spin-coating method using a mixture solution. The compact and meso-porous TiO{sub 2} of the solar cells were fabricated from TiO{sub 2} nanoparticles and sol, and the photovoltaic properties and microstructures were characterized. The conversion efficiencies were improved by the combination of TiO{sub 2} nanoparticles and sol. Current density was also improved by increasing numbers of spin-coatings of meso-porous TiO{sub 2}. Thick meso-porous TiO2 layers would assist the construction of perovskite layers and block of the leak current.

  14. Brazing ZrO{sub 2} ceramic to Ti6Al4V alloy using NiCrSiB amorphous filler foil: Interfacial microstructure and joint properties

    SciTech Connect (OSTI)

    Cao, J., E-mail: cao_jian@hit.edu.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Song, X.G., E-mail: song_xiaoguohit@yahoo.com.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Li, C., E-mail: li_chun1989@yahoo.cn [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Zhao, L.Y., E-mail: Zhao_ly@163.com [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Feng, J.C., E-mail: feng_jicai@163.com [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2013-07-15

    Reliable brazing of ZrO{sub 2} ceramic and Ti6Al4V alloy was achieved using NiCrSiB amorphous filler foil. The interfacial microstructure of ZrO{sub 2}/Ti6Al4V joints was characterized by scanning electron microscope, energy dispersive spectrometer and micro-focused X-ray diffractometer. The effects of brazing temperature on the interfacial microstructure and joining properties of brazed joints were investigated in detail. Active Ti of Ti6Al4V alloy dissolved into molten filler metal and reacted with ZrO{sub 2} ceramic to form a continuous TiO reaction layer, which played an important role in brazing. Various reaction phases including Ti{sub 2}Ni, Ti{sub 5}Si{sub 3} and ?-Ti were formed in brazed joints. With an increasing of brazing temperature, the TiO layer thickened gradually while the Ti{sub 2}Ni amount reduced. Shear test indicated that brazed joints tend to fracture at the interface between ZrO{sub 2} ceramic and brazing seam or Ti{sub 2}Ni intermetallic layer. The maximum average shear strength reached 284.6 MPa when brazed at 1025 C for 10 min. - Graphical Abstract: Interfacial microstructure of ZrO{sub 2}/TC4 joint brazed using NiCrSiB amorphous filler foil was: ZrO{sub 2}/TiO/Ti{sub 2}Ni + ?-Ti + Ti{sub 5}Si{sub 3}/?-Ti/Widmansttten structure/TC4. - Highlights: Brazing of ZrO{sub 2} ceramic and Ti-6Al-4V alloy was achieved. Interfacial microstructure was TiO/Ti{sub 2}Ni + ? + Ti{sub 5}Si{sub 3}/?/Widmansttten structure. The formation of TiO produced the darkening effect of ZrO{sub 2} ceramic. The highest joining strength of 284.6MPa was obtained.

  15. Graphene oxide modified TiO2 nanotube arrays?enhanced visible light photoelectrochemical properties

    SciTech Connect (OSTI)

    Song, Peng; Zhang, Xiao-Yan; Sun, Mingxun; Cui, Xiao-Li; Lin, Yuehe

    2012-03-01

    Novel nanocomposite films based on graphene oxide (GO) and TiO{sub 2} nanotube arrays were synthesized by assembling GO on the surface of self-organized TiO{sub 2} nanotube arrays through a simple assembling method. The composite films were characterized with field emission scanning electron microscopy, X-ray diffraction, Raman spectroscopy, and UV-vis diffuse reflectance spectroscopy. Photoelectrochemical properties of the composite nanotube arrays were investigated under visible light illumination. Remarkably enhanced visible light photoelectrochemical response was observed for the GO decorated TiO{sub 2} nanotube composite electrode compared with pristine TiO{sub 2} nanotube arrays. Sensitizing effect of GO on the photoelectrochemical response of TiO{sub 2} nanotube arrays was demonstrated and about 15 times enhanced maximum photoconversion efficiency was obtained with the presence of GO. Enhanced photocatalytic activity of TiO{sub 2} nanotube arrays towards degradation of methyl blue was also demonstrated after modification of GO. The results presented here demonstrate GO to be efficient for the improvement of utilization of visible light for TiO{sub 2} nanotube arrays.

  16. Location Of Hole And Electron Traps On Nanocrystalline Anatase TiO2

    SciTech Connect (OSTI)

    Mercado, Candy C.; Knorr, Fritz J.; McHale, Jeanne L.; Usmani, Shirin M.; Ichimura, Andrew S.; Saraf, Laxmikant V.

    2012-05-17

    The defect photoluminescence from TiO2 nanoparticles in the anatase phase is reported for nanosheets which expose predominantly (001) surfaces, and compared to that from conventional anatase nanoparticles which expose mostly (101) surfaces. Also reported is the weak defect photoluminescence of TiO2 nanotubes, which we find using electron back-scattered diffraction to consist of walls which expose (110) and (100) facets. The nanotubes exhibit photoluminescence that is blue-shifted and much weaker than that from conventional TiO2 nanoparticles. Despite the preponderance of (001) surfaces in the nanosheet samples, they exhibit photoluminescence similar to that of conventional nanoparticles. We assign the broad visible photoluminescence of anatase nanoparticles to two overlapping distributions: hole trap emission associated with oxygen vacancies on (101) exposed surfaces, which peaks in the green, and a broader emission extending into the red which results from electron traps on under-coordinated titanium atoms, which are prevalent on (001) facets. The results of this study suggest how morphology of TiO2 nanoparticles could be optimized to control the distribution and activity of surface traps. Our results also shed light on the mechanism by which the TiCl4 surface treatment heals traps on anatase and mixed-phase TiO2 films, and reveals distinct differences in the trap-state distributions of TiO2 nanoparticles and nanotubes. The molecular basis for electron and hole traps and their spatial separation on different facets is discussed.

  17. Direct Evidence of Lithium-Induced Atomic Ordering in Amorphous TiO2 Nanotubes

    SciTech Connect (OSTI)

    Gao, Qi; Gu, Meng; Nie, Anmin; Mashayek, Farzad; Wang, Chong M.; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2014-01-27

    In this paper, we report the first direct chemical and imaging evidence of lithium-induced atomic ordering in amorphous TiO2 nanomaterials and propose new reaction mechanisms that contradict the many works in the published literature on the lithiation behavior of these materials. The lithiation process was conducted in situ inside an atomic resolution transmission electron microscope. Our results indicate that the lithiation started with the valence reduction of Ti4+ to Ti3+ leading to a LixTiO2 intercalation compound. The continued intercalation of Li ions in TiO2 nanotubes triggered an amorphous to crystalline phase transformation. The crystals were formed as nano-islands and identified to be Li2Ti2O4 with cubic structure (a = 8.375 ). The tendency for the formation of these crystals was verified with density functional theory (DFT) simulations. The size of the crystalline islands provides a characteristic length scale (?5 nm) at which the atomic bonding configuration has been changed within a short time period. This phase transformation is associated with local inhomogeneities in Li distribution. On the basis of these observations, a new reaction mechanism is proposed to explain the first cycle lithiation behavior in amorphous TiO2 nanotubes.

  18. Nanoscale compositional analysis of NiTi shape memory alloy films deposited by DC magnetron sputtering

    SciTech Connect (OSTI)

    Sharma, S. K.; Mohan, S.; Bysakh, S.; Kumar, A.; Kamat, S. V.

    2013-11-15

    The formation of surface oxide layer as well as compositional changes along the thickness for NiTi shape memory alloy thin films deposited by direct current magnetron sputtering at substrate temperature of 300 °C in the as-deposited condition as well as in the postannealed (at 600 °C) condition have been thoroughly studied by using secondary ion mass spectroscopy, x-ray photoelectron spectroscopy, and scanning transmission electron microscopy-energy dispersive x-ray spectroscopy techniques. Formation of titanium oxide (predominantly titanium dioxide) layer was observed in both as-deposited and postannealed NiTi films, although the oxide layer was much thinner (8 nm) in as-deposited condition. The depletion of Ti and enrichment of Ni below the oxide layer in postannealed films also resulted in the formation of a graded microstructure consisting of titanium oxide, Ni{sub 3}Ti, and B2 NiTi. A uniform composition of B2 NiTi was obtained in the postannealed film only below a depth of 200–250 nm from the surface. Postannealed film also exhibited formation of a ternary silicide (Ni{sub x}Ti{sub y}Si) at the film–substrate interface, whereas no silicide was seen in the as-deposited film. The formation of silicide also caused a depletion of Ni in the film in a region ∼250–300 nm just above the film substrate interface.

  19. Photo-oxidative degradation of TiO{sub 2}/polypropylene films

    SciTech Connect (OSTI)

    Garca-Montelongo, X.L.; Martnez-de la Cruz, A.; Vzquez-Rodrguez, S.; Torres-Martnez, Leticia M.

    2014-03-01

    Graphical abstract: - Highlights: Photo-oxidative degradation of polypropylene is accelerated by TiO{sub 2} incorporation. Weight loss, FTIR, SEM and GPC shown high degree of degradation of polypropylene. A mechanism of the photo-degradation of polypropylene by TiO{sub 2} is proposed. - Abstract: Photo-oxidative degradation of polypropylene films with TiO{sub 2} nanoparticles incorporated was studied in a chamber of weathering with Xenon lamps as irradiation source. TiO{sub 2} powder with crystalline structure of anatase was synthesized by thermal treatments at 400 and 500 C starting from a precursor material obtained by solgel method. Composites of TiO{sub 2}/polypropylene were prepared with 0.1, 0.5 and 1.0 wt% of TiO{sub 2}. The mixture of components was performed using a twin screw extruder, the resulting material was pelletized by mechanical fragmenting and then hot-pressed in order to form polypropylene films with TiO{sub 2} dispersed homogeneously. Photo-oxidative degradation process was followed by visual inspection, weight loss of films, scanning electron microscopy (SEM), infrared spectroscopy with Fourier transformed (FTIR), and gel permeation chromatography (GPC)

  20. Composite WO3/TiO2 nanostructures for high electrochromic activity

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

    Reyes-Gil, Karla R.; Stephens, Zachary D.; Stavila, Vitalie; Robinson, David B.

    2015-01-06

    A composite material consisting of TiO2 nanotubes (NT) with WO3 electrodeposited on its surface has been fabricated, detached from its Ti substrate, and attached to a fluorine-doped tin oxide (FTO) film on glass for application to electrochromic (EC) reactions. Several adhesion layers were tested, finding that a paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length and WO3 concentration on the EC performancemore » were studied. As a result, the composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast, and longer memory time compared with the pure WO3 and TiO2 materials« less

  1. Effect of the top electrode materials on the resistive switching characteristics of TiO{sub 2} thin film

    SciTech Connect (OSTI)

    Oh, Sang Chul; Jung, Ho Yong; Lee, Heon

    2011-06-15

    Various metals, such as Pt, stainless steel (SUS), Al, Ni, and Ti, were used as a top electrode (TE) to evaluate the dependency of the resistive switching characteristics on the TE of the metal/TiO{sub 2}/Pt structure. The variation of the chemical composition of TiO{sub 2} in the metal/TiO{sub 2}/Pt structure before and after switching was examined to identify the factors affecting the resistive switching characteristics of the samples with various TE materials. In the case of TE/TiO{sub 2}/Pt structures showing unstable resistive switching behavior, e.g., those with the Al, Ni, and Ti TEs, secondary ion mass spectrometry revealed an increase in the oxygen concentration at the interface area between the TE metal and TiO{sub 2}. This suggests that the oxidation reaction at the interface between the TE metal and TiO{sub 2} might cause the TE/TiO{sub 2}/Pt structure to exhibit unstable resistive switching characteristics. According to these results, the oxidation reaction at the interface between the metal TE and TiO{sub 2} thin film is a primary factor affecting the resistive switching characteristics of TiO{sub 2}-based Resistive Random Access Memory devices.

  2. Tailoring the crystal structure of TiO{sub 2} thin films from the anatase to rutile phase

    SciTech Connect (OSTI)

    Kotake, Haruka; Jia, Junjun; Nakamura, Shin-ichi; Shigesato, Yuzo; Okajima, Toshihiro

    2015-07-15

    TiO{sub 2} films with various Sn concentrations were deposited on quartz substrates using rf reactive magnetron sputtering. The crystal structure was investigated by using x-ray diffraction, Raman spectroscopy, and transmission electron microscopy, and the chemical states of Ti and Sn were analyzed by x-ray absorption near edge structure (XANES) spectroscopy. Without Sn doping, TiO{sub 2} films change the crystal structure from rutile to anatase as the total gas pressure increases in the sputtering deposition. On the other hand, Sn doping induces the transformation of TiO{sub 2} crystalline structure from anatase to rutile phase, where the XANES spectra implied that Sn substitutes into Ti site of rutile TiO{sub 2}. Atomic force microscope analyses revealed that the Sn-doped TiO{sub 2} films exhibited a flat surface with the roughness of approximately 2 nm.

  3. Efficient photocatalytic degradation of gaseous formaldehyde by the TiO{sub 2}/tourmaline composites

    SciTech Connect (OSTI)

    Zhang, Gaoke Qin, Xi

    2013-10-15

    Graphical abstract: - Highlights: The TiO{sub 2}/tourmaline composites were prepared by a solgel method. The composites exhibited excellent photocatalytic activity and good stability. The physicochemical property of tourmaline may be favor for the degradation of HCHO. The mixed-phase of anatase and rutile TiO{sub 2} may be favor for the degradation of HCHO. - Abstract: The TiO{sub 2} supported tourmaline composites were prepared by a solgel method and used as a photocatalyst for the degradation of formaldehyde (HCHO). The composites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), N{sub 2} adsorptiondesorption, Fourier transform infrared (FT-IR) spectroscopy and UVvis diffuse reflectance spectroscopy (UVvis DRS). The results indicate that the mixed-phase of anatase and rutile exists in the TiO{sub 2}/tourmaline composites. The specific surface area of the TiO{sub 2}/tourmaline composites is much higher than that of the pure TiO{sub 2}. The TiO{sub 2}/tourmaline composites exhibited excellent photocatalytic activity for the degradation of HCHO, which was 6 times higher than that of the pure TiO{sub 2}. Moreover, the excellent photocatalytic activity of the composites was fully maintained after five photocatalytic cycles, which may be attributed to the physicochemical property of tourmaline and the mixed-phase of anatase and rutile in the TiO{sub 2}/tourmaline composites.

  4. Electrochromism in sol-gel deposited TiO(sub 2) films

    SciTech Connect (OSTI)

    Bell, J.M.; Barczynska, J.; Evans, L.A.; MacDonald, K.A.; Wang, J.; Green, D.C.; Smith, G.B.

    1994-12-31

    Electrochromism in sol-gel deposited TiO{sub 2} films and films containing TiO{sub 2} and WO{sub 3} has been observed. The films are deposited by dip-coating from a precursor containing titanium isopropoxide in ethanol or titanium propoxide in ethanol, and after deposition the films are heat treated to between 250 C and 300 C. The films do not show any signs of crystallinity. However substantial coloration is observed using Li{sup +} ions in a non-aqueous electrolyte, both in pure TiO{sub 2} films and in mixed metal oxide films (WO{sub 3}:TiO{sub 2}), although the voltage required to produce coloration is different in the two cases. Results will be presented detailing the optical switching and charge transport properties of the films during cyclic voltammetry. These results will be used to compare the performance of the TiO{sub 2} films with other electrochromics. The TiO{sub 2} and mixed metal films all color cathodically, and the colored state is a neutral greyish color for TiO{sub 2}, while the bleached state is transparent and colorless. Results on coloration efficiency and the stability under repeated electrochemical cycling will also be presented. The neutral color of the TiO{sub 2} films and mixed-metal films means that electrochromic windows based on TiO{sub 2} may have significant advantages over WO{sub 3}-based windows. A detailed analysis of the optical properties of the colored state of the films will be presented. The dynamics of coloration for these films is also under investigation, and preliminary results will be presented.

  5. Characterization of oxygen and titanium diffusion at the anatase TiO2(001) surface

    SciTech Connect (OSTI)

    Herman, Gregory S.; Zehr, Robert T.; Henderson, Michael A.

    2013-06-01

    The diffusion of intrinsic defects in a single crystal anatase TiO2(001) film was explored by isotopic labeling and static secondary ion mass spectrometry. Using both 46Ti and 18O as isotopic labels, we show that the anatase surface responds to redox imbalances by diffusion of both Ti and O into the bulk under vacuum reduction and (at least) Ti from the bulk to the surface during oxidation. The diffusion of Ti between the bulk and surface in anatase TiO2(001) closely resembles what was observed in the literature for the rutile TiO2(110) surface, however the latter is not known to have oxygen diffusion between the bulk and surface under typical ultrahigh vacuum conditions. We speculate that the open lattice of the anatase bulk structure may facilitate independent diffusion of both point defects (Ti interstitials and O vacancies) or concerted diffusion of "TiO" subunits. The authors gratefully acknowledge S.A. Chambers of Pacific Northwest National Laboratory (PNNL) for providing the anatase samples. This research was supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, the Office of Naval Research Contract Number 200CAR262, and the Oregon Nanoscience and Microtechnologies Institute. PNNL is operated for the U.S. DOE by Battelle under Contract Number DE05-AC76RL0 1830. The research was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility funded by the U.S. DOE Office of Biological and Environmental Research.

  6. Atomic structure of nanometer-sized amorphous TiO2

    SciTech Connect (OSTI)

    Zhang, H.; Chen, B.; Banfield, J.F.; Waychunas, G.A.

    2008-10-15

    Amorphous titania (TiO{sub 2}) is an important precursor for synthesis of single-phase nanocrystalline anatase. We synthesized x-ray amorphous titania by hydrolysis of titanium ethoxide at the ice point. Transmission electron microscopy examination and nitrogen gas adsorption indicated the particle size of the synthesized titania is {approx} 2 nm. Synchrotron wide-angle x-ray scattering (WAXS) was used to probe the atomic correlations in this amorphous sample. Atomic pair-distribution function (PDF) derived from Fourier transform of the WAXS data was used for reverse Monte Carlo (RMC) simulations of the atomic structure of the amorphous TiO{sub 2} nanoparticles. Molecular dynamics simulations were used to generate input structures for the RMC. X-ray absorption spectroscopy (XAS) simulations were used to screen candidate structures obtained from the RMC by comparing with experimental XAS data. The structure model that best describes both the WAXS and XAS data shows that an amorphous TiO{sub 2} particle consists of a highly distorted shell and a small strained anatase-like crystalline core. The average coordination number of Ti is 5.3 and most Ti-O bonds are populated around 1.940 {angstrom}. Relative to bulk TiO{sub 2}, the reduction of the coordination number is primarily due to the truncation of the Ti-O octahedra at the amorphous nanoparticle surface and the shortening of the Ti-O bond length to the bond contraction in the distorted shell. The preexistence of the anatase-like core may be critical to the formation of single-phase nanocrystalline anatase in crystallization of amorphous TiO{sub 2} upon heating.

  7. Controlling the pH of acid cheese whey in a two-stage anaerobic digester with sodium hydroxide

    SciTech Connect (OSTI)

    Ghaly, A.E.; Ramkumar, D.R.

    1999-07-01

    Anaerobic digestion of cheese whey offers a two-fold benefit: pollution potential reduction and biogas production. The biogas, as an energy source, could be used to reduce the consumption of traditional fuels in the cheese plant. However, as a result of little or no buffering capacity of whey, the pH of the anaerobic digester drops drastically and the process is inhibited. In this study, the effect of controlling the pH of the second chamber of a two-stage, 150 L anaerobic digester operating on cheese whey on the quality and quantity of biogas and the pollution potential reduction, was investigated using sodium hydroxide. The digester was operated at a temperature of 35 C and a hydraulic retention time of 15 days for three runs (no pH control, pH control with no reseeding, and ph control with reseeding) each lasting 50 days. The results indicated that operating the digester without pH control resulted in a low pH (3.3) which inhibited the methanogenic bacteria. The inhibition was irreversible and the digester did not recover (no methane production) when the pH was restored to 7.0 without reseeding, as the observed increased gas production was a false indication of recovery because the gas was mainly carbon dioxide. The addition of base resulted in a total alkalinity of 12,000 mg/L as CaCO{sub 3}. When the system was reseeded and the pH controlled, the total volatile acid concentration was 15,100 mg/L (as acetic acid), with acetic (28%), propionic (21%), butyric (25%), valeric (8%), and caproic (15%) acids as the major constituents. The biogas production was 62.6 L/d (0.84 m{sup 3}/m{sup 3}/d) and the methane content was 60.7%. Reductions of 27.3, 30.4 and 23.3% in the total solids, chemical oxygen demand and total kjeldahl nitrogen were obtained, respectively. The ammonium nitrogen content increased significantly (140%).

  8. Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-Na₀̣₅Bi₀̣₅TiO₃ piezoelectric materials

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

    Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

    2015-02-26

    We synthesized grain-oriented lead-free piezoelectric materials in (K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-xNa₀̣₅Bi₀̣₅TiO₃ (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d₃₃ ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectricmore » materials.« less

  9. Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K???Bi???TiO?-BaTiO?-Na???Bi???TiO? piezoelectric materials

    SciTech Connect (OSTI)

    Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

    2015-02-26

    We synthesized grain-oriented lead-free piezoelectric materials in (K???Bi???TiO?-BaTiO?-xNa???Bi???TiO? (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d?? ~ 190pC/N) and high temperature stability (~160C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180 domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectric materials.

  10. Effect of pH on Structural Changes in Perch Hemoglobin that Can Alter Redox Stability and Heme Affinity

    SciTech Connect (OSTI)

    Richards, Mark P.; Aranda, IV, Roman; He, Cai; Phillips, Jr., George N.

    2010-01-07

    pH can be manipulated to alter the oxidative stability of fish-based foods during storage. X-ray diffraction was used to investigate the ability of reduced pH to cause structural changes in fish hemoglobins that lead to enhanced oxidative degradation. Decreasing pH from 8.0 to 6.3 and 5.7 created a large channel for solvent entry into the heme crevice of perch hemoglobin beta chains. The proton-induced opening of this channel occurred between site CD3 and the heme-6-propionate. Solvent entry into the heme crevice can enhance metHb formation and hemin loss, processes that accelerate lipid oxidation. Reduced pH also decreased the distance between Ile at E11 in one of the alpha chains and the ligand above the heme iron atom. This sterically displaces O{sub 2} and protonated O{sub 2} which increases metHb formation. These studies demonstrate that pH reduction causes structural changes in perch hemoglobin which increase oxidative degradation of the heme pigment.

  11. On the origins of hardness of Cu–TiN nanolayered composites

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

    Pathak, S.; Li, N.; Maeder, X.; Hoagland, R. G.; Baldwin, J. K.; Michler, J.; Misra, A.; Wang, J.; Mara, N. A.

    2015-07-18

    We investigated the mechanical response of physical vapor deposited Cu–TiN nanolayered composites of varying layer thicknesses from 5 nm to 200 nm. Both the Cu and TiN layers were found to consist of single phase nanometer sized grains. The grain sizes in the Cu and TiN layers, measured using transmission electron microscopy and X-ray diffraction, were found to be comparable to or smaller than their respective layer thicknesses. Indentation hardness testing revealed that the hardness of such nanolayered composites exhibits a weak dependence on the layer thickness but is more correlated to their grain size.

  12. Transparent TiO2 nanotube array photoelectrodes prepared via two-step anodization

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

    Kim, Jin Young; Zhu, Kai; Neale, Nathan R.; Frank, Arthur J.

    2014-04-04

    Two-step anodization of transparent TiO2 nanotube arrays has been demonstrated with aid of a Nb-doped TiO2 buffer layer deposited between the Ti layer and TCO substrate. Enhanced physical adhesion and electrochemical stability provided by the buffer layer has been found to be important for successful implementation of the two-step anodization process. As a result, with the proposed approach, the morphology and thickness of NT arrays could be controlled very precisely, which in turn, influenced their optical and photoelectrochemical properties.

  13. Doping of TiO 2 Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    Tmore » his paper reviews recent investigations of the influence of dopants on the optical properties of TiO 2 polymorphs.he common undoped polymorphs of TiO 2 are discussed and compared.he results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of the TiO 2 electronic structure, which is supported with first-principles calculations.« less

  14. Structural characterization and electronic structure of laser treated TiN thin film

    SciTech Connect (OSTI)

    Soni, Sheetal; Nair, K. G. M.; Phase, D. M.; Gupta, Ratnesh

    2012-06-05

    TiN thin films prepared by laser treatment using Kr-F excimer laser in the controlled atmosphere. The depth distribution and composition of nitrogen and contaminated oxygen have been determined by non-Rutherford proton backscattering using 1.7 MeV Tendetron accelerator. The electronic structure of TiN thin film have been characterized by resonant photoelectron spectroscopy using indus-I synchrotron radiation. Specifically, complex resonance profile that shows the enhancement at 45 eV which is consistent with the resonant photoemission of Ti 3d states involved in the Titanium nitride and oxide.

  15. Photo-induced wettability of TiO{sub 2} film with Au buffer layer

    SciTech Connect (OSTI)

    Purkayastha, Debarun Dhar; Sangani, L. D. Varma; Krishna, M. Ghanashyam; Madhurima, V.

    2014-04-24

    The effect of thickness of Au buffer layer (15-25 nm) between TiO{sub 2} film and substrate on the wettability of TiO{sub 2} films is reported. TiO{sub 2} films grown on Au buffer layer have a higher contact angle of 96-;100 as compared to 47.6o for the film grown without buffer layer. The transition from hydrophobicity to hydrophilicity under UV irradiation occurs within 10 min. for the buffer layered films whereas it is almost 30 min. for the film grown without buffer layer. The enhanced photo induced hydrophilicity is shown to be surface energy driven.

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

    SciTech Connect (OSTI)

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

    1996-04-01

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

  17. Doping ofTiO2Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    This paper reviews recent investigations of the influence of dopants on the optical properties ofTiO2polymorphs. The common undoped polymorphs ofTiO2are discussed and compared. The results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of theTiO2electronic structure, which is supported with first-principles calculations.

  18. Electron microscopy of Mg/TiO{sub 2} photocatalyst morphology for deep desulfurization of diesel

    SciTech Connect (OSTI)

    Yin, Yee Cia; Kait, Chong Fai Fatimah, Hayyiratul Wilfred, Cecilia

    2015-07-22

    A series of Mg/TiO{sub 2} photocatalysts were prepared and characterized using Field Emission Scanning Electron Microscopy (FESEM) and High-Resolution Transmission Electron Microscopy (HRTEM). The average particle sizes of the photocatalysts were ranging from 25.7 to 35.8 nm. Incorporation of Mg on TiO{sub 2} did not lead to any surface lattice distortion to TiO{sub 2}. HRTEM data indicated the presence of MgO and Mg(OH){sub 2} mixture at low Mg loading while at higher Mg loading, the presence of lamellar Mg-oxyhydroxide intermediates and Mg(OH){sub 2}.

  19. Structural evolution in Ti-Cu-Ni metallic glasses during heating

    SciTech Connect (OSTI)

    Gargarella, P.; Pauly, S.; Stoica, M.; Khn, U.; Vaughan, G.; Afonso, C. R. M.; Eckert, J.

    2015-01-01

    The structural evolution of Ti{sub 50}Cu{sub 43}Ni{sub 7} and Ti{sub 55}Cu{sub 35}Ni{sub 10} metallic glasses during heating was investigated by in-situ synchrotron X-ray diffraction. The width of the most intense diffraction maximum of the glassy phase decreases slightly during relaxation below the glass transition temperature. Significant structural changes only occur above the glass transition manifesting in a change in the respective peak positions. At even higher temperatures, nanocrystals of the shape memory B2-Ti(Cu,Ni) phase precipitate, and their small size hampers the occurrence of a martensitic transformation.

  20. Effects of aging on the characteristics of TiNiPd shape memory alloy thin films

    SciTech Connect (OSTI)

    Zhang Congchun

    2008-07-15

    TiNiPd thin films have been deposited on glass substrate using R.F. magnetron sputtering. Effects of annealing and aging on the microstructure, phase transformation behaviors and shape memory effects of these thin films have been studied by X-ray diffractometry, differential scanning calorimeter, tensile tests and internal friction characteristics. The TiNiPd thin films annealed at 750 deg. C exhibit uniform martensite/austenite transformations and shape memory effect. Aging at 450 deg. C for 1 h improved the uniformity of transformations and shape memory effect. Long time aging decreased transformation temperatures and increased the brittleness of TiNiPd thin films.

  1. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 | Department of

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

    Energy Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 A presentation about how hydrogen can be reversibly absorbed and desorbed from NaAlH4 under moderate conditions by the addition of catalysts. catalytic_effect_of_ti.pdf (877.97 KB) More Documents & Publications Final Report for the DOE Metal Hydride Center of Excellence Effects of Point Defects and Impurities on Kinetics in NaAlH4 Prediction of New Hydrogen Storage Compounds

  2. Model NbTi Helical Solenoid Fabrication and Test Results

    SciTech Connect (OSTI)

    Andreev, N.; Barzi, E.; Chlachidze, G.; Evbota, D.; Kashikhin, V.S.; Kashikhin, V.V.; Lamm, M.J.; Makarov, A.; Novitski, I.; Orris, D.F.; Tartaglia, M.A.; /Fermilab

    2011-09-01

    A program to develop model magnets for a helical cooling channel is under way at Fermilab. In the first steps of a planned sequence of magnets, two four-coil helical solenoid models with 300 mm aperture have been fabricated and tested. These two models, HSM01 and HSM02, used insulated NbTi Rutherford cable wound onto stainless steel rings with spliceless transitions between coils. Strip heaters were included for quench protection of each coil, and the coils were epoxy-impregnated after winding inside the support structures. Based on the results of the first model the second model was made using a cable with optimized cross-section, improved winding and epoxy-impregnation procedures, enhanced ground insulation, and included heat exchange tubing for a test of conduction cooling. We report on the results and lessons learned from fabrication and tests of these two models.

  3. Chemical vapor infiltration of TiB{sub 2} composites

    SciTech Connect (OSTI)

    Besmann, T.M.

    1995-05-01

    This program is designed to develop a Hall-Heroult aluminum smelting cathode with substantially improved properties. The carbon cathodes in current use require significant anode-to-cathode spacing in order to prevent shorting, causing significant electrical inefficiencies. This is due to the non-wettability of carbon by aluminum which causes instability in the cathodic aluminum pad. It is suggested that a fiber reinforced-TiB{sub 2} matrix composite would have the requisite wettability, strength, strain-to-failure, cost, and lifetime to solve this problem. The approach selected to fabricate such a cathode material is chemical vapor infiltration (CVI). This program is designed to evaluate potential fiber reinforcements, fabricate test specimens, and test the materials in a static bath and lab-scale Hall cell.

  4. Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3

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

    Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro; Seshadri, Ram

    2015-12-16

    The characteristic structural off -centering of Pb2+ in oxides, associated with its 6s2 lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr0.9Sn0.1TiO3 and Ba0.79Ca0.16Sn0.05TiO3 using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn2+ appears to display some of the characteristics of Pb2+. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compounds SrTiO3 and BaTiO3. Lastly, we find that even at these smallmore » substitution levels, the Sn2+ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO3 rather than the parent compounds.« less

  5. Growth control of oxygen stoichiometry in homoepitaxial SrTiO3...

    Office of Scientific and Technical Information (OSTI)

    Growth control of oxygen stoichiometry in homoepitaxial SrTiO3 films by pulsed laser epitaxy in high vacuum Prev Next Title: Growth control of oxygen stoichiometry in ...

  6. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore »the boundary plane is further confirmed by first principles theoretical calculations.« less

  7. An experimental study of the (Ti-6Al-4V)-xH phase diagram using...

    Office of Scientific and Technical Information (OSTI)

    An experimental study of the (Ti-6Al-4V)-xH phase diagram using in situ synchrotron XRD and TGADSC techniques This content will become publicly available on February 10, 2017 ...

  8. Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)

    SciTech Connect (OSTI)

    Chen, Long; Li, Zhenjun; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2014-04-16

    Understanding hydrogen formation on TiO2 surfaces is of great importance as it could provide fundamental insight into water splitting for hydrogen production using solar energy. In this work, hydrogen formation from glycols having different numbers of methyl end-groups have been studied using temperature pro-grammed desorption on reduced, hydroxylated, and oxidized TiO2(110) surfaces. The results from OD-labeled glycols demon-strate that gas-phase molecular hydrogen originates exclusively from glycol hydroxyl groups. The yield is controlled by a combi-nation of glycol coverage, steric hindrance, TiO2(110) order and the amount of subsurface charge. Combined, these results show that proximal pairs of hydroxyl aligned glycol molecules and subsurface charge are required to maximize the yield of this redox reaction. These findings highlight the importance of geometric and electronic effects in hydrogen formation from adsorbates on TiO2(110).

  9. Studies on the effect of acid treated TiO{sub 2} on the electrical...

    Office of Scientific and Technical Information (OSTI)

    Studies on the effect of acid treated TiOsub 2 on the electrical and tensile properties of hexanoyl chitosan-polystyrene-LiCFsub 3SOsub 3 composite polymer electrolytes ...

  10. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore » the boundary plane is further confirmed by first principles theoretical calculations.« less

  11. Process for producing Ti-Cr-Al-O thin film resistors

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2001-01-01

    Thin films of Ti-Cr-Al-O are used as a resistor material. The films are rf sputter deposited from ceramic targets using a reactive working gas mixture of Ar and O.sub.2. Resistivity values from 10.sup.4 to 10.sup.10 Ohm-cm have been measured for Ti-Cr-Al-O film <1 .mu.m thick. The film resistivity can be discretely selected through control of the target composition and the deposition parameters. The application of Ti-Cr-Al-O as a thin film resistor has been found to be thermodynamically stable, unlike other metal-oxide films. The Ti-Cr-Al-O film can be used as a vertical or lateral resistor, for example, as a layer beneath a field emission cathode in a flat panel display; or used to control surface emissivity, for example, as a coating on an insulating material such as vertical wall supports in flat panel displays.

  12. Flat panel display using Ti-Cr-Al-O thin film

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2002-01-01

    Thin films of Ti--Cr--Al--O are used as a resistor material. The films are rf sputter deposited from ceramic targets using a reactive working gas mixture of Ar and O.sub.2. Resistivity values from 10.sup.4 to 10.sup.10 Ohm-cm have been measured for Ti--Cr--Al--O film <1 .mu.m thick. The film resistivity can be discretely selected through control of the target composition and the deposition parameters. The application of Ti--Cr--Al--O as a thin film resistor has been found to be thermodynamically stable, unlike other metal-oxide films. The Ti--Cr--Al--O film can be used as a vertical or lateral resistor, for example, as a layer beneath a field emission cathode in a flat panel display; or used to control surface emissivity, for example, as a coating on an insulating material such as vertical wall supports in flat panel displays.

  13. Mechanical properties of bulk and nanoscale TiO[subscript 2] phases

    SciTech Connect (OSTI)

    Swamy, V.; Holbig, E.; Dubrovinksy, L.S.; Prakapenka, V.; Muddle, B.C.

    2008-09-11

    The mechanical properties of bulk and nanoscale TiO{sub 2} phases are examined with a view to assess the available bulk modulus and hardness data, and to understand the size-dependent behaviors. The bulk modulus values of thermodynamically stable bulk TiO{sub 2} phases show a general correlation with Ti-O coordination number. As with the cotunnite-structured (OII) phase, it is likely that the seven-coordinated OI and eight-coordinated fluorite forms of TiO{sub 2} are ultrahard substances. Of the nanoscale phases investigated thus far, nanocrystalline anatase displays the strongest size dependence of bulk modulus values, with possible stiffening behavior effected by incipient grain boundary amorphization under pressure. Nanocrystalline rutile and baddeleyite phases do not show appreciable size dependence in their compression behaviors.

  14. Preparation of atomically flat rutile TiO2(001) surfaces for...

    Office of Scientific and Technical Information (OSTI)

    surfaces for oxide film growth This content will become publicly available on January 1, 2017 Prev Next Title: Preparation of atomically flat rutile TiO2(001) surfaces ...

  15. Recyclability study on Inconel 718 and Ti-6Al-4V powders for...

    Office of Scientific and Technical Information (OSTI)

    Ti-6Al-4V, on the other hand, finds its reuse time governed by the oxygen pick up that occurs during and in between build cycles. The detailed results have been presented. Authors: ...

  16. Infrared optical absorption in low-spin Fe 2+ -doped SrTiO 3...

    Office of Scientific and Technical Information (OSTI)

    This content will become publicly available on January 6, 2017 Title: Infrared optical absorption in low-spin Fe 2+ -doped SrTiO 3 Authors: Comes, Ryan B. ; Kaspar, Tiffany C. ; ...

  17. Irradiation creep of the US Heat 832665 of V-4Cr-4Ti (Journal...

    Office of Scientific and Technical Information (OSTI)

    The paper presents irradiation creep data for V-4Cr-4Ti irradiated to 3.7 dpa at 425 and 600 C in the HFIR-17J experiment. Creep deformation was characterized by measuring ...

  18. Adhesion strength of sputtered TiAlN-coated WC insert tool

    SciTech Connect (OSTI)

    Budi, Esmar; Razali, M. Mohd.; Nizam, A. R. Md.

    2013-09-09

    The adhesion strength of TiAlN coating that deposited by using DC magnetron sputtering on WC insert tool are studied. TiAlN coating are deposited on Tungsten Carbide (WC) insert tool by varying negatively substrate bias from 79 to 221 volt and nitrogen flow rate from 30 to 72 sccm. The adhesion strength are obtained by using Rockwell indentation test method with a Brale diamond at applied load of 60,100 and 150 kgf. The lateral diameter of indentation is plotted on three different applied loads and the adhesion strength of TiAlN coating was obtained from the curved slopes at 100 and 150 kgf. The lower curve slop indicated better adhesion strength. The results shows that the adhesion strength of sputterred TiAlN coating tend to increase as the negatively substrate bias and nitrogen flow rate are increased.

  19. A New Method of Low Cost Production of Ti Alloys to Reduce Energy...

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

    by sintering of TiH 2 in (a) hydrogen, (b) vacuum (SEM ) Refine grain sizes by controlling H 2 content and phase transformation in as-sintered state High density - >99% ...

  20. Infrared Optical Absorption in Low-spin Fe2+-doped SrTiO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Title: Infrared Optical Absorption in Low-spin Fe2+-doped SrTiO3 Band gap engineering in ... The novel electronic states observed here offer a new avenue for band gap engineering in ...

  1. FIRST-PRINCIPLES PHASE STABILITY IN THE TI-V ALLOY SYSTEM (Journal...

    Office of Scientific and Technical Information (OSTI)

    IN THE TI-V ALLOY SYSTEM Citation Details In-Document ... OSTI Identifier: 1108866 Report Number(s): LLNL-JRNL-635374 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal ...

  2. Alturas LLC- FE Dkt. No. 14-55-NG (FTA)

    Broader source: Energy.gov [DOE]

    The Office of Fossil Energy gives notice of receipt of an application filed on April 18, 2014, by Alturas LLC requesting long-term authority to export up to a total of 1.5 million metric tons ...

  3. completed-ng-projects | netl.doe.gov

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

    Completed Natural Gas and Unconventional Resources Projects Project Number Project Name Primary Performer 09122-32 A Geomechanical Model for Gas Shales Based on the Integration of ...

  4. A microbial fuel cell operating at low pH using an acidophile, Acidiphilium cryptum.

    SciTech Connect (OSTI)

    Borole, Abhijeet P; Cesar, Scott A; O'Neill, Hugh Michael; Tsouris, Costas

    2008-01-01

    A microbial fuel cell using an acidophilic microorganism, Acidiphilium cryptum, as the anode biocatalyst was investigated. The mode of electron transfer by this organism to the electrode was studied. Electricity production in the presence of a mediator was demonstrated using its natural electron acceptor, iron, as well as phenosafranin as the electron mediating agent. Production of Fe(II), as a result of iron reduction, at a pH of 4.0 or below was found to support electricity production. Accumulation of the oxidized iron, Fe(III) as a result of electron donation to the electrode, however, restricted higher current output. Addition of nitrilotriacetic acid helped resolve the problem by redissolution of deposited Fe(III). Further, use of phenosafranin as a secondary mediator resulted in improvement in power output. At a cell loading equivalent to OD600 of 1.0, a power output of 12.7 mW/m2 was obtained in a two-chamber air-sparged fuel cell. Potential for direct electron transfer was also investigated but not detected under the conditions studied.

  5. Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres: Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres

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

    Khromova, Irina; Kužel, Petr; Brener, Igal; Reno, John L.; Chung Seu, U-Chan; Elissalde, Catherine; Maglione, Mario; Mounaix, Patrick; Mitrofanov, Oleg

    2016-06-27

    Monocrystalline titanium dioxide (TiO2) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO2 micro-resonators can be used to enhance the interplay of magnetic and electric dipolemore » resonances in the emerging THz all-dielectric metamaterial technology.« less

  6. Theoretical Assessment on the Phase Transformation Kinetic Pathways of Multi-component Ti Alloys: Application to Ti-6Al-4V

    SciTech Connect (OSTI)

    Ji, Yanzhou; Heo, Tae Wook; Zhang, Fan; Chen, Long-Qing

    2015-12-21

    Here we present our theoretical assessment of the kinetic pathways during phase transformations of multi-component Ti alloys. Employing the graphical thermodynamic approach and an integrated free energy function based on the realistic thermodynamic database and assuming that a displacive structural transformation occurs much faster than long-range diffusional processes, we analyze the phase stabilities of Ti-6Al-4V (Ti-6wt.%Al-4wt.%V). Our systematic analyses predict a variety of possible kinetic pathways for β to (α + β) transformations leading to different types of microstructures under various heat treatment conditions. In addition, the possibility of unconventional kinetic pathways is discussed. Lastly, we also briefly discuss the application of our approach to general multicomponent/multiphase alloy systems.

  7. Hydrogenated TiO{sub 2} film for enhancing photovoltaic properties of solar cells and self-sensitized effect

    SciTech Connect (OSTI)

    He, Hongcai; Yang, Kui; Wang, Ning Luo, Feifei; Chen, Haijun

    2013-12-07

    Hydrogenated TiO{sub 2} film was obtained by annealing TiO{sub 2} film at 350 °C for 2 h with hydrogen, and TiO{sub 2} films were prepared by screen printing on fluorine-doped tin oxide glass. Structural characterization by X-ray diffraction and electron microscopy did not show obvious difference between hydrogenated TiO{sub 2} film and pristine TiO{sub 2} film. Through optical and electrochemical characterization, the hydrogenated TiO{sub 2} film showed enhanced absorption and narrowed band gap, as well as reduced TiO{sub 2} surface impedance and dark current. As a result, an obviously enhanced photovoltaic effect was observed in the solar cell with hydrogenated TiO{sub 2} as photoanode without adding any dye due to the self-sensitized effect of hydrogenated TiO{sub 2} film, which excited electrons injecting internal conduction band of TiO{sub 2} to generate more photocurrent.

  8. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-15

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6Al-4V). Following gas conditioning, each TiN-coated aluminum electrode reached −225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ∼22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  9. Observation of Ti{sup 4+} ions in a high power impulse magnetron sputtering plasma

    SciTech Connect (OSTI)

    Andersson, Joakim; Anders, Andre; Ehiasarian, Arutiun P.

    2008-08-18

    Multiply charged titanium ions including Ti{sup 4+} were observed in high power impulse magnetron sputtering discharges. Mass/charge spectrometry was used to identify metal ion species. Quadruply charged titanium ions were identified by isotope-induced broadening at mass/charge 12. Due to their high potential energy, Ti{sup 4+} ions give a high yield of secondary electrons, which in turn are likely to be responsible for the generation of multiply charged states.

  10. TiN coated aluminum electrodes for DC high voltage electron guns

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

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloymore » (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.« less

  11. Preparation and properties of sliver and nitrogen co-doped TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Zhang, Ying; Zhang, Jin; Zhu, Zhongqi; Yan, Ningning; Liu, Qingju

    2013-11-15

    Graphical abstract: - Highlights: The silver and nitrogen co-doped TiO{sub 2} photocatalysts were prepared and characterized. The light absorption threshold wavelength of AgNTiO{sub 2} is red-shifted to visible light. The recombination of the photo-generated electrons and holes of AgNTiO{sub 2} is inhibited. The photocatalytic activity of AgNTiO{sub 2} is remarkable improved. - Abstract: TiO{sub 2} photocatalysts co-doped with different content of Ag and N were prepared by solgel method combined with microwave chemical method. The samples were analyzed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscope (TEM), ultravioletvisible diffuse reflectance spectrum (UVvis) and photo-luminescence emission spectrum (PL). The photocatalytic activity was investigated by photocatalytic degradation of methylene blue (MB) under irradiation of fluorescent lamp. The results indicate that Ag and N co-doping can restrain the increase of grain size, broaden the absorption spectrum to visible light region, and inhibit the recombination of the photo-generated electronhole pairs. Moreover, the photocatalytic activity of AgNTiO{sub 2} in MB degradation is remarkable improved. The degradation rate of the sample with Ag:TiO{sub 2} = 0.05 at%, N:TiO{sub 2} = 18.50 wt% in 5 h is 93.44%, which is much higher than that of Degussa P25 (39.40%)

  12. Direct Epoxidation of Propylene over Stabilized Cu+ Surface Sites on Ti Modified Cu2O

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

    Yang, X.; Kattel, S.; Xiong, K.; Mudiyanselage, K.; Rykov, S.; Senanayake, S. D.; Rodriguez, J. A.; Liu, P.; Stacchiola, D. J.; Chen, J. G.

    2015-07-17

    Direct propylene epoxidation by O2 is a challenging reaction because of the strong tendency for complete combustion. Results from the current study demonstrate the feasibility to tune the epoxidation selectivity by generating highly dispersed and stabilized Cu+ active sites in a TiCuOx mixed oxide. The TiCuOx surface anchors the key surface intermediate, oxametallacycle, leading to higher selectivity for epoxidation of propylene.

  13. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  14. Composite WO3/TiO2 nanostructures for high electrochromic activity.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Stephens, Zachary Dan.; Robinson, David B.

    2013-05-01

    A composite material consisting of TiO2 nanotubes (NTs) with WO3 electrodeposited homogeneously on its surface has been fabricated, detached from its substrate, and attached to a fluorine-doped tin oxide film on glass for application to electrochromic (EC) reactions. A paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length on the current density and the EC contrast of the material were studied. The EC redox reaction seen in this material is diffusion- limited, having relatively fast reaction rates at the electrode surface. The composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast and longer memory time compared with the pure WO3 and TiO2.

  15. Structural, morphological and interfacial characterization of Al-Mg/TiC composites

    SciTech Connect (OSTI)

    Contreras, A. . E-mail: acontrer@imp.mx; Angeles-Chavez, C.; Flores, O.; Perez, R.

    2007-08-15

    Morphological and structural characterization of Al-Mg/TiC composites obtained by infiltration process and wetting by the sessile drop technique were studied. Focusing at the interface, wetting of TiC substrates by molten Al-Mg-alloys at 900 deg. C was investigated. Electron probe microanalysis (EPMA) indicated that aluminum carbide (Al{sub 4}C{sub 3}) is formed at the interface and traces of TiAl{sub 3} in the wetting assemblies were detected. Scanning Electron Microscopy (SEM) observations show that TiC particles do not appear to be uniformly attacked to produce a continuous layer of Al{sub 4}C{sub 3} at the interface. Molten Al-Mg-alloys were infiltrated into TiC preforms with flowing argon at a temperature of 900 deg. C. In the composites no reaction phase was observed by SEM. Quantification of the Al phase in the composite was carried out by X-ray diffraction (XRD) and Rietveld analysis. Chemical mapping analyzed by SEM shows that the Al-Mg alloy surrounds TiC particles. In the composites with 20 wt.% of Mg the Al-Mg-{beta} phase was detected through XRD.

  16. Enhancement of solar photocatalytic detoxification by adsorption of porphyrins onto TiO sub 2

    SciTech Connect (OSTI)

    Majumder, S.A.; Ondrias, M.R. . Dept. of Chemistry); Prairie, M.R. ); Shelnutt, J.A. . Dept. of Chemistry Sandia National Labs., Albuquerque, NM )

    1991-01-01

    Titanium dioxide (TiO{sub 2}) is a photocatalyst for solar detoxification of water containing organic contaminants such as solvents, PCB's, dioxins, pesticides, and dyes. Unfortunately, the ultraviolet (UV) energy used by TiO{sub 2} ({lambda}<400 nm) only comprises about 4% of the solar spectrum. One way of enhancing the efficiency of solar detoxification technologies is to utilize a larger portion of the solar spectrum to initiate the Tio{sub 2}- catalyzed detoxification chemistry. Metalloporphyrins strongly absorb visible and near infrared radiation. By utilization of a process called photosensitization, adsorption of these dyes onto TiO{sub 2} can enable a much broader portion of the solar spectrum to be used. Photosensitization relies upon the ability of the dye molecule to absorb more of the solar energy than bare TiO{sub 2} and to interact electronically with the TiO{sub 2} surface in such a way as to initiate TiO{sub 2}-based redox photochemistry using the dye-absorbed energy. 16 refs., 7 figs.

  17. Structural Environment of Nitrogen in N-doped Rutile TiO2(110)

    SciTech Connect (OSTI)

    Henderson, Michael A.; Shutthanandan, V.; Ohsawa, Takeo; Chambers, Scott A.

    2010-12-31

    We employ x-ray photoelectron spectroscopy (XPS), reflection high-energy electron diffraction (RHEED) and nuclear reaction analysis (NRA) to characterize the concentration-dependent structural properties of nitrogen doping into rutile TiO2. High quality N-doped TiO2 were prepared on rutile single crystal TiO2(110) substrates using plasma-assisted molecular beam epitaxy with an electron cyclotron resonance (ECR) plasma and Ti effusive sources. Films with N dopant concentrations at or below 2 at.% exhibited predominately substitutional doping based on NRA data, whereas films with concentrations above this limit resulted in little or no substitutional N and surfaces rich in Ti3+. The binding energy of the N 1s feature in XPS did not readily distinguish between these two extremes in N-doping, rendering features within 0.4 eV of each other and similar peak profiles. Although widely used to characterize the state of N in anion-doped TiO2 materials, we find that XPS is unsuitable for this task.

  18. Production of Ni-Cr-Ti-natural fibres composite and investigation of mechanical properties

    SciTech Connect (OSTI)

    Pesmen, G.; Erol, A.

    2015-03-30

    Intermetallic materials such as Ni{sub 2}Ti, Cr{sub 2}Ti are among advanced technology materials that have outstanding mechanical and physical properties for high temperature applications. Especially creep resistance, low density and high hardness properties stand out in such intermetallics. The microstructure, mechanical properties of (%50Ni-%48Cr-%2Ti)-%10Naturel Fibres and (%64Ni-%32Cr-%4Ti)-%10Naturel Fibres powders were investigated using specimens produced by tube furnace sintering at 1000-1200-1400C temperature. A composite consisting of ternary additions, a metallic phase, Ti,Cr and Ni have been prepared under Ar shroud and then tube furnace sintered. XRD, SEM (Scanning Electron Microscope), were investigated to characterize the properties of the specimens. Experimental results carried out for composition (%64Ni-%32Cr-%4Ti)-%10Naturel at 1400C suggest that the best properties as 112.09HV and 5,422g/cm{sup 3} density were obtained at 1400C.

  19. WO3/TiO2 nanotube photoanodes for solar water splitting with simultaneous wastewater treatment.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Robinson, David B.

    2013-05-01

    Nanostructured WO3/TiO2 nanotubes with properties that enhance solar photoconversion reactions were developed, characterized and tested. The TiO2 nanotubes were prepared by anodization of Ti foil, and WO3 was electrodeposited on top of the nanotubes. SEM images show that these materials have the same ordered structure as TiO2 nanotubes, with an external nanostructured WO3 layer. Diffuse reflectance spectra showed an increase in the visible absorption relative to bare TiO2 nanotubes, and in the UV absorption relative to bare WO3 films. Incident simulated solar photon-to-current efficiency increased from 30% (for bare WO3) to 50% (for WO3/TiO2 composites). With the addition of diverse organic pollutants, the photocurrent densities exhibited more than a 5-fold increase. Chemical oxygen demand measurements showed the simultaneous photodegradation of organic pollutants. The results of this work indicate that the unique structure and composition of these composite materials enhance the charge carrier transport and optical properties compared with the parent materials.

  20. THE SENSITIVITY OF CARBON STEELS' SUSCEPTIBILITY TO LOCALIZED CORROSION TO THE PH OF NITRATE BASED NUCLEAR WASTES

    SciTech Connect (OSTI)

    BOOMER KD

    2010-01-14

    The Hanford tank reservation contains approximately 50 million gallons of liquid legacy radioactive waste from cold war weapons production, which is stored in 177 underground storage tanks. The tanks will be in use until waste processing operations are completed. The wastes tend to be high pH (over 10) and nitrate based. Under these alkaline conditions carbon steels tend to be passive and undergo relatively slow uniform corrosion. However, the presence of nitrate and other aggressive species, can lead to pitting and stress corrosion cracking. This work is a continuation of previous work that investigated the propensity of steels to suffer pitting and stress corrosion cracking in various waste simulants. The focus of this work is an investigation of the sensitivity of the steels' pitting and stress corrosion cracking susceptibility tosimulant pH. Previous work demonstrated that wastes that are high in aggressive nitrate and low in inhibitory nitrite are susceptible to localized corrosion. However, the previous work involved wastes with pH 12 or higher. The current work involves wastes with lower pH of 10 or 11. It is expected that at these lower pHs that a higher nitrite-to-nitrate ratio will be necessary to ensure tank integrity. This experimental work involved both electrochemical testing, and slow strain rate testing at either the free corrosion potential or under anodic polarization. The results of the current work will be discussed, and compared to work previously presented.

  1. Separation of switchgrass bio-oil by water/organic solvent addition and pH adjustment

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

    Park, Lydia Kyoung-Eun; Ren, Shoujie; Yiacoumi, Sotira; Ye, X. Philip; Borole, Abhijeet P.; Tsouris, Costas

    2016-01-29

    Applications of bio-oil are limited by its challenging properties including high moisture content, low pH, high viscosity, high oxygen content, and low heating value. Separation of switchgrass bio-oil components by adding water, organic solvents (hexadecane and octane), and sodium hydroxide may help to overcome these issues. Acetic acid and phenolic compounds were extracted in aqueous and organic phases, respectively. Polar chemicals, such as acetic acid, did not partition in the organic solvent phase. Acetic acid in the aqueous phase after extraction is beneficial for a microbial-electrolysis-cell application to produce hydrogen as an energy source for further hydrodeoxygenation of bio-oil. Organicmore » solvents extracted more chemicals from bio-oil in combined than in sequential extraction; however, organic solvents partitioned into the aqueous phase in combined extraction. When sodium hydroxide was added to adjust the pH of aqueous bio-oil, organic-phase precipitation occurred. As the pH was increased, a biphasic aqueous/organic dispersion was formed, and phase separation was optimized at approximately pH 6. The neutralized organic bio-oil had approximately 37% less oxygen and 100% increased heating value than the initial centrifuged bio-oil. In conclusion, the less oxygen content and increased heating value indicated a significant improvement of the bio-oil quality through neutralization.« less

  2. Draft Genome Sequence for Microbacterium laevaniformans Strain OR221, a Bacterium Tolerant to Metals, Nitrate, and Low pH

    SciTech Connect (OSTI)

    Brown, Steven D; Palumbo, Anthony Vito; Panikov, Nikolai; Ariyawansa, Thilini; Klingeman, Dawn Marie; Johnson, Courtney M; Land, Miriam L; Utturkar, Sagar M; Epstein, Slava

    2012-01-01

    Microbacterium laevaniformans strain OR221 was isolated from subsurface sediments obtained from the Field Research Center (FRC) in Oak Ridge, TN. It was characterized as a bacterium tolerant to heavy metals such as uranium, nickel, cobalt, cadmium, as well as nitrate and low pH. We present its draft genome sequence.

  3. The effects of low pH and elevated aluminum on yellowstone cutthroat trout (Oncorhynchus clarki bouvieri)

    SciTech Connect (OSTI)

    Farag, A.M. ); Woodward, D.F. ); Little, E.E.; Steadman, B. ); Vertucci, F.A. )

    1993-04-01

    Although acid deposition is not considered a problem in the western US, surface waters in high elevations and fish inhabiting these waters may be vulnerable to acidification. This study examined the sensitivity of a wester salmonid to acid and aluminum stress. Yellowstone cutthroat trout (Oncorhynchus clarki bouvieri; YSC) were exposed for 7 d during each of four early life stages, or continuously from fertilization to 40 d post-hatch, to decreased pH and elevated Al. The authors monitored survival, growth, whole-body ion content, and behavior of the exposed fish. Sensitivity of early life stages of YSC may be expressed by survival or by survival and sublethal effects. In their study, eggs were the most sensitive life stage of YSC to low pH if survival alone was considered. However, the sublethal effects on growth, tissue ion content, and behavior revealed the alevins and swim-up larvae were more sensitive to reduced pH and increased Al than eggs or eyed embryos. They also observed that survival was significantly decreased if YSC were exposed to pH 6.0 and 50 [mu]g Al per liter continuously from fertilization to 40 d post-hatch.

  4. A Comparative Study of the Water Gas Shift Reaction Over Platinum Catalysts Supported on CeO2, TiO2 and Ce-Modified TiO2

    SciTech Connect (OSTI)

    Gonzalez, I.; Navarro, R; Wen, W; Marinkovic, N; Rodriguez, J; Rosa, F; Fierro, J

    2010-01-01

    WGS reaction has been investigated on catalysts based on platinum supported over CeO{sub 2}, TiO{sub 2} and Ce-modified TiO{sub 2}. XPS and XANES analyses performed on calcined catalysts revealed a close contact between Pt precursors and cerium species on CeO{sub 2} and Ce-modified TiO{sub 2} supports. TPR results corroborate the intimate contact between Pt and cerium entities in the Pt/Ce-TiO{sub 2} catalyst that facilitates the reducibility of the support at low temperatures while the Ce-O-Ti surface interactions established in the Ce-modified TiO{sub 2} support decreases the reduction of TiO{sub 2} at high temperature. The changes in the support reducibility leads to significant differences in the WGS activity of the studied catalysts. Pt supported on Ce-modified TiO{sub 2} support exhibits better activity than those corresponding to individual CeO{sub 2} and TiO{sub 2}-supported catalysts. Additionally, the Ce-TiO{sub 2}-supported catalyst displays better stability at reaction temperatures higher than 573 K that observed on pure TiO{sub 2}-supported counterpart. Activity measurements, when coupled with the physicochemical characterization of catalysts suggest that the modifications in the surface reducibility of the support play an essential role in the enhancement of activity and stability observed when Pt is supported on the Ce-modified TiO{sub 2} substrate.

  5. Supersaturated Al(Ti) solid solutions with partial L1{sub 2} ordering prepared by mechanical alloying

    SciTech Connect (OSTI)

    Fan, G.J.; Quan, M.X.; Hu, Z.Q.

    1995-08-01

    The authors report phase formation during mechanical alloying of Al rich Ti-Al powder blends. Their experimental results further support the idea that the synthesis of Al rich supersaturated solid solutions in the Al-Ti system occurs in the following two steps. First, the ordered L1{sub 2}-Al{sub 3}Ti intermetallic compound is formed at Al/Ti interfaces. Second, the ordered L1{sup 2}-Al{sub 3}Ti compound was partially disordered by mechanical deformation. Meanwhile, Ti or Al atoms dissolve into the partially disordered phase and a supersaturated solid solution is finally obtained. However, the disordering is not complete and the resulting alloys may exhibit partial L1{sub 2} ordering.

  6. Molecular basis of the structural stability of a Top7-based scaffold at extreme pH and temperature conditions

    SciTech Connect (OSTI)

    Soares, Thereza A.; Boschek, Curt B.; Apiyo, David O.; Baird, Cheryl L.; Straatsma, TP

    2010-07-01

    The development of stable scaffolds that can tolerate environmental extremes has an immense potential for applications in industry and defense. Recently, we have engineered an eight-residue loop into the de novo designed Top7 protein, which specifically binds the glycoprotein CD4. The robust properties of the Top7, coupled with the ease in production, make it a robust scaffold to design novel functionalities for use under extreme environmental conditions. In the present work, a series of explicit-solvent molecular dynamics simulations are reported which investigates the effect of mutations and extreme conditions of temperature and pH on the structure, stability, and dynamics of the native and engineered Top7. These simulations indicate that i. The structural dynamics of the engineered and native Top7 in solution are equivalent under corresponding conditions of pH and temperature. Ensemble-averaged structures of the native and engineered Top7 maintain the overall tertiary structure pattern, albeit with loss of helical content when at low pH and high-temperature conditions. Mutations of residues E43A, D46A, E67A, E69A, EA81A along the ?-helices of the engineered Top7 did not lead to significant changes in the native fold under pH 2 and 400 K, suggesting that the helices can accommodate varying sequences. iii. The anti-parallel ?-sheet is the structural core responsible for the stability of the native and engineered Top7 and is well maintained under extreme pH and temperature conditions. These findings indicate that the insertion of an eight-residue loop into the structure of Top7 does not adversely affect the global fold or the structural stability of the Top7 scaffold.

  7. Improving the osteointegration of Ti6Al4V by zeolite MFI coating

    SciTech Connect (OSTI)

    Li, Yong; Jiao, Yilai; Li, Xiaokang; Guo, Zheng

    2015-05-01

    Osteointegration is crucial for success in orthopedic implantation. In recent decades, there have been numerous studies aiming to modify titanium alloys, which are the most widely used materials in orthopedics. Zeolites are solid aluminosilicates whose application in the biomedical field has recently been explored. To this end, MFI zeolites have been developed as titanium alloy coatings and tested in vitro. Nevertheless, the effect of the MFI coating of biomaterials in vivo has not yet been addressed. The aim of the present work is to evaluate the effects of MFI-coated Ti6Al4V implants in vitro and in vivo. After surface modification, the surface was investigated using field emission scanning electron microscopy (FE-SEM) and energy dispersive spectroscopy (EDS). No difference was observed regarding the proliferation of MC3T3-E1 cells on the Ti6Al4V (Ti) and MFI-coated Ti6Al4V (M−Ti) (p > 0.05). However, the attachment of MC3T3-E1 cells was found to be better in the M−Ti group. Additionally, ALP staining and activity assays and quantitative real-time RT-PCR indicated that MC3T3-E1 cells grown on the M−Ti displayed high levels of osteogenic differentiation markers. Moreover, Van-Gieson staining of histological sections demonstrated that the MFI coating on Ti6Al4V scaffolds significantly enhanced osteointegration and promoted bone regeneration after implantation in rabbit femoral condylar defects at 4 and 12 weeks. Therefore, this study provides a method for modifying Ti6Al4V to achieve improved osteointegration and osteogenesis. - Highlights: • Osteointegration is a crucial factor for orthopedic implants. • We coated MFI zeolite on Ti6Al4V substrates and investigated the effects in vitro and in vivo. • The MFI coating displayed good biocompatibility and promoted osteogenic differentiation in vitro. • The MFI coating promoted osteointegration and osteogenesis peri-implant in vivo.

  8. Synthesis and characterization of F-N-W-codoped TiO{sub 2} photocatalyst with enhanced visible light response

    SciTech Connect (OSTI)

    Shi, Xiaoliang; School of Materials Science and Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070 ; Qin, Haibo; Yang, Xingyong; Zhang, Qiaoxin; School of Materials Science and Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? Anatase F-N-W-codoped TiO{sub 2} was prepared by a solgel-hydrothermal method. ? Under visible illumination, carbon removal rate of RB reached 94% using F-7NW-TiO{sub 2}. ? F, N and W dopants narrowed band gap and lowed charge pairs recombination rate. ? There were W{sub x}Ti{sub 1?x}O{sub 2}, O-Ti-N and valence variation of W ions existing. -- Abstract: Anatase F-N-W-codoped TiO{sub 2} photocatalyst was successfully prepared by a method combining solgel with hydrothermal treatment. Effects of F, N and W ion dosage concentration on the crystallinity, morphology, grain size and chemical status of the photocatalyst were investigated. The results showed that the F-7NW-TiO{sub 2} photocatalyst composed of uniform ellipsoidal particles around 20 nm in length and 10 nm in width, and the photocatalyst displayed enhanced visible-light absorption and photocatalytic activities. Using the photocatalyst and under visible irradiation for 1.5 h, the decoloration percent of RB and carbon removal rate were about 98% and 94% respectively, which were much higher than that of commercial P25, TiO{sub 2}, N-W-TiO{sub 2} and F-TiO{sub 2}. The high visible-light photocatalytic activity of F-7NW-TiO{sub 2} might result from narrowing the band gap and lowing charge pairs recombination rate for the W{sub x}Ti{sub 1?x}O{sub 2}, O-Ti-N and valence variation of W ions existing.

  9. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, Xianghong; Peker, Atakan; Johnson, William L.

    1997-01-01

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM.sub.1-x Ti.sub.x).sub.a Cu.sub.b (Ni.sub.1-y Co.sub.y).sub.c wherein x is from 0.1 to 0.3, y.cndot.c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b.

  10. Fatigue crack growth behavior of Ti-1100 at elevated temperature

    SciTech Connect (OSTI)

    Maxwell, D.C.; Nicholas, T.

    1995-12-31

    Effects of temperature, frequency, and cycles with superimposed hold times are evaluated in Ti-1100 in order to study the complex creep-fatigue-environment interactions in this material. Crack growth rate tests conducted at cyclic loading frequency of 1.0 Hz show that raising the temperature from 593 to 650 C has only a slightly detrimental effect on crack growth rate, although these temperatures produce growth rates significantly higher than at room temperature. From constant {Delta}K tests, the effects of temperature at constant frequency show a minimum crack growth rate at 250 C. From the minimum crack growth rate at 250 C, the crack growth rate increases linearly with temperature. Increases in frequency at constant temperatures of 593 and 650 C produce a continuous decrease in growth rate in going from 0.001 to 1.0 Hz, although the behavior is primarily cycle dependent in this region. Tests at 1.0 Hz with superimposed hold times from 1 to 1,000 s are used to evaluate creep-fatigue-environment interactions. Hold times at maximum load are found to initially decrease and then increase the cyclic crack growth rate with increasing duration. This is attributed to crack-tip blunting during short hold times and environmental degradation at long hold times. Hold times at minimum load show no change in growth rates, indicating that there is no net environmental degradation to the bulk material beyond that experienced during the baseline 1 Hz cycling.

  11. REE Sorption Study on sieved -50 +100 mesh fraction of Media #1 in Brine #1 with Different Starting pH's at 70C

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

    Gary Garland

    2015-09-29

    This is a continuation of the REE sorption study for shaker bath tests on 2g media #1 in 150mL brine #1 with different starting pH's at 70C. In a previous submission we reported data for shaker bath tests for brine #1 with starting pH's of 3.5, 4.5 and 5.5. In this submission we these pH's compared to starting brine #1 pH's of 6, and 7.

  12. Advancements in Ti Alloy Powder Production by Close-Coupled Gas Atomization

    SciTech Connect (OSTI)

    Heidloff, Andy; Rieken, Joel; Anderson, Iver; Byrd, David

    2011-04-01

    As the technology for titanium metal injection molding (Ti-MIM) becomes more readily available, efficient Ti alloy fine powder production methods are required. An update on a novel close-coupled gas atomization system has been given. Unique features of the melting apparatus are shown to have measurable effects on the efficiency and ability to fully melt within the induction skull melting system (ISM). The means to initiate the melt flow were also found to be dependent on melt apparatus. Starting oxygen contents of atomization feedstock are suggested based on oxygen pick up during the atomization and MIM processes and compared to a new ASTM specification. Forming of titanium by metal injection molding (Ti-MIM) has been extensively studied with regards to binders, particle shape, and size distribution and suitable de-binding methods have been discovered. As a result, the visibility of Ti-MIM has steadily increased as reviews of technology, acceptability, and availability have been released. In addition, new ASTM specification ASTM F2885-11 for Ti-MIM for biomedical implants was released in early 2011. As the general acceptance of Ti-MIM as a viable fabrication route increases, demand for economical production of high quality Ti alloy powder for the preparation of Ti-MIM feedstock correspondingly increases. The production of spherical powders from the liquid state has required extensive pre-processing into different shapes thereby increasing costs. This has prompted examination of Ti-MIM with non-spherical particle shape. These particles are produced by the hydride/de-hydride process and are equi-axed but fragmented and angular which is less than ideal. Current prices for MIM quality titanium powder range from $40-$220/kg. While it is ideal for the MIM process to utilize spherical powders within the size range of 0.5-20 {mu}m, titanium's high affinity for oxygen to date has prohibited the use of this powder size range. In order to meet oxygen requirements the top size

  13. Adsorption, Desorption, and Dissociation of Benzene on TiO2(110) and Pd/TiO2(110)

    SciTech Connect (OSTI)

    Zhou, Jing; Dag, Sefa; Senanayake, Sanjaya D; Hathorn, Bryan C; Kalinin, Sergei V; Meunier, Vincent; Mullins, David R; Overbury, Steven {Steve} H; Baddorf, Arthur P

    2006-01-01

    Adsorption and reaction of benzene molecules on clean TiO{sub 2}(110) and on TiO{sub 2}(110) with deposited Pd nanoparticles are investigated using a combination of scanning tunneling microscopy (STM), temperature-programmed desorption, and first-principles calculations. Above {approx}50 K, the one-dimensional motion of benzene between bridging oxygen rows is shown to be too fast for STM imaging. At 40 K benzene molecules form chains on top of titanium rows, with calculations indicating every other benzene is rotated 30{sup o}. Both experimental and theoretical studies find no dissociative reactivity of benzene on the clean TiO{sub 2}(110) surface, due to little hybridization between TiO{sub 2} and benzene electronic states. After deposition of Pd nanoparticles, molecular benzene is observed with STM both on the substrate and adjacent to metallic particles. Upon heating to 800 K, benzene fully breaks down into its atomic constituents in a multistep decomposition process.

  14. Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs

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

    Qiao, Q.; Zhang, Y.; Contreras-Guerrero, Rocio; Droopad, Ravi; Pantelides, S. T.; Pennycook, Stephen J.; Ogut, Serdar; Klie, Robert F.

    2015-11-16

    The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO3 thin filmsgrown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO3 grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. We also use a combination of aberration-corrected scanning transmission electron microscopy and first-principles densitymore » functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectricpolarization of a BaTiO3 thin filmgrown on GaAs. Moreover, we demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO3), and propose that the presence of surface charge screening allows the formation of switchable domains.« less

  15. Reactivity Screening of Anatase TiO2 Nanotube Arrays and Anatase Thin Films: A Surface Chemistry Point of View

    SciTech Connect (OSTI)

    Funk, S.; Hokkanen, B.; Nurkic, T.; Goering, J.; Kadossov, E.; Burghaus, Uwe; Ghicov, A.; Schmuki, P.; Yu, Zhongqing; Thevuthasan, Suntharampillai; Saraf, Laxmikant V.

    2008-09-19

    As a reactivity screening we collected thermal desorption spectroscopy (TDS) data of iso-butane, O2, CO2, and CO adsorbed on ordered TiO2 nanotube (TiNTs) arrays. As a reference system iso-butane adsorption on an anatase TiO2 thin film has been considered as well. The as-grown TiNTs are vertically aligned and amorphous. Polycrystalline (poly.) anatase or poly. anatase/rutile mixed nanotubes are formed by annealing confirmed by x-ray diffraction (XRD) and scanning electron microscopy (SEM). The anatase thin film was grown on SrTiO3(001) and characterized by XRD and atomic force microscopy (AFM). Surprisingly, oxygen distinctly interacts with the TiNTs whereas this process is not observed on fully oxidized single crystal rutile TiO2(110). Desorption temperatures of 110-150 K and 100-120 K were observed for CO2 and CO, respectively, on the TiNTs. Variations in the binding energies of the alkanes on TiNTs and anatase thin films also were present, i.e., a structure-activity relationship (SAR) is evident.

  16. Synthesis and characterization of CdS doped TiO{sub 2} nanocrystalline powder: A spectroscopic study

    SciTech Connect (OSTI)

    Thakur, Priya; Chadha, Ridhima; Biswas, Nandita; Sarkar, Sisir K.; Mukherjee, Tulsi; Joshi, Satyawati S.; Kapoor, Sudhir

    2012-07-15

    Graphical abstract: Raman spectra of TiO{sub 2} sample doped with 50% CdS and annealed at 600 C. Highlights: ? Transformation from anatase to rutile is prohibited in doped TiO{sub 2}. ? FTIR study indicates that TiO{sub 2} lattice has been modified in the presence of CdS. ? Raman spectroscopy is found to be more sensitive as compared to XRD. -- Abstract: This report aimed to study the effect of CdS doping in TiO{sub 2} on the phase transformation of TiO{sub 2} from anatase to rutile using X-ray diffraction (XRD) and Raman spectroscopy. CdS-doped TiO{sub 2} nanocomposites have been prepared and characterized using Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). We have observed that contrary to bare TiO{sub 2}, phase transformation of TiO{sub 2} from anatase to rutile is hindered when doped with CdS at high temperature. Raman spectroscopy is found to be more sensitive for detection of the surface of TiO{sub 2} as compared to XRD.

  17. The electronic and optical properties of Eu/Si-codoped anatase TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Lin Yanming; Jiang Zhenyi; Zhang Xiaodong; Hu Xiaoyun; Fan Jun

    2012-03-05

    The electronic and optical properties of Eu/Si-codoped anatase TiO{sub 2} are investigated using the density functional theory. The calculated results show that the synergistic effects of Eu/Si codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatalytic activities than pure anatase TiO{sub 2}. To verify the reliability of our calculated results, nanocrystalline Eu/Si-codoped TiO{sub 2} is prepared by a sol-gel-solvothermal method, and the experimental results also indicate that the codoping sample exhibits better absorption performance and higher photocatalytic activities than pure TiO{sub 2}.

  18. The visible light degradation activity and the photocatalytic mechanism of tetra(4-carboxyphenyl) porphyrin sensitized TiO{sub 2}

    SciTech Connect (OSTI)

    Wang, Huigang; Zhou, Dongmei; Wu, Zhangzhu; Wan, Junmin; Zheng, Xuming; Yu, Lihong; Phillips, David Lee

    2014-09-15

    Highlights: Tetra(4-carboxyphenyl) porphyrin were chemically sensitized on TiO{sub 2}. S2S0 fluorescence intensity is enhanced and lifetime prolonged noticeably by TiO{sub 2}. The TCPP-TiO{sub 2} exhibits better photoactivity under visible light than that of TiO{sub 2}. The electronic relaxation dynamics is presented, catalytic mechanism is discussed. Adsorption and photo degradation of MB were systematically investigated. - Abstract: Tetra(4-carboxyphenyl) porphyrin(TCPP) were chemically sensitized on TiO{sub 2} to act as visible light antenna and to modify the photoresponse properties of TiO{sub 2} particles, their properties of photo-generated holes and electrons were studied by transient absorption spectroscopes. The time-correlated single-photon counting (TCSPC) technique revealed that the S2S0 fluorescence intensity of TCPP is enhanced noticeably by TiO{sub 2}, and the lifetime prolonged. Adsorption and photo degradation of methylene blue (MB) over TCPP-TiO{sub 2} were systematically investigated. Moreover the overall picture of electronic relaxation dynamics for TCPP-TiO{sub 2} is presented, and the detailed short-time dynamics for visible-light induced catalytic mechanism was discussed. The development of the porphyrin-based photocatalyst provides an alternative approach in harnessing solar visible light and show promising prospect for the treatment of dye pollutants from wastewaters in future industrial application.

  19. A study of photocatalytic grapheneTiO{sub 2} synthesis via peroxo titanic acid refluxed sol

    SciTech Connect (OSTI)

    Low, Wasu; Boonamnuayvitaya, Virote

    2013-08-01

    Graphical abstract: - Highlights: TiO{sub 2} synthesized via PTA as a precursor demonstrates exclusively anatase phase. The TEM image of GRTiO{sub 2} (PTA) demonstrates that TiO{sub 2} nanoparticles are successfully loaded onto graphene sheet. The specific surface area seems to increase with increasing weight ratio of graphene oxide. It was observed that GRTiO{sub 2} showed higher adsorption compared to bare TiO{sub 2} (PTA). The GRTiO{sub 2} (PTA, 1:50) catalyst showed higher photocatalytic activity than any other catalyst. - Abstract: In the present work, grapheneTiO{sub 2} (GRTiO{sub 2}) photocatalyst with various weight ratios of graphene was synthesized using peroxo titanic acid solution (PTA) as a precursor for TiO{sub 2}. Graphene oxide prepared by Hummer's method was converted to graphene under ultraviolet (UV) irradiation in ethanolwater solvent for 48 h. The as-prepared GRTiO{sub 2} composites were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, UVvis spectrophotometry, and transmission electron microscopy (TEM). The automated potentiostat was applied to measure the photocurrent generations of prepared catalysts. The photocatalytic activities of GRTiO{sub 2} (PTA) catalysts were determined by measuring the percentage methylene blue (MB) degradation. The results showed that TiO{sub 2} nanoparticles were successfully loaded onto graphene sheet and the surface area of catalysts increased with increasing weight ratio of graphene. In addition, GRTiO{sub 2} (PTA, 1:50) exhibited the highest photocatalytic activity among the catalysts under UV and visible light irradiation. The adsorption edge of GRTiO{sub 2} was shifted to a longer wavelength of 400 nm in comparison with that of pure TiO{sub 2} (PTA). The increase in the photocatalytic performance of GRTiO{sub 2} (PTA) catalyst may be attributed to the increase in surface area, the extension of light absorption in the visible light region, and

  20. A New Method of Low Cost Production of Ti Alloys to Reduce Energy Cpnsumption of Mechanical Systems

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

    Zak Fang, PI, University of Utah, U.S. DOE Advanced Manufacturing Office Peer Review Meeting Washington, D.C. May 6-7, 2014 This presentation does not contain any proprietary, confidential, or otherwise restricted information. Project Objective  Develop a novel low cost method for manufacturing Ti  Demonstrate the mechanical properties of Ti using the new method to be equivalent to that of wrought Ti at a fraction of its cost.  Demonstrate advantages of using Ti (by this technology) in

  1. The study of crack resistance of TiAlN coatings under mechanical loading and thermal cycle testing

    SciTech Connect (OSTI)

    Akulinkin, Alexandr Shugurov, Artur Sergeev, Viktor; Panin, Alexey; Cheng, C.-H.

    2015-10-27

    The effect of preliminary ion bombardment of 321 stainless steel substrate on crack resistance of TiAlN coatings at uniaxial tension and thermal cycling is studied. The ion-beam treatment of the substrate is shown to substantially improve the adhesion strength of the coatings that prevents their delamination and spalling under uniaxial tension. The resistance to crack propagation and spalling by the thermal shock is higher in the TiAlN coating deposited onto the substrate subjected to Ti ion bombardment as compared to that in the TiAlN coating deposited onto the initial substrate.

  2. Structure of epitaxial (Fe,N) codoped rutile TiO2 thin films by x-ray absorption

    SciTech Connect (OSTI)

    Kaspar, Tiffany C.; Ney, A.; Mangham, Andrew N.; Heald, Steve M.; Joly, Yves; Ney, V.; Wilhelm, F.; Rogalev, A.; Yakou, Flora; Chambers, Scott A.

    2012-07-23

    Homoepitaxial thin films of Fe:TiO2 and (Fe,N):TiO2 were deposited on rutile(110) by molecular beam epitaxy. X-ray absorption near edge spectroscopy (XANES) spectra were collected at the Ti L-edge, Fe L-edge, O K-edge, N K-edge, and Ti K-edge. No evidence of structural disorder associated with a high concentration of oxygen vacancies is observed. Substitution of Fe for Ti could not be confirmed, although secondary phase Fe2O3 and metallic Fe can be ruled out. The similarity of the N K-edge spectra to O, and the presence of a strong x-ray linear dichroism (XLD) signal for the N K-edge, indicates that N is substitutional for O in the rutile lattice, and is not present as a secondary phase such as TiN. Simulations of the XANES spectra qualitatively confirm substitution, although N appears to be present in more than one local environment. Neither Fe:TiO2 nor (Fe,N):TiO2 exhibit intrinsic room temperature ferromagnetism, despite the presence of mixed valence Fe(II)/Fe(III) in the reduced (Fe,N):TiO2 film.

  3. Micro- and nano-scale hollow TiO{sub 2} fibers by coaxial electrospinning: Preparation and gas sensing

    SciTech Connect (OSTI)

    Zhang Jin; Choi, Sun-Woo; Kim, Sang Sub

    2011-11-15

    We report the preparation of micro- and nano-scale hollow TiO{sub 2} fibers using a coaxial electrospinning technique and their gas sensing properties in terms of CO. The diameter of hollow TiO{sub 2} fibers can be controlled from 200 nm to several micrometers by changing the viscosity of electrospinning solutions. Lower viscosities produce slim hollow nanofibers. In contrast, fat hollow microfibers are obtained in the case of higher viscosities. A simple mathematical expression is presented to predict the change in diameter of hollow TiO{sub 2} fibers as a function of viscosity. The successful control over the diameter of hollow TiO{sub 2} fibers is expected to bring extensive applications. To test a potential use of hollow TiO{sub 2} fibers in chemical gas sensors, their sensing properties to CO are investigated at room temperature. - Graphical abstract: Microstructures of as-prepared and calcined hollow TiO{sub 2} fibers prepared by the electrospinning technique with a coaxial needle. Dynamic response at various CO concentrations for the sensor fabricated with the hollow TiO{sub 2} fibers. Highlights: > Hollow TiO{sub 2} fibers were synthesized using a coaxial electrospinning technique. > Their diameter can be controlled by changing the viscosity of electrospinning solutions. > Lower viscosities produce slim hollow nanofibers. > In contrast, fat hollow microfibers are obtained in the case of higher viscosities. > Successful control over the diameter of hollow TiO{sub 2} fibers will bring extensive applications.

  4. Synthesis and characterization of zinc doped nano TiO{sub 2} for efficient photocatalytic degradation of Eriochrome Black T

    SciTech Connect (OSTI)

    Singla, Pooja; Singh, Kulvir; Pandey, O. P.; Sharma, Manoj

    2013-06-03

    Sol-gel method was used to synthesize undoped and zinc doped TiO{sub 2} with varied dopant concentrations using titanium tetraisopropoxide and zinc acetate as precursors. The synthesized catalyst samples were characterized by various techniques such as X-ray powder diffraction (XRD), UV-vis diffuse reflectance (DRS). The photocatalytic activity was determined by means of degradation of azo dye Eriochrome Black T. The results revealed that Zn doped TiO{sub 2} nanoparticles exhibited better results as compared to undoped TiO{sub 2} nanoparticles. Zn doped TiO{sub 2} (0.7mol %) nanoparticles exhibited the highest photocatalytic activity.

  5. Thermal conductivity of nitride films of Ti, Cr, and W deposited by reactive magnetron sputtering

    SciTech Connect (OSTI)

    Jagannadham, Kasichainula

    2015-05-15

    Nitride films of Ti, Cr, and W were deposited using reactive magnetron sputtering from metal targets in argon and nitrogen plasma. TiN films with (200) orientation were achieved on silicon (100) at the substrate temperature of 500 and 600?C. The films were polycrystalline at lower temperature. An amorphous interface layer was observed between the TiN film and Si wafer deposited at 600?C. TiN film deposited at 600?C showed the nitrogen to Ti ratio to be near unity, but films deposited at lower temperature were nitrogen deficient. CrN film with (200) orientation and good stoichiometry was achieved at 600?C on Si(111) wafer but the film deposited at 500?C showed cubic CrN and hexagonal Cr{sub 2}N phases with smaller grain size and amorphous back ground in the x-ray diffraction pattern. An amorphous interface layer was not observed in the cubic CrN film on Si(111) deposited at 600?C. Nitride film of tungsten deposited at 600?C on Si(100) wafer was nitrogen deficient, contained both cubic W{sub 2}N and hexagonal WN phases with smaller grain size. Nitride films of tungsten deposited at 500?C were nonstoichiometric and contained cubic W{sub 2}N and unreacted W phases. There was no amorphous phase formed along the interface for the tungsten nitride film deposited at 600?C on the Si wafer. Thermal conductivity and interface thermal conductance of all the nitride films of Ti, Cr, and W were determined by transient thermoreflectance technique. The thermal conductivity of the films as function of deposition temperature, microstructure, nitrogen stoichiometry and amorphous interaction layer at the interface was determined. Tungsten nitride film containing both cubic and hexagonal phases was found to exhibit much higher thermal conductivity and interface thermal conductance. The amorphous interface layer was found to reduce effective thermal conductivity of TiN and CrN films.

  6. Efficient H{sub 2} production over Au/graphene/TiO{sub 2} induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2}

    SciTech Connect (OSTI)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-11-15

    Highlights: Both surface plasmon resonance and band-gap excitation were used for H{sub 2} production. Au/Gr/TiO{sub 2} composite photocatalyst was synthesized. Au/Gr/TiO{sub 2} exhibited enhancement of light absorption and charge separation. H{sub 2} production rate of Au/Gr/TiO{sub 2} was about 2 times as high as that of Au/TiO{sub 2}. - Abstract: H{sub 2} production over Au/Gr/TiO{sub 2} composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2} using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO{sub 2} with band-gap excitation. Surface photovoltage and UVvis absorption measurements revealed that compared with Au/TiO{sub 2}, Au/Gr/TiO{sub 2} displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H{sub 2} production rate of Au/Gr/TiO{sub 2} composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO{sub 2}. This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy.

  7. Microstructure and tribological performance of nanocomposite Ti-Si-C-N coatings deposited using hexamethyldisilazane precursor

    SciTech Connect (OSTI)

    Wei Ronghua; Rincon, Christopher; Langa, Edward; Yang Qi

    2010-09-15

    Thick nanocomposite Ti-Si-C-N coatings (20-30 {mu}m) were deposited on Ti-6Al-4V substrate by magnetron sputtering of Ti in a gas mixture of Ar, N{sub 2}, and hexamethyldisilazane (HMDSN) under various deposition conditions. Microstructure and composition of the coatings were studied using scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray spectroscopy, while the mechanical and tribological properties of these coatings were studied using Rc indentation, and micro- and nanoindentations, solid particle erosion testing, and ball-on-disk wear testing. It has been observed that the Si concentration of these coatings is varied from 0% (TiN) to 15% (Ti-Si-C-N), while the structure of these coatings is similar to the nanocomposite Ti-Si-N coatings and consists of nanocrystalline B1 structured Ti(C,N) in an amorphous matrix of SiC{sub x}N{sub y} with the grain size of 5->100 nm, depending on the coating preparation process. These coatings exhibit excellent adhesion when subjected to Rc indentation tests. The microhardness of these coatings varies from 1200 to 3400 HV25, while the nanohardness varies from 10 to 26 GPa. Both the microhardness and nanohardness are slightly lower than those of similar coatings prepared using trimethylsilane. However, the erosion test using a microsand erosion tester at both 30 deg. and 90 deg. incident angles shows that these coatings have very high erosion resistance and up to a few hundred times of improvement has been observed. These coatings also exhibit very high resistance to sliding wear with a low coefficient of friction of about 0.2 in dry sliding. There are a few advantages of using the HMDSN precursor to prepare the Ti-Si-C-N coatings over conventional magnetron sputtered deposition of Ti-Si-N coatings including composition uniformity, precursor handling safety, and high deposition rate. The coatings can be applied to protect gas turbine compressor blades from solid particle erosion and steam turbine blades

  8. Deformation and fracture behavior of composite structured Ti-Nb-Al-Co(-Ni) alloys

    SciTech Connect (OSTI)

    Okulov, I. V. Marr, T.; Schultz, L.; Eckert, J.; Khn, U.; Freudenberger, J.; Oertel, C.-G.; Skrotzki, W.

    2014-02-17

    Tensile ductility of the Ti-based composites, which consist of a ?-Ti phase surrounded by ultrafine structured intermetallics, is tunable through the control of intermetallics. The two Ti-based alloys studied exhibit similar compressive yield strength (about 1000?MPa) and strain (about 35%40%) but show a distinct difference in their tensile plasticity. The alloy Ti{sub 71.8}Nb{sub 14.1}Ni{sub 7.4}Al{sub 6.7} fractures at the yield stress while the alloy Ti{sub 71.8}Nb{sub 14.1}Co{sub 7.4}Al{sub 6.7} exhibits about 4.5% of tensile plastic deformation. To clarify the effect of microstructure on the deformation behavior of these alloys, tensile tests were carried out in the scanning electron microscope. It is shown that the distribution as well as the type of intermetallics affects the tensile ductility of the alloys.

  9. Coreshell TiO? microsphere with enhanced photocatalytic activity and improved lithium storage

    SciTech Connect (OSTI)

    Guo, Hong; Tian, Dongxue; Liu, Lixiang; Wang, Yapeng; Guo, Yuan; Yang, Xiangjun

    2013-05-01

    Inorganic hollow coreshell spheres have attracted considerable interest due to their singular properties and wide range of potential applications. Herein a novel facile generic strategy of combining template assisted and solvothermal alcoholysis is employed to prepare corevoidshell anatase TiO? nanoparticle aggregates with an excellent photocatalytic activity, and enhanced lithium storage in large quantities. Amorphous carbon can be loaded on the TiO? nanoparticles uniformly under a suitably formulated ethanol/water system in the solvothermal alcoholysis process, and the subsequent calcination results of the formation of coreshellshell anatase TiO? nanoparticle aggregates. The intrinsic corevoidshell nature as well as high porosity of the unique nanostructures contributes greatly to the superior photocatalytic activity and improved performance as anode materials for lithium ion batteries. - Graphical abstract: A novel strategy of combining template assisted and solvothermal alcoholysis is employed to prepare unique corevoidshell anatase TiO? nanoparticle aggregates with the superior photocatalytic activity and improved lithium storage. Highlights: TiO? mesospheres are synthesized by solvothermal alcoholysis. It is corevoidshell structure and the thickness of shell is estimated to 80 nm. It exhibits a remarkable photocatalytic activity and improved lithium storage.

  10. Significant increase of Curie temperature in nano-scale BaTiO{sub 3}

    SciTech Connect (OSTI)

    Li, Yueliang; Liao, Zhenyu; Fang, Fang; Zhu, Jing; Wang, Xiaohui; Li, Longtu

    2014-11-03

    The low Curie temperature (T{sub c}?=?130?C) of bulk BaTiO{sub 3} greatly limits its applications. In this work, the phase structures of BaTiO{sub 3} nanoparticles with sizes ranging from 2.5?nm to 10?nm were studied at various temperatures by using aberration-corrected transmission electron microscopy (TEM) equipped with an in-situ heating holder. The results implied that each BaTiO{sub 3} nanoparticle was composed of different phases, and the ferroelectric ones were observed in the shells due to the complicated surface structure. The ferroelectric phases in BaTiO{sub 3} nanoparticles remained at 600?C, suggesting a significant increase of T{sub c}. Based on the in-situ TEM results and the data reported by others, temperature-size phase diagrams for BaTiO{sub 3} particles and ceramics were proposed, showing that the phase transition became diffused and the T{sub c} obviously increased with decreasing size. The present work sheds light on the design and fabrication of advanced devices for high temperature applications.

  11. First-principles study on negative thermal expansion of PbTiO{sub 3}

    SciTech Connect (OSTI)

    Wang, Fangfang; Chen, Jun; Xing, Xianran; Xie, Ying; Fu, Honggang

    2013-11-25

    It is well known that perovskite-type PbTiO{sub 3} behaves negative thermal expansion in a wide temperature range from room temperature to Curie temperature (763?K). The present study reports the first-principles study of the anisotropic thermal expansion of PbTiO{sub 3}, in the framework of the density-functional theory and the density-functional perturbation theory. The curve of temperature dependence of the unit cell volume is presented from 20 to 520?K through the calculation of the minimum of total free energy at each temperature point. The negative thermal expansion of PbTiO{sub 3} is calculated without empirical parameters. Furthermore, the distinctive thermodynamic act of PbTiO{sub 3} from expanding to contracting at tetragonal phase is reproduced. The ab-initio calculations reveal that this unique appearance depends on the phonon vibration. The dynamical contributions of various atoms are also calculated to account for the disparate role of Pb-O and Ti-O bond.

  12. Femtosecond laser-induced periodic surface structure on the Ti-based nanolayered thin films

    SciTech Connect (OSTI)

    Petrovi?, Suzana M.; Gakovi?, B.; Peruko, D.; Stratakis, E.; Department of Materials Science and Technology, University of Crete, 710 03 Heraklion, Crete ; Bogdanovi?-Radovi?, I.; ?ekada, M.; Fotakis, C.; Department of Physics, University of Crete, 714 09 Heraklion, Crete ; Jelenkovi?, B.

    2013-12-21

    Laser-induced periodic surface structures (LIPSSs) and chemical composition changes of Ti-based nanolayered thin films (Al/Ti, Ni/Ti) after femtosecond (fs) laser pulses action were studied. Irradiation is performed using linearly polarized Ti:Sapphire fs laser pulses of 40 fs pulse duration and 800 nm wavelength. The low spatial frequency LIPSS (LSFL), oriented perpendicular to the laser polarization with periods slightly lower than the irradiation wavelength, was typically formed at elevated laser fluences. On the contrary, high spatial frequency LIPSS (HSFL) with uniform period of 155 nm, parallel to the laser light polarization, appeared at low laser fluences, as well as in the wings of the Gaussian laser beam distribution for higher used fluence. LSFL formation was associated with the material ablation process and accompanied by the intense formation of nanoparticles, especially in the Ni/Ti system. The composition changes at the surface of both multilayer systems in the LSFL area indicated the intermixing between layers and the substrate. Concentration and distribution of all constitutive elements in the irradiated area with formed HSFLs were almost unchanged.

  13. A new phase in rapidly solidified Ti[sub 3]Al-based alloys

    SciTech Connect (OSTI)

    Xu Rui; Xu Daming; Li Qingchun . Dept. of Materials Science and Engineering); Li Dong; Cui Yuyou; Hu Zhuangqi . State Key Lab. for RSA)

    1995-01-15

    Rapid solidification processing has been developed to improve the properties of alloys through refining microstructures, disordering and forming metastable phases. The as-melt spun Ti[sub 3]Al-based alloy with Nb additions above 5-at%, which consist of [alpha][sub 2] and [beta][sub 0] phases in a normal condition, exhibited as single [beta][sub 0] structure. Jackson et al have carried out a comparative study of I/M and RS Ti[sub 3]Al-1 Zr(at%) alloy. Their study revealed that considerable refinement of grains and anti-phase domains was achieved in the rapidly solidified material prepared by the pendant drop melt extraction process (PDME). It is suggested that rapid solidification processing can reduce the ordering of the Ti[sub 3]Al-based alloy. In the past years, it was found that the Ti[sub 3]Al-based alloy with alloying additions (mainly Nb) has been studied extensively, and some new phases such as T and O have been observed in the alloys, but less attention has been given to alloys with low Nb additions. The RS Ti[sub 3]Al-base alloys with Nb below 5-at% have been investigated systematically and a new metastable phase, ordering martensite [alpha][double prime][sub 0] (orthogonal), has been observed in these alloys.

  14. Investigation of the phase equilibrium of alloys of the ternary system Ti-Al-Nb

    SciTech Connect (OSTI)

    Nartova, T.T.; Sopochkin, G.G.

    1987-09-09

    This investigation of the constitution diagram of the ternary system titanium-aluminum-niobium is limited to the specific system Ti-Ti3A1-Nb in order to establish the regions of the alpha and beta solid solutions of titanium, the solid solutions based on aluminide Ti3A1, and the phases conjugated with them. The constitution diagram of the systems Ti-A1 and Ti-Nb obtained from the data were used as the basis for constructing the constitution diagram of the ternary system. The methods of microstructural, thermal and X ray phase analysis were used in the study. The X ray pictures were taken in copper emission from powders that had been preliminarily annealed in a vacuum at 600 for 30 min. Iodic titanium, aluminum brand AV-000 and fillet niobium were used as the source materials. The alloys were remelted five times in an electric-arc furnace with a nonconsumable tungsten electrode in an argon atmosphere, and then by crucibleless melting in the suspended state. The constancy of the chemical composition of the alloys was monitored by their weight after smelting in an electric arc furnace.

  15. Crystallization study of amorphous sputtered NiTi bi-layer thin film

    SciTech Connect (OSTI)

    Mohri, Maryam; Nili-Ahmadabadi, Mahmoud; Chakravadhanula, Venkata Sai Kiran

    2015-05-15

    The crystallization of Ni-rich/NiTiCu bi-layer thin film deposited by magnetron sputtering from two separate alloy targets was investigated. To achieve the shape memory effect, the NiTi thin films deposited at room temperature with amorphous structure were annealed at 773 K for 15, 30, and 60 min for crystallization. Characterization of the films was carried out by differential scanning calorimetry to indicate the crystallization temperature, grazing incidence X-ray diffraction to identify the phase structures, atomic force microscopy to evaluate surface morphology, scanning transmission electron microscopy to study the cross section of the thin films. The results show that the structure of the annealed thin films strongly depends on the temperature and time of the annealing. Crystalline grains nucleated first at the surface and then grew inward to form columnar grains. Furthermore, the crystallization behavior was markedly affected by composition variations. - Highlights: • A developed bi-layer Ni45TiCu5/Ni50.8Ti was deposited on Si substrate and crystallized. • During crystallization, The Ni{sub 45}TiCu{sub 5} layer is thermally less stable than the Ni-rich layer. • The activation energy is 302 and 464 kJ/mol for Cu-rich and Ni-rich layer in bi-layer, respectively.

  16. Influence of rare earth doping on thermoelectric properties of SrTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Liu, J. Wang, C. L.; Li, Y.; Su, W. B.; Zhu, Y. H.; Li, J. C.; Mei, L. M.

    2013-12-14

    Thermoelectric properties of SrTiO{sub 3} ceramics, doped with different rare earth elements, were investigated in this work. It's found that the ionic radius of doping elements plays an important role on thermoelectric properties: SrTiO{sub 3} ceramics doped with large rare earth ions (such as La, Nd, and Sm) exhibit large power factors, and those doped with small ions (such as Gd, Dy, Er, and Y) exhibit low thermal conductivities. Therefore, a simple approach for enhancing the thermoelectric performance of SrTiO{sub 3} ceramics is proposed: mainly doped with large ions to obtain a large power factor and, simultaneously, slightly co-doped with small ions to obtain a low thermal conductivity. Based on this rule, Sr{sub 0.8}La{sub 0.18}Yb{sub 0.02}TiO{sub 3} ceramics were prepared, whose ZT value at 1 023 K reaches 0.31, increasing by a factor of 19% compared with the single-doped counterpart Sr{sub 0.8}La{sub 0.2}TiO{sub 3} (ZT = 0.26)

  17. Localized states induced by an oxygen vacancy in rutile TiO{sub 2}

    SciTech Connect (OSTI)

    Lin, Chungwei; Shin, Donghan; Demkov, Alexander A.

    2015-06-14

    Using density functional theory and model Hamiltonian analysis, we investigate the localized states induced by an oxygen vacancy in rutile TiO{sub 2}. We identify two classes of localized states—the hybrid and the polaron. The hybrid state is caused by the orbital overlap between three Ti atoms next to a vacancy and is mainly derived from the Ti e{sub g} orbitals. The polaron state is caused by the local lattice distortion and is mainly composed of one particular t{sub 2g} orbital from a single Ti atom. The first principles calculation shows that the polaron state is energetically favored, and the tight-binding analysis reveals the underlying connection between the bulk band structure and the orbital character of the polaron. The magnetic coupling between two nearby polaron states is found to be ferromagnetic. Using this picture, we analyze the results of recent theoretical calculations and experiments and discuss the connection to vacancies in SrTiO{sub 3}.

  18. Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

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

    Chen, Mingyang; Straatsma, Tjerk P.; Dixon, David A.

    2015-10-20

    In the low energy structures of the (TiO2)n(H2O)m (n ≤ 4, m ≤ 2n) and (TiO2)8(H2O)m (m = 3, 7, 8) clusters were predicted using a global geometry optimization approach, with a number of new lowest energy isomers being found. Water can molecularly or dissociatively adsorb on pure and hydrated TiO2 clusters. Dissociative adsorption is the dominant reaction for the first two H2O adsorption reactions for n = 1, 2, and 4, for the first three H2O adsorption reactions for n = 3, and for the first four H2O adsorption reactions for n = 8. As more H2O’s are addedmore » to the hydrated (TiO2)n cluster, dissociative adsorption becomes less exothermic as all the Ti centers become 4-coordinate. Furthermore two types of bonds can be formed between the molecularly adsorbed water and TiO2 clusters: a Lewis acid–base Ti–O(H2) bond or an O···H hydrogen bond. The coupled cluster CCSD(T) results show that at 0 K the H2O adsorption energy at a 4-coordinate Ti center is ~15 kcal/mol for the Lewis acid–base molecular adsorption and ~7 kcal/mol for the H-bond molecular adsorption, in comparison to that of 8–10 kcal/mol for the dissociative adsorption. The cluster size and geometry independent dehydration reaction energy, ED, for the general reaction 2(-TiOH) → -TiOTi– + H2O at 4-coordinate Ti centers was estimated from the aggregation reaction of nTi(OH)4 to form the monocyclic ring cluster (TiO3H2)n + nH2O. ED is estimated to be -8 kcal/mol, showing that intramolecular and intermolecular dehydration reactions are intrinsically thermodynamically allowed for the hydrated (TiO2)n clusters with all of the Ti centers 4-coordinate, which can be hindered by cluster geometry changes caused by such processes. Finally by bending force constants for the TiOTi and OTiO bonds are determined to be 7.4 and 56.0 kcal/(mol·rad2). Infrared vibrational spectra were calculated using density functional theory, and the new bands appearing upon water adsorption were assigned.« less

  19. Hydrothermal crystallization of Na{sub 2}Ti{sub 6}O{sub 13}, Na{sub 2}Ti{sub 3}O{sub 7}, and Na{sub 16}Ti{sub 10}O{sub 28} in the NaOH-TiO{sub 2}-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa: The structural mechanism of self-assembly of titanates from suprapolyhedral clusters

    SciTech Connect (OSTI)

    Hyushin, G. D.

    2006-07-15

    An increase in the NaOH concentration in the NaOH-TiO{sub 2} (rutile)-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa leads to the crystallization R-TiO{sub 2} + Na{sub 2}Ti{sub 6}O{sub 13} {sup {yields}} Na{sub 2}Ti{sub 3}O{sub 7} {sup {yields}} Na{sub 16}Ti{sub 10}O{sub 28}. Crystals of the Na{sub 2}Ti{sub 6}O{sub 13} titanate (space group C2/m) have the three-dimensional framework structure Ti{sub 6}O{sub 13}. The structure of the Na{sub 2}Ti{sub 3}O{sub 7} titanate (space group P2{sub 1}/m) contains the two-dimensional layers Ti{sub 3}O{sub 7}. The structure of the Na{sub 16}Ti{sub 10}O{sub 28} titanate (space group P-1) is composed of the isolated ten-polyhedron cluster precursors Ti{sub 10}O{sub 28}. In all the structures, the titanium atoms have an octahedral coordination (MTiO{sub 6}). The matrix self-assembly of the Na{sub 2}Ti{sub 6}O{sub 13} and Na{sub 2}Ti{sub 3}O{sub 7} (Na{sub 4}Ti{sub 6}O{sub 14}) crystal structures from Na{sub 4}M{sub 12} invariant precursors is modeled. These precursors are clusters consisting of twelve M polyhedra linked through the edges. It is demonstrated that the structurally rigid precursors Na{sub 4}M{sub 12} control all processes of the subsequent evolution of the crystal-forming titanate clusters. The specific features of the self-assembly of the Na{sub 2}Ti{sub 3}O{sub 7} structure that result from the additional incorporation of twice the number of sodium atoms into the composition of the high-level clusters are considered.

  20. Study of new states in visible light active W, N co-doped TiO{sub 2} photo catalyst

    SciTech Connect (OSTI)

    Sajjad, Ahmed Khan Leghari; Shamaila, Sajjad; Zhang, Jinlong

    2012-11-15

    Highlights: ? Visible light efficient W, N co-doped TiO{sub 2} photo catalysts are prepared by solgel. ? Oxygen vacancies are detected in the form of new linkages as N-Ti-O, N-W-O, Ti-O-N and W-O-N. ? W, N co-doped titania has new energy states which narrows the band gap effectively. ? Oxygen vacancies are proved to be the cause for high photo catalytic activity. ? W and N co-doping plays the major role to make the composite thermally stable. -- Abstract: The visible light efficient W, N co-doped TiO{sub 2} photo catalysts are prepared by solgel method. New linkages of N, W and O are formed as N-Ti-O, N-W-O, Ti-O-N and W-O-N. Electron paramagnetic resonance illustrates the presence of oxygen vacancies in W, N co-doped TiO{sub 2} acting as trapping agencies for electrons to produce active species. X-ray photoelectron spectroscopy confirms the presence of new energy states. New linkages and oxygen vacancies are proved to be the main cause for the improved photo catalytic performances. W, N co-doped TiO{sub 2} has new energy states which narrow the band gap effectively. W, N co-doped TiO{sub 2} is thermally stable and retains its anatase phase up to 900 C. 4.5% W, N co-doped TiO{sub 2} showed superior activity for the degradation of Rhodamine B and 2,4-dichlorophenol as compared to pure titania, Degussa P-25, traditional N-doped TiO{sub 2} and pure WO{sub 3}.

  1. Dielectric and photocatalytic properties of sulfur doped TiO{sub 2} nanoparticles prepared by ball milling

    SciTech Connect (OSTI)

    Jalalah, Mohammed; Faisal, M.; Bouzid, Houcine; Ismail, Adel A.; Al-Sayari, Saleh A.

    2013-09-01

    Graphical abstract: - Highlights: Designing of visible light responsive photocatalyst utilizing ball milling. Sulphur used as dopant in commercial TiO{sub 2} P25 at different atomic percentage. S doping resulted in an intense increase in absorption in the visible light region. Newly design photocatalyst exhibited excellent photocatalytic performance. 0.11 at.% S-doped TiO{sub 2} shows 3-times higher activity than that of TiO{sub 2} P25. - Abstract: Sulfur (S) doped commercial TiO{sub 2} P-25 has been achieved by changing the amount of thiourea using ball milling technique. The results of XRD clearly reveal biphasial anatase and rutile mixtures for all prepared samples and doping of S does not change the morphology of the TiO{sub 2}. The optical absorption edge of S-doped TiO{sub 2} was red shifted with indirect bandgap energy of 2.8 eV. The dielectric studies confirm that the dielectric constant of TiO{sub 2} increases after doping, however it becomes more conductive. Newly designed S-doped TiO{sub 2} photocatalysts exhibited excellent photocatalytic performance for the degradation of methylene blue (MB) under visible light. The overall photocatalytic activity of 0.11 at.% S-doped TiO{sub 2} was significantly 3-times higher than that of commercial TiO{sub 2} P-25 and complete degradation of MB has taken place after 90 min of irradiation under visible light while only 35% dye degraded when the reaction has been carried out in the presence of undoped TiO{sub 2}.

  2. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, X.; Peker, A.; Johnson, W.L.

    1997-04-08

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10{sup 3} K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM{sub 1{minus}x}Ti{sub x}){sub a} Cu{sub b} (Ni{sub 1{minus}y}Co{sub y}){sub c} wherein x is from 0.1 to 0.3, y{center_dot}c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b. 2 figs.

  3. Correlating hydrogen oxidation and evolution activity on platinum at different pH with measured hydrogen binding energy

    SciTech Connect (OSTI)

    Sheng, WC; Zhuang, ZB; Gao, MR; Zheng, J; Chen, JGG; Yan, YS

    2015-01-08

    The hydrogen oxidation/evolution reactions are two of the most fundamental reactions in distributed renewable electrochemical energy conversion and storage systems. The identification of the reaction descriptor is therefore of critical importance for the rational catalyst design and development. Here we report the correlation between hydrogen oxidation/evolution activity and experimentally measured hydrogen binding energy for polycrystalline platinum examined in several buffer solutions in a wide range of electrolyte pH from 0 to 13. The hydrogen oxidation/evolution activity obtained using the rotating disk electrode method is found to decrease with the pH, while the hydrogen binding energy, obtained from cyclic voltammograms, linearly increases with the pH. Correlating the hydrogen oxidation/evolution activity to the hydrogen binding energy renders a monotonic decreasing hydrogen oxidation/evolution activity with the hydrogen binding energy, strongly supporting the hypothesis that hydrogen binding energy is the sole reaction descriptor for the hydrogen oxidation/evolution activity on monometallic platinum.

  4. Enhanced photocatalytic activity of TiO{sub 2} nanobarbed fibers treated with atmospheric pressure plasma using O{sub 2} gas

    SciTech Connect (OSTI)

    Lee, Hyun-Uk; Ahn, Kyun; Jeong, Se-Young; Cho, Chae-Ryong; Kim, Jong-Pil; Bae, Jong-Seong; Kim, Hyun-Gyu; Kwon, Se-Hun; Lee, Hyung Woo

    2010-11-29

    TiO{sub 2} nanobarbed fibers (NBFs) were prepared by growing rutile TiO{sub 2} nanorods on anatase TiO{sub 2} nanofibers via electrospinning and hydrothermal reaction processes. There was a large increase in the photocatalytic activity of O{sub 2}-plasma-treated (OP)-TiO{sub 2} NBFs relative to that of the TiO{sub 2} NBFs; this is due to the hydroxylation of the surface of the TiO{sub 2} NBFs by OP treatment. The repeatability of the photocatalytic activity of the OP-TiO{sub 2} NBFs was found to be high and the decolorization rate after ten cycles was 88.3% of the initial value. These results indicate that OP-TiO{sub 2} NBFs have great potential for use as a photocatalyst.

  5. Evolution of structure in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3} single...

    Office of Scientific and Technical Information (OSTI)

    Evolution of structure in Nasub 0.5Bisub 0.5TiOsub 3 single crystals with BaTiOsub 3 Citation Details In-Document Search Title: Evolution of structure in Nasub 0.5Bisub ...

  6. Ab initio study of structural stability and electronic properties of Ti{sub 1-x}Mg{sub x}Cr{sub 2} and TiMg{sub x}Cr{sub 2-x} laves phase

    SciTech Connect (OSTI)

    Sari, A. Merad, G.

    2015-03-30

    The structural stability and electronic properties of TiMgCr{sub 2} laves phase have been calculated and compared. It is found that Mg prefer to substitutes titanium than chromium. The values of entalpies of formation show that Ti{sub 1-x}Mg{sub x}Cr{sub 2} may exist for only one concentration x=0.125 and the more favorable alloy is Ti{sub 0.875}Mg{sub 0.125}Cr{sub 2}. For TiCr{sub 2}, the optimized structural parameters were in good agreement with experimental values, while for TiMgCr{sub 2}, there is not experimental data. The electronic densities of states (DOS) are given and the nature of bonds are also discussed.

  7. Thermoelectricity of Nanocomposites Containing TiO2CoO Coaxial Nanocables

    SciTech Connect (OSTI)

    Su, L.; Zhang, L.; Gana, Y.X.

    2011-04-01

    TiO{sub 2}-CoO coaxial nanocables were deposited into anodic aluminum oxide (AAO) nanoporous templates to form nanocomposite materials. Electron microscopic analysis was conducted to reveal their structures. Seebeck coefficients of the composites were measured. The highest absolute value of Seebeck coefficient is 393 {micro}V K{sup -1} for the TiO{sub 2} nanotube-filled AAO. The TiO{sub 2}-CoO coaxial nanocable-filled AAO has a lower absolute value of 300 {micro}V K{sup -1}. Both composites showed n-type behavior. The effect of Ag nanoparticles addition on the thermoelectric behavior was also examined.

  8. Molecular beam epitaxy of SrTiO{sub 3} with a growth window

    SciTech Connect (OSTI)

    Jalan, Bharat; Moetakef, Pouya; Stemmer, Susanne

    2009-07-20

    Many complex oxides with only nonvolatile constituents do not have a wide growth window in conventional molecular beam epitaxy (MBE) approaches, which makes it difficult to obtain stoichiometric films. Here it is shown that a growth window in which the stoichiometry is self-regulating can be achieved for SrTiO{sub 3} films by using a hybrid MBE approach that uses a volatile metal-organic source for Ti, titanium tetra isopropoxide (TTIP). The growth window widens and shifts to higher TTIP/Sr flux ratios with increasing temperature, showing that it is related to the desorption of the volatile TTIP. We demonstrate stoichiometric, highly perfect, insulating SrTiO{sub 3} films. The approach can be adapted for the growth of other complex oxides that previously were believed to have no wide MBE growth window.

  9. In situ nanoindentation study of plastic Co-deformation in Al-TiN nanocomposites

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

    Li, N.; Wang, H.; Misra, A.; Wang, J.

    2014-10-16

    We performed in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm, 5 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with easy initiation of cracks in the TiN layers. At 5 nm and below, cracking in TiN was suppressed and post mortem measurements indicated a reduction in layer thickness in both layers. Our results demonstrate the profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers.

  10. Microstructural evaluation of NiTi-based films deposited by magnetron sputtering

    SciTech Connect (OSTI)

    Crăciunescu, Corneliu M. Mitelea, Ion Budău, Victor; Ercuţa, Aurel

    2014-11-24

    Shape memory alloy films belonging to the NiTi-based systems were deposited on heated and unheated substrates, by magnetron sputtering in a custom made system, and their structure and composition was analyzed using electron microscopy. Several substrates were used for the depositions: glass, Cu-Zn-Al, Cu-Al-Ni and Ti-NiCu shape memory alloy ribbons and kapton. The composition of the Ti-Ni-Cu films showed limited differences, compared to the one of the target and the microstructure for the DC magnetron sputtering revealed crystallized structure with features determined on peel off samples from a Si wafer. Both inter and transcrystalline fractures were observed and related to the interfacial stress developed on cooling from deposition temperature.

  11. Dielectric response of metal/SrTiO{sub 3}/two-dimensional electron liquid heterostructures

    SciTech Connect (OSTI)

    Mikheev, Evgeny; Raghavan, Santosh; Stemmer, Susanne

    2015-08-17

    Maximizing the effective dielectric constant of the gate dielectric stack is important for electrostatically controlling high carrier densities inherent to strongly correlated materials. SrTiO{sub 3} is uniquely suited for this purpose, given its extremely high dielectric constant, which can reach 10{sup 4}. Here, we present a systematic study of the thickness dependence of the dielectric response and leakage of SrTiO{sub 3} that is incorporated into a vertical structure on a high-carrier-density two-dimensional electron liquid (2DEL). A simple model can be used to interpret the data. The results show a need for improved interface control in the design of metal/SrTiO{sub 3}/2DEL devices.

  12. Microstructure evolution in solution treated Ti15Mo alloy processed by high pressure torsion

    SciTech Connect (OSTI)

    Jane?ek, Milo; ?ek, Jakub; Strsk, Josef; Vclavov, Kristna; Hruka, Petr; Polyakova, Veronika; Gatina, Svetlana; Semenova, Irina

    2014-12-15

    Microstructure evolution and mechanical properties of ultra-fine grained Ti15Mo alloy processed by high pressure torsion were investigated. High pressure torsion straining resulted in strong grain refinement as-observed by transmission electron microscopy. Microhardness and light microscopy showed two distinct regions (i) a central region with radial material flow and low microhardness (340 HV) and (ii) a peripheral region with rotational material flow and high microhardness (430 HV). Positron annihilation spectroscopy showed that the only detectable defects in the material are dislocations, whose density increases with the radial distance and the number of high pressure torsion revolutions. The local chemical environment around defects does not differ significantly from the average composition. - Highlights: Beta-Ti alloy Ti15Mo was processed by high pressure torsion (HPT). Lateral inhomogeneity of the microstructure and microhardness was found. Dislocations are the only lattice defects detectable by positron annihilation. Molybdenum is not preferentially segregated along dislocation cores.

  13. Industrial Application of Thin Films (TiAl)N Deposited on Thermo-Wells

    SciTech Connect (OSTI)

    Velez, G.; Jaramillo, S.; Arango, Y. C.; Devia, D.; Quintero, J.; Devia, A.

    2006-12-04

    The thermo-well is formed by two layers, one layer is a ceramic and the other layer is anviloy (comprised tungsten). They are used to coat the thermocouple in the control temperature system during the Aluminum-Silicon alloy melting process. After two weeks of continuous work at 750 deg. C of temperature (the alloy temperature), a high wear in this material is observed, affecting the ceramic. (TiAl)N thin films are deposited directly on the anviloy substrates by the PAPVD (Plasma Assisted Physics Vapor Deposition) in arc pulsed technique, using a TiAl target in a mono-vaporizer system, composed by a reactor and a power controlled system. Two opposite electrodes are placed into the reactor and discharge is produced by a controlled power system. The XRD (X-ray diffraction) patterns show the presence of the (TiAl)N thin film peaks. The morphological characteristics are studied by the scanning probe microscopy (SPM)

  14. Diffusion anisotropy of poor metal solute atoms in hcp-Ti

    SciTech Connect (OSTI)

    Scotti, Lucia Mottura, Alessandro

    2015-05-28

    Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a result of the bond angle distortion.

  15. Tuning thermal conductivity in homoepitaxial SrTiO{sub 3} films via defects

    SciTech Connect (OSTI)

    Brooks, Charles M.; Wilson, Richard B.; Cahill, David G.; Schäfer, Anna; Schubert, Jürgen; Mundy, Julia A.; Holtz, Megan E.; Muller, David A.; Schlom, Darrell G.

    2015-08-03

    We demonstrate the ability to tune the thermal conductivity of homoepitaxial SrTiO{sub 3} films deposited by reactive molecular-beam epitaxy by varying growth temperature, oxidation environment, and cation stoichiometry. Both point defects and planar defects decrease the longitudinal thermal conductivity (k{sub 33}), with the greatest decrease in films of the same composition observed for films containing planar defects oriented perpendicular to the direction of heat flow. The longitudinal thermal conductivity can be modified by as much as 80%—from 11.5 W m{sup −1}K{sup −1} for stoichiometric homoepitaxial SrTiO{sub 3} to 2 W m{sup −1}K{sup −1} for strontium-rich homoepitaxial Sr{sub 1+δ}TiO{sub x} films—by incorporating (SrO){sub 2} Ruddlesden-Popper planar defects.

  16. Surface roughness and interface width scaling of magnetron sputter deposited Ni/Ti multilayers

    SciTech Connect (OSTI)

    Maidul Haque, S.; Biswas, A.; Tokas, R. B.; Bhattacharyya, D.; Sahoo, N. K.; Bhattacharya, Debarati

    2013-09-14

    Using an indigenously built r.f. magnetron sputtering system, several single layer Ti and Ni films have been deposited at varying deposition conditions. All the samples have been characterized by Grazing Incidence X-ray Reflectivity (GIXR) and Atomic Force Microscopy to estimate their thickness, density, and roughness and a power law dependence of the surface roughness on the film thickness has been established. Subsequently, at optimized deposition condition of Ti and Ni, four Ni/Ti multilayers of 11-layer, 21-layer, 31-layer, and 51-layer having different bilayer thickness have been deposited. The multilayer samples have been characterized by GIXR and neutron reflectivity measurements and the experimental data have been fitted assuming an appropriate sample structure. A power law correlation between the interface width and bilayer thickness has been observed for the multilayer samples, which was explained in the light of alternate roughening/smoothening of multilayers and assuming that at the interface the growth restarts every time.

  17. Process of making titanium carbide (TiC) nano-fibrous felts

    SciTech Connect (OSTI)

    Fong, Hao; Zhang, Lifeng; Zhao, Yong; Zhu, Zhengtao

    2015-01-13

    A method of synthesizing mechanically resilient titanium carbide (TiC) nanofibrous felts comprising continuous nanofibers or nano-ribbons with TiC crystallites embedded in carbon matrix, comprising: (a) electrospinning a spin dope for making precursor nanofibers with diameters less than 0.5 J.Lm; (b) overlaying the nanofibers to produce a nanofibrous mat (felt); and then (c) heating the nano-felts first at a low temperature, and then at a high temperature for making electrospun continuous nanofibers or nano-ribbons with TiC crystallites embedded in carbon matrix; and (d) chlorinating the above electrospun nano-felts at an elevated temperature to remove titanium for producing carbide derived carbon (CDC) nano-fibrous felt with high specific surface areas.

  18. Structural and dielectric properties of CuO-doped SrTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Naidu, K. Chandra Babu Sarmash, T. Sofi; Maddaiah, M.; Reddy, V. Narasimha; Subbarao, T.

    2015-06-24

    Copper-doped SrTiO{sub 3} (ST) ceramic powders were processed by solid-state route diffusion (SRD) bulk preparation technique. We reported the effect of Cu{sup +2} ions on the dielectric response of ST and it established the substantial increase in dielectric constant (ε{sub r}) than undoped ST from 303K-673K and low loss (tanδ) for good dielectric applications. In respect of the electrical properties ac- activation energies were computed of range 0.089-0.319eV using lnσ Vs 1/T plots. The microstructure was examined with grain sizes 6-9µm of uniform distribution by field emission scanning electron microscope (FESEM). Some additional phases SrCu{sub 3}Ti{sub 4}O{sub 12} and TiO{sub 2} rutiles were detected by X-ray diffraction technique.

  19. Eutectic bonding of a Ti sputter coated, carbon aerogel wafer to a Ni foil

    SciTech Connect (OSTI)

    Jankowski, A.F.; Hayes, J.P.; Kanna, R.L.

    1994-06-01

    The formation of high energy density, storage devices is achievable using composite material systems. Alternate layering of carbon aerogel wafers and Ni foils with rnicroporous separators is a prospective composite for capacitor applications. An inherent problem exists to form a physical bond between Ni and the porous carbon wafer. The bonding process must be limited to temperatures less than 1000{degrees}C, at which point the aerogel begins to degrade. The advantage of a low temperature eutectic in the Ni-Ti alloy system solves this problem. Ti, a carbide former, is readily adherent as a sputter deposited thin film onto the carbon wafer. A vacuum bonding process is then used to join the Ni foil and Ti coating through eutectic phase formation. The parameters required for successfld bonding are described along with a structural characterization of the Ni foil-carbon aerogel wafer interface.

  20. Thermo-mechanical processing (TMP) of Ti-48Al-2Nb-2Cr based alloys

    SciTech Connect (OSTI)

    Fuchs, G.E.

    1995-02-01

    The effects of heat treatment and deformation processing on the microstructures and properties of {gamma}-TiAl based alloys produced by ingot metallurgy (I/M) and powder metallurgy (P/M) techniques were examined. The alloy selected for this work is the second generation {gamma}-TiAl based alloy -- Ti-48Al-2Nb-2Cr (at %). Homogenization of I/M samples was performed at a variety of temperatures, followed by hot working by isothermal forging. P/M samples were prepared from gas atomized powders, consolidated by both HIP and extrusion and some of the HIPed material was then hot worked by isothermal forging. The effects of processing, heat treatment and hot working on the microstructures and properties will be discussed.

  1. Splitting of magnetic dipole modes in anisotropic TiO2 micro-spheres

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

    Khromova, Irina; Kuzel, Petr; Brener, Igal; Reno, John L.; Chung Seu, U-Chan; Elissalde, Catherine; Maglione, Mario; Mounaix, Patrick; Mitrofanov, Oleg

    2016-06-27

    Monocrystalline titanium dioxide (TiO2) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO2 micro-resonators can be used to enhance the interplay of magnetic and electric dipolemore » resonances in the emerging THz all-dielectric metamaterial technology.« less

  2. Room-temperature ferroelectricity of SrTiO{sub 3} films modulated by cation concentration

    SciTech Connect (OSTI)

    Yang, Fang; Zhang, Qinghua; Yang, Zhenzhong; Gu, Junxing; Liang, Yan; Li, Wentao; Wang, Weihua; Jin, Kuijuan; Gu, Lin; Guo, Jiandong

    2015-08-24

    The room-temperature ferroelectricity of SrTiO{sub 3} is promising for oxide electronic devices controlled by multiple fields. An effective way to control the ferroelectricity is highly demanded. Here, we show that the off-centered antisite-like defects in SrTiO{sub 3} films epitaxially grown on Si (001) play the determinative role in the emergence of room-temperature ferroelectricity. The density of these defects changes with the film cation concentration sensitively, resulting in a varied coercive field of the ferroelectric behavior. Consequently, the room-temperature ferroelectricity of SrTiO{sub 3} films can be effectively modulated by tuning the temperature of metal sources during the molecular beam epitaxy growth. Such an easy and reliable modulation of the ferroelectricity enables the flexible engineering of multifunctional oxide electronic devices.

  3. C ion-implanted TiO{sub 2} thin film for photocatalytic applications

    SciTech Connect (OSTI)

    Impellizzeri, G. Scuderi, V.; Sanz, R.; Privitera, V.; Romano, L.; Napolitani, E.; Carles, R.

    2015-03-14

    Third-generation TiO{sub 2} photocatalysts were prepared by implantation of C{sup +} ions into 110 nm thick TiO{sub 2} films. An accurate structural investigation was performed by Rutherford backscattering spectrometry, secondary ion mass spectrometry, X-ray diffraction, Raman-luminescence spectroscopy, and UV/VIS optical characterization. The C doping locally modified the TiO{sub 2} pure films, lowering the band-gap energy from 3.3 eV to a value of 1.8 eV, making the material sensitive to visible light. The synthesized materials are photocatalytically active in the degradation of organic compounds in water under both UV and visible light irradiation, without the help of any additional thermal treatment. These results increase the understanding of the C-doped titanium dioxide, helpful for future environmental applications.

  4. Resistive switching phenomena in TiO{sub x} nanoparticle layers for memory applications

    SciTech Connect (OSTI)

    Goren, Emanuelle; Tsur, Yoed; Ungureanu, Mariana; Zazpe, Raul; Rozenberg, Marcelo; Hueso, Luis E.; Casanova, Flix; Stoliar, Pablo

    2014-10-06

    Electrical characteristics of a Co/ TiO{sub x}/Co resistive memory device, fabricated by two different methods, are reported. In addition to crystalline TiO{sub 2} layers fabricated via conventional atomic layer deposition (ALD), an alternative method has been examined, where TiO{sub x} nanoparticle layers were fabricated via sol-gel. The different devices have shown different hysteresis loops with a unique crossing point for the sol-gel devices. A simple qualitative model is introduced to describe the different current-voltage behaviours by suggesting only one active metal-oxide interface for the ALD devices and two active metal-oxide interfaces for the sol-gel devices. Furthermore, we show that the resistive switching behaviour could be easily tuned by proper interface engineering and that despite having a similar active material, different fabrication methods can lead to dissimilar resistive switching properties.

  5. Pulsed laser-induced oxygen deficiency at TiO{sub 2} surface: Anomalous structure and electrical transport properties

    SciTech Connect (OSTI)

    Nakajima, Tomohiko; Tsuchiya, Tetsuo; Kumagai, Toshiya

    2009-09-15

    We have studied pulsed laser-induced oxygen deficiencies at rutile TiO{sub 2} surfaces. The crystal surface was successfully reduced by excimer laser irradiation, and an oxygen-deficient TiO{sub 2-{delta}} layer with 160 nm thickness was formed by means of ArF laser irradiation at 140 mJ/cm{sup 2} for 2000 pulses. The TiO{sub 2-{delta}} layer fundamentally maintained a rutile structure, though this structure was distorted by many stacking faults caused by the large oxygen deficiency. The electrical resistivity of the obtained TiO{sub 2-{delta}} layer exhibited unconventional metallic behavior with hysteresis. A metal-insulator transition occurred at 42 K, and the electrical resistivity exceeded 10{sup 4} OMEGA cm below 42 K. This metal-insulator transition could be caused by bipolaronic ordering derived from Ti-Ti pairings that formed along the stacking faults. The constant magnetization behavior observed below 42 K is consistent with the bipolaronic scenario that has been observed previously for Ti{sub 4}O{sub 7}. These peculiar electrical properties are strongly linked to the oxygen-deficient crystal structure, which contains many stacking faults formed by instantaneous heating during excimer laser irradiation. - Graphical abstract: A pulsed laser-irradiated TiO{sub 2-{delta}} substrate showed an unconventional metallic phase, with hysteresis over a wide range of temperatures and a metal-insulator transition at 42 K.

  6. Enhancement of the photocatalytic property of TiO{sub 2} columnar nanostructured films by changing deposition angle

    SciTech Connect (OSTI)

    Li, Zhengcao Teng, Yi; Xing, Liping; Zhang, Na; Zhang, Zhengjun

    2014-02-01

    Highlights: • Isolated and inclined columnar TiO{sub 2} nanostructures were obtained by sputtering Ti, and subsequently annealing. • The film performed photocatalytic decolorization effectively under UV irradiation. • The photocatalytic efficiency increased with deposition angle, which results in a more porous micro structure of the films. - Abstract: Isolated and inclined columnar nanostructured TiO{sub 2} films were obtained by sputtering titanium with glancing angle deposition method and subsequently annealing in air. Compared with flat film, TiO{sub 2} film fabricated with this method has higher porosity; compared with TiO{sub 2} powder, it overcomes the obstacles of immobilization and recycling. The TiO{sub 2} photocatalysis was evaluated by the degradation of methyl orange under UV light. It was indicated that the photocatalytic performance increased with deposition angle, which changed the porosity of the films. The relationship between deposition angle (the angle between the target and substrate surface) and the TiO{sub 2} columnar inclination angle (the angle between TiO{sub 2} columnar and substrate normal) was discussed.

  7. Tunable synthesis of TiO{sub 2}/SrO core/shell nanowire arrays with enhanced photocatalytic activity

    SciTech Connect (OSTI)

    Wang, Wenqi; Yang, Jie; Gong, Yingpeng; Hong, Hanlie

    2013-01-15

    Graphical abstract: TiO{sub 2} nanowires with tunable SrO shell layer are easily fabricated. The core/shell structure can enhance the photocatalytic activity of TiO{sub 2} nanowires and restrict the recombination of the electrons/holes. Display Omitted Highlights: ? A facile method to fabricate TiO{sub 2}/SrO core-shell nanowire array is reported. ? The thickness of SrO shell layer can be tunable by adjusting the dipping time. ? TiO{sub 2}/SrO core/shell nanowires shows enhanced photocatalytic activity. -- Abstract: We report a simple method to fabricate well-aligned TiO{sub 2}/SrO core/shell nanowire arrays. The core/shell structure is confirmed to have crystalline TiO{sub 2} nanowires core and amorphous SrO shell layer. The shell is composed of SrO with tunable thickness. Photocatalytic activity measurement shows that TiO{sub 2}/SrO core/shell nanowire arrays outperform uncovered TiO{sub 2} nanowires. Such core/shell nanowire arrays have potential applications for photovoltaic devices and as high performance photocatalyst.

  8. Structural properties of the geometrically frustrated pyrochlore Tb2Ti2O7

    SciTech Connect (OSTI)

    Han, Sang-Wook; Gardner, Jason S.; Booth, Corwin H.

    2004-06-14

    Although materials that exhibit nearest-neighbor-only antiferromagnetic interactions and geometrical frustration theoretically should not magnetically order in the absence of disorder, few such systems have been observed experimentally. One such system appears to be the pyrochlore Tb{sub 2}Ti{sub 2}O{sub 7}. However, previous structural studies indicated that Tb{sub 2}Ti{sub 2}O{sub 7} is an imperfect pyrochlore. To clarify the situation, we performed neutron powder diffraction (NPD) and x-ray absorption fine structure (XAFS) measurements on samples that were prepared identically to those that show no magnetic order. The NPD measurements show that the long-range structure of Tb{sub 2}Ti{sub 2}O{sub 7} is well ordered with no structural transitions between 4.5 and 600 K. In particular, mean-squared displacements (u{sup 2}'s) for each site follow a Debye model with no offsets. No evidence for Tb/Ti site interchange was observed within an upper limit of 2%. Likewise, no excess or deficiency in the oxygen stoichiometry was observed, within an upper limit of 2% of the nominal pyrochlore value. Tb L{sub III} and Ti K-edge XAFS measurements from 20-300 K similarly indicate a well-ordered local structure. Other aspects of the structure are considered. We conclude that Tb{sub 2}Ti{sub 2}O{sub 7} has, within experimental error, an ideal, disorder-free pyrochlore lattice, thereby allowing the system to remain in a dynamic, frustrated spin state to the lowest observed temperatures.

  9. Ultrafast Multiphoton Pump-probe Photoemission Excitation Pathways in Rutile TiO2(110)

    SciTech Connect (OSTI)

    Argondizzo, Adam; Cui, Xuefeng; Wang, Cong; Sun, Huijuan; Shang, Honghui; Zhao, Jin; Petek, Hrvoje

    2015-04-27

    We investigate the spectroscopy and photoinduced electron dynamics within the conduction band of reduced rutile TiO2(110) surface by multiphoton photoemission (mPP) spectroscopy with wavelength tunable ultrafast (!20 fs) laser pulse excitation. Tuning the mPP photon excitation energy between 2.9 and 4.6 eV reveals a nearly degenerate pair of new unoccupied states located at 2.73 ± 0.05 and 2.85 ± 0.05 eV above the Fermi level, which can be analyzed through the polarization and sample azimuthal orientation dependence of the mPP spectra. Based on the calculated electronic structure and optical transition moments, as well as related spectroscopic evidence, we assign these resonances to transitions between Ti 3d bands of nominally t2g and eg symmetry, which are split by crystal field. The initial states for the optical transition are the reduced Ti3+ states of t2g symmetry populated by formation oxygen vacancy defects, which exist within the band gap of TiO2. Furthermore,we studied the electron dynamics within the conduction band of TiO2 by three-dimensional time-resolved pump-probe interferometric mPP measurements. The spectroscopic and time-resolved studies reveal competition between 2PP and 3PP processes where the t2g-eg transitions in the 2PP process saturate, and are overtaken by the 3PP process initiated by the band-gap excitation from the valence band of TiO2.

  10. Pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation

    SciTech Connect (OSTI)

    Catillon, G.; Chartier, A.

    2014-11-21

    The pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation are calculated by means of molecular dynamics calculations. The critical temperature for amorphization obeys a linear law with pressure. Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation transits towards the fluorite above this temperature and amorphizes below. The configuration of the Ti interstitial reveals to be the key of the amorphizability of Gd{sub 2}Ti{sub 2}O{sub 7}. Its stability depends upon disorder and pressure. Low pressure promotes the stabilization of Ti linked-polyhedra that drive the system to the amorphous state under irradiation. Conversely, high pressure activates its destabilization to interstitials that recombine with vacancies, driving the system to the fluorite structure under irradiation.

  11. Thermal protection of H13 steel by growth of (TiAl)N films by PAPVD pulsed arc technique

    SciTech Connect (OSTI)

    Jimenez, H.; Devia, D.M.; Benavides, V.; Devia, A. Arango, Y.C.; Arango, P.J.; Velez, J.M.

    2008-08-15

    (TiAl)N Films were grown on H13 steel by a plasma assisted repetitive pulsed arc discharge. To grow the coatings, a TiAl sintered cathode was used, 50% Ti-50% Al. The deposition system consists of a reaction chamber with two electrodes placed face to face. A pulsed power supply, which allows for control of parameters like time active arc, time between arcs, arc energy, and others, is used to generate the discharge. Thermal changes were carried out on H13 steel before and after growing the (TiAl)N films. X-ray diffraction (XRD) was employed to study the coatings, observing the H13 steel and (TiAl)N oxidation temperature. Morphological characteristics were analyzed by means of an Atomic Force Microscopy (AFM). Scanning electron microscopy (SEM) revealed the surface chemical composition of the films and morphological details of the samples.

  12. A reaction mechanism for titanium nitride CVD from TiCl{sub 4} and NH{sub 3}

    SciTech Connect (OSTI)

    Larson, R.S.; Allendorf, M.D.

    1995-12-01

    A gas-phase and surface reaction mechanism for the CVD of TiN from TiCl{sub 4} and NH{sub 3} is proposed. The only gas-phase process is complex formation, which can compete with deposition. The surface mechanism postulates the stepwise elimination of Cl and H atoms from TiCl{sub 4} and NH{sub 3}, respectively, to form solid TiN and gaseous HCl. The mechanism also accounts for the change in oxidation state of Ti by allowing for liberation of N{sub 2}. Provided that the surface composition is at steady state, the stoichiometry of the overall reaction is reproduced exactly. In addition, the global kinetic law predicted by the mechanism is successfully fit to new deposition data from a rotating disk reactor and is shown to be consistent with literature results.

  13. Characterizations Of Precipitate Phases In a Ti-Ni-Pd Alloy

    SciTech Connect (OSTI)

    Yang, Fan; Kovarik, Libor; Phillips, Patrick J.; Noebe, Ronald D.; Mills, M. J.

    2012-06-01

    Precipitates in the Ti46Ni37.5Pd16.5 alloy were investigated by electron diffraction and high-resolution scanning transmission electron microscopy. The phase content and stability were determined at several different temperatures and times. Aging at 400 C for an hour results in a new phase, which is consumed by P-phase at longer aging time. At 450 C, the new phase appears first, and then coexists with P-phase. At 500 C, the entire alloy transformed into the new phase. At 550 C, Ti3(Ni,Pd)4 phase begins to form.

  14. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

  15. Enhancing the Electron Mobility via Delta-Doping in SrTiO3

    SciTech Connect (OSTI)

    Kozuka, Y.

    2011-08-11

    We fabricated high-mobility {delta}-doped structures in SrTiO{sub 3} thin films in order to investigate the low temperature electronic transport properties of confined carriers in this system. An enhancement of the electron mobility above the bulk value was observed as the doped layer thickness decreased. High-field Hall measurements revealed that this mobility enhancement originates from higher-mobility electrons in the undoped clean regions, which have quantum-mechanically broadened from the doped layer. Because of the absence of apparent lattice misfit between the layers, this structure is highly suitable for investigating two-dimensional electron gases in SrTiO{sub 3}

  16. ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars

    SciTech Connect (OSTI)

    Wang, Dong, E-mail: dong.wang@tu-ilmenau.de; Yan, Yong; Schaaf, Peter [Chair Materials for Electronics, Institute of Materials Engineering and Institute of Micro- and Nanotechnologies MacroNano, TU Ilmenau, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau (Germany); Sharp, Thomas [Oxford Instruments Plasma Technology Ltd., Yatton, Bristol BS49 4AP (United Kingdom); Schnherr, Sven; Ronning, Carsten [Institute for Solid State Physics, Friedrich Schiller University Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Ji, Ran [SUSS MicroTec Lithography GmbH, Schleissheimer Str. 90, 85748 Garching (Germany)

    2015-01-01

    Porous Si nanopillar arrays are used as templates for atomic layer deposition of ZnO and TiO{sub 2}, and thus, ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars are fabricated. The diffusion of the precursor molecules into the inside of the porous structure occurs via Knudsen diffusion and is strongly limited by the small pore size. The luminescence of the ZnO/porous-Si nanocomposite nanopillars is also investigated, and the optical emission can be changed and even quenched after a strong plasma treatment. Such nanocomposite nanopillars are interesting for photocatalysis and sensors.

  17. An Experimental and Theoretical Study of Ti-6Al-4V to Multi-mbar Pressures

    SciTech Connect (OSTI)

    MacLeod, S G; Tegner, B E; Cynn, H; Evans, W J; Proctor, J; McMahon, M I; Ackland, G J

    2012-03-14

    We report results from an experimental and theoretical study of the ternary alloy Ti-6Al-4V to 221 GPa. We observe a phase transition to the hexagonal {omega}-phase at approximately 30 GPa, and then a further transition to the cubic {beta}-phase starting at 94-99 GPa. We do not observe the orthorhombic {gamma} and {delta} phases reported previously in pure Ti. Computational studies show that this sequence is possible only if there is significant local atomic ordering during the compression process, yet insufficient atomic diffusion to reach the phase separated thermodynamic equilibrium state.

  18. Visible Light Photocatalysis via CdS/TiO2Nanocomposite Materials

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

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    Nanostructured colloidal semiconductors with heterogeneous photocatalytic behavior have drawn considerable attention over the past few years. This is due to their large surface area, high redox potential of the photogenerated charge carriers, and selective reduction/oxidation of different classes of organic compounds. In the present paper, we have carried out a systematic synthesis of nanostructured CdS-TiO2via reverse micelle process. The structural and microstructural characterizations of the as-prepared CdS-TiO2nanocomposites are determined using XRD and SEM-EDS techniques. The visible light assisted photocatalytic performance is monitored by means of degradation of phenol in water suspension.

  19. Mixed-sputter deposition of Ni-Ti-Cu shape memory films

    SciTech Connect (OSTI)

    Krulevitch, P.; Ramsey, P.B.; Makowiecki, D.M.; Lee, A.P.; Northrup, M.A.; Johnson, G.C.

    1994-05-01

    Ni-Ti-Cu shape memory films were mixed-sputter deposited from separate nickel, titanium, and copper targets, providing increased compositional flexibility. Shape memory characteristics, examined for films with 7 at. % Cu and 41--51 at. % Tl, were determined with temperature controlled substrate curvature measurements, and microstructure was studied with transmission electron microscopy. The Ni-Ti-Cu films were found to have shape memory properties comparable to bulk materials, with transformation temperatures between 20 and 62{degree}C, a 10--13{degree}C hysteresis, and up to 330 MPa recoverable stress.

  20. Preparation, characterization, and photocatalytic studies on anatase nano-TiO{sub 2} at internal air lift circulating photocatalytic reactor

    SciTech Connect (OSTI)

    Xu, Hang Li, Mei; Jun, Zhang

    2013-09-01

    Graphical abstract: The micro morphological structure of the nano-TiO{sub 2} particles was also observed with TEM, as shown in figure. The TEM images clearly exhibited the homogeneous microstructure of particles with a size of around 1015 nm. - Highlights: Nano-TiO{sub 2} was prepared by complex techniques of solgel, micro-emulsion and solvent thermal. The size of TiO{sub 2} was nano level and uniformity. Nano-TiO{sub 2} exhibited high photo-catalytic activity at internal air lift circulating reactor. The best nano-TiO{sub 2} dosage was obtained. - Abstract: Anatase nano-titania (TiO{sub 2}) powder was prepared by using a solgel process mediated in reverse microemulsion combined with a solvent thermal technique. The structures of the obtained TiO{sub 2} were characterized by TG-DSC, XRD, TEM. The photocatalytic decomposition of methylene blue (MB) on nano-TiO{sub 2} was studied by using an internal air lift circulating photocatalytic reactor. The results show that the anatase structure appears in the calcination temperature range of 400510 C, while the transformation of anatase into rutile takes place above 510 C. The homogeneous microstructure of nano-TiO{sub 2} particles was obtained with a size of around 1015 nm. In the photocatalytic performance, degradation process follows pseudo first order kinetics with different dosages of photocatalyst and initial MB concentrations and optimal TiO{sub 2} dosage is 0.1 g/L with neutral medium.