National Library of Energy BETA

Sample records for ti ons ma

  1. MA AP MA MA MA AP AP MA MA MA AP AP

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

    AP MA MA MA AP AP MA MA MA AP AP low low low AP MA Run PAMM AP Low alpha University Holidays APPAMM Spear Down Hrs S 30 31 S 30 5260 832 6092 2013 2014 Scheduled Hours Users...

  2. MA AP MA MA MA AP AP MA MA MA AP AP

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

    AP MA MA MA AP AP MA MA MA AP AP low low low AP MA Run PAMM / AP Low alpha University Holidays AP/PAMM Spear Down Hrs S 30 31 S 30 5260 832 6092 2013 2014 Scheduled Hours Users Total 29 31 30 29 31 30 F 31 28 29 30 T 31 28 27 29 28 30 30 27 29 W 30 29 26 29 27 31 28 AP T 29 26 29 27 AP PAMM 30 28 25 31 28 26 30 27 30 28 26 M 28 25 29 27 24 30 27 25 29 26 S 27 24 28 26 23 27 29 26 24 28 25 S 26 23 28 26 24 23 27 25 28 28 25 25 22 27 24 25 23 F 25 26 24 21 27 24 22 26 23 22 27 T 24 21 20 24 22 21

  3. A rational minor actinide (MA) recycling concept based on innovative oxide fuel with high AM content

    SciTech Connect (OSTI)

    Tanaka, Kenya; Sato, Isamu; Ishii, Tetsuya; Yoshimochi, Hiroshi; Asaga, Takeo; Kurosaki, Ken

    2007-07-01

    A rational MA recycle concept based on high Am content fuel has been proposed. A design study of an Am- MOX fabrication plant, which is a key facility for the MA recycle concept, has been done and the facility concept was clarified from the viewpoint of basic process viability. Preliminary cost estimation suggested that the total construction cost of the MA recycle facilities including Am-MOX, Np-MOX and MA recovery could be comparable with that of the large scale LWR-MOX fabrication plant required for plutonium in LWR fuel cycle. (authors)

  4. MA MA AP

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

    MA AP low low low MA Run PAMM / AP Low alpha University Holidays AP/PAMM Spear Down Oct Nov S Apr May Jun Jul Aug Sep 7/17/2015 SPEAR OPERATING SCHEDULE 2015-2016 2015 2016 Oct Nov Dec Jan Feb Mar S 1 1 2 1 4 1 M 2 1 2 1 T 3 1 3 PAMM 1 2 2 3 6 3 W 4 2 3 AP AP 5 2 1 3 2 4 F 2 6 4 1 5 2 4 3 T 1 5 3 5 2 7 4 3 1 5 4 1 6 4 1 5 8 5 S 4 8 2 6 3 2 7 4 2 6 5 S 3 7 6 5 3 7 6 3 8 6 3 7 4 8 7 M 5 9 7 4 9 10 7 AP PAMM PAMM PAMM PAMM 4 8 5 4 9 6 8 AP 5 9 6 5 AP 10 7 5 9 AP 8 6 10 9 13 W 7 11 9 11 T 6 10 8 12

  5. Tammy Ma

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

    tammy ma Tammy Ma Drawn to Science and Giving Back Tammy Ma Tammy Ma We sat down with Dr. Tammy Ma, an experimental physicist at the National Ignition Facility, to talk about what motivates her, why she loves science, her belief in giving back, and advice for younger scientists. Motivation and work ethic My mother, unfortunately, didn't get the chance to finish high school or go to college because she emigrated to Canada as a teenager. So it's always been instilled in both me and my younger

  6. MA Doping Analysis on Breeding Capability and Protected Plutonium...

    Office of Scientific and Technical Information (OSTI)

    adopted which is based on the core optimization calculation of SRAC-CITATION code as ... on advances in nuclear science and engineering 2009, Bandung (Indonesia), 3-4 Nov ...

  7. DRAFT MA

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

    MA low low MA Run PAMM / AP Low alpha University Holidays AP PAMM Spear Down 688 72 PAMM Users Total 5252 6012 Sep Oct Sep 2016 2017 Scheduled Hours Mar Apr May Jun Jul Aug Oct Nov Dec Jan Feb S 30 31 Lck SP S 29 30 31 F 30 28 30 29 31 30 29 29 T 30 27 31 28 29 28 AP W 30 28 29 26 31 30 27 28 AP 28 AP T 29 27 31 AP 30 27 AP AP AP PAMM 31 28 25 27 29 26 26 30 27 29 26 M 31 28 30 27 24 30 28 25 29 26 26 28 25 S 30 27 25 29 26 23 25 29 27 24 24 28 25 S 29 26 22 27 24 23 28 25 24 28 26 23 27 24 26

  8. Larger sized wire arrays on 1.5 MA Z-pinch generator

    SciTech Connect (OSTI)

    Safronova, A. S. Kantsyrev, V. L. Weller, M. E. Shlyaptseva, V. V. Shrestha, I. K. Esaulov, A. A. Stafford, A.; Chuvatin, A. S.; Coverdale, C. A.; Jones, B.

    2014-12-15

    Experiments on the UNR Zebra generator with Load Current Multiplier (LCM) allow for implosions of larger sized wire array loads than at standard current of 1 MA. Advantages of larger sized planar wire array implosions include enhanced energy coupling to plasmas, better diagnostic access to observable plasma regions, and more complex geometries of the wire loads. The experiments with larger sized wire arrays were performed on 1.5 MA Zebra with LCM (the anode-cathode gap was 1 cm, which is half the gap used in the standard mode). In particular, larger sized multi-planar wire arrays had two outer wire planes from mid-atomic-number wires to create a global magnetic field (gmf) and plasma flow between them. A modified central plane with a few Al wires at the edges was put in the middle between outer planes to influence gmf and to create Al plasma flow in the perpendicular direction (to the outer arrays plasma flow). Such modified plane has different number of empty slots: it was increased from 6 up to 10, hence increasing the gap inside the middle plane from 4.9 to 7.7 mm, respectively. Such load configuration allows for more independent study of the flows of L-shell mid-atomic-number plasma (between the outer planes) and K-shell Al plasma (which first fills the gap between the edge wires along the middle plane) and their radiation in space and time. We demonstrate that such configuration produces higher linear radiation yield and electron temperatures as well as advantages of better diagnostics access to observable plasma regions and how the load geometry (size of the gap in the middle plane) influences K-shell Al radiation. In particular, K-shell Al radiation was delayed compared to L-shell mid-atomic-number radiation when the gap in the middle plane was large enough (when the number of empty slots was increased up to ten)

  9. Early time studies of cylindrical liner implosions at 1 MA on COBRA

    SciTech Connect (OSTI)

    Atoyan, L. Byvank, T. Cahill, A. D. Hoyt, C. L. Grouchy, P. W. L. de Potter, W. M. Kusse, B. R. Hammer, D. A.

    2014-12-15

    Tests of the magnetized liner inertial fusion (MagLIF) concept will make use of the 27 MA Z machine at Sandia National Laboratories, Albuquerque, to implode a cylindrical metal liner to compress and heat preheated, magnetized plasma contained within it. While most pulsed power machines produce much lower currents than the Z-machine, there are issues that can still be addressed on smaller scale facilities. Recent work on the Cornell Beam Research Accelerator (COBRA) has made use of 10 mm long and 4 mm diameter metal liners having different wall thicknesses to study the initiation of plasma on the liner’s surface as well as axial magnetic field compression [P.-A. Gourdain et al., Nucl. Fusion 53, 083006 (2013)]. This report presents experimental results with non-imploding liners, investigating the impact the liner’s surface structure has on initiation and ablation. Extreme ultraviolet (XUV) imaging and optical 12 frame camera imaging were used to observe and assess emission non-uniformities as they developed. Axial and side-on interferometry was used to determine the distribution of plasma near the liner surface, including the impact of non-uniformities during the plasma initiation and ablation phases of the experiments.

  10. 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

  11. Effect of mechanical alloying synthesis process on the dielectric properties of (Bi{sub 0.5}Na{sub 0.5}){sub 0.94}Ba{sub 0.06}TiO{sub 3} piezoceramics

    SciTech Connect (OSTI)

    Ghazanfari, Mohammad Reza; Amini, Rasool; Shams, Seyyedeh Fatemeh; Alizadeh, Morteza; Ardakani, Hamed Ahmadi

    2015-08-15

    Highlights: • MA samples show higher dielectric permittivity and Curie temperature. • In MA samples, dielectric loss is almost 27% less than conventional ones. • In MA samples, sintering time and temperature are lower than conventional ones. • In MA samples, particle morphology is more homogeneous conventional ones. • In MA samples, crystallite size is smaller conventional ones. - Abstract: In present work, in order to study the effects of synthesis techniques on dielectric properties, the BNBT lead-free piezoceramics with (Bi{sub 0.5}Na{sub 0.5}){sub 0.94}Ba{sub 0.06}TiO{sub 3} stoichiometry (called as BNBT6) were synthesized by mechanical alloying (MA) and conventional mixed oxides methods. The structural, microstructural, and dielectric properties were carried out by X-ray diffractometer (XRD), scanning electron microscope (SEM), and impedance analyzer LCR meter, respectively. Based on results, the density of MA samples is considerably higher than conventional samples owning to smaller particles size and more uniformity of particle shape of MA samples. Moreover, the dielectric properties of MA samples are comparatively improved in which the dielectric loss of these samples is almost 27% less than conventional ones. Furthermore, MA samples exhibit obviously higher dielectric permittivity and Curie temperature compared to the conventional samples.

  12. MaRIE Presentations

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

    MaRIE Presentations MaRIE Presentations MaRIE will provide a capability to address the control of performance and production of weapons materials at the mesoscale. MaRIE fills a critical gap in length scale between the integral scale addressed by studies conducted at DARHT, U1a, NIF, and Z. MaRIE 1.0 Matter Radiation Interactions in Extremes 1.0 70th Anniversary (pdf) July 27, 2013

  13. DOE/MA-0518

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

    MA-0518 Origins of the Nevada Test Site United States Department of Energy Terrence R. Fehner F. G. Gosling History Division Executive Secretariat Management and Administration Department of Energy December 2000 Acknowledgments Origins of the Nevada Test Site was written in conjunction with the 50th anniversary commemoration of the Nevada Test Site. The history was released at the official celebration held in Las Vegas, Nevada, on December 18, 2000, fifty years after President Harry S. Truman

  14. DOE - Office of Legacy Management -- Shpack Landfill - MA 06

    Office of Legacy Management (LM)

    Shpack Landfill - MA 06 FUSRAP Considered Sites Shpack Landfill, NY Alternate Name(s): Attleboro, MA Metals and Controls Site Norton Landfill area MA.06-2 MA.06-3 Location: 68 Union Road, Norton, Massachusetts MA.06-2 Historical Operations: No AEC activities were conducted on site. Contamination was suspected from disposal of materials containing uranium and zirconium ash. MA.06-2 MA.06-3 Eligibility Determination: Eligible MA.06-1 Radiological Survey(s): Assessment Surveys MA.06-4 MA.06-5

  15. DOE - Office of Legacy Management -- Fenwal Inc - MA 14

    Office of Legacy Management (LM)

    Fenwal Inc - MA 14 FUSRAP Considered Sites Site: Fenwal, Inc. (MA.14 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Ashland , Massachusetts MA.14-1 Evaluation Year: 1994 MA.14-2 MA.14-3 Site Operations: Performed pilot scale explosion suppression tests on uranium contaminated magnesium fluoride powder in the late 1960s. MA.14-1 MA.14-3 Site Disposition: Eliminated - Potential for contamination considered remote based on the limited

  16. DOE - Office of Legacy Management -- Heald Machine Co - MA 15

    Office of Legacy Management (LM)

    Heald Machine Co - MA 15 FUSRAP Considered Sites Site: Heald Machine Co. (MA.15) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Worcester , Massachusetts MA.15-1 Evaluation Year: 1994 MA.15-2 MA.15-3 Site Operations: Research and development on uranium slug drilling machines in the early 1960s. MA.15-1 Site Disposition: Eliminated - Potential for contamination considered remote based on the limited quantity of materials handled MA.15-2

  17. 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.

  18. DOE - Office of Legacy Management -- National Fireworks Ordnance Corp - MA

    Office of Legacy Management (LM)

    13 Fireworks Ordnance Corp - MA 13 FUSRAP Considered Sites Site: NATIONAL FIREWORKS ORDNANCE CORP (MA.13) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: American Potash and Chemical Corporation MA.13-3 Location: West Hanover , Massachusetts MA.13-1 Evaluation Year: 1991 MA.13-1 Site Operations: Performed bench scale research and development on uranium forming during the 1960s. MA.13-2 MA.13-3 Site Disposition: Eliminated - Potential for

  19. On the possibility of neutron generation in an imploding TiD{sub 2} puff Z pinch

    SciTech Connect (OSTI)

    Baksht, Rina B.; Tel-Aviv University, Tel Aviv ; Oreshkin, Vladimir I.; Tomsk Polytechnic University, Tomsk ; Rousskikh, Alexander G.

    2013-08-15

    Simulation of implosion of a TiD{sub 2} puff Z pinch is reported. The Z pinch is supposed to be produced by the plasma flow generated by a vacuum arc, as described by Rousskikh et al.[Phys. Plasmas 18, 092707 (2011)]. To simulate the implosion, a one-dimensional two-temperature radiative magnetohydrodynamics code was used. The simulation has shown that neutrons are generated during the implosion of a TiD{sub 2} puff Z pinch due to thermalization of the pinch plasma stagnated on axis. It has been shown that the necessary condition for neutron generation is that the ion temperature must be substantially higher than the electron temperature. For a pinch current of 1 MA, the predicted yield of 'thermal' neutrons is 2.5 10{sup 9} neutrons/shot.

  20. DOE - Office of Legacy Management -- Norton Co - MA 12

    Office of Legacy Management (LM)

    Norton Co - MA 12 FUSRAP Considered Sites Site: NORTON CO. (MA.12) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 1 New Bond Street , Worcester , Massachusetts MA.12-1 Evaluation Year: 1987 MA.12-3 Site Operations: Manufactured refractory products using thorium and uranium metal. MA.12-3 MA.12-4 Site Disposition: Eliminated - NRC licensed - Potential for contamination considered remote based on the limited scope of activities

  1. 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...

  2. 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.

  3. Scaling of X pinches from 1 MA to 6 MA.

    SciTech Connect (OSTI)

    Bland, Simon Nicholas; McBride, Ryan D.; Wenger, David Franklin; Sinars, Daniel Brian; Chittenden, Jeremy Paul; Pikuz, Sergei A.; Harding, Eric; Jennings, Christopher A.; Ampleford, David J.; Yu, Edmund P.; Cuneo, Michael Edward; Shelkovenko, Tatiana A.; Hansen, Stephanie B.

    2010-09-01

    This final report for Project 117863 summarizes progress made toward understanding how X-pinch load designs scale to high currents. The X-pinch load geometry was conceived in 1982 as a method to study the formation and properties of bright x-ray spots in z-pinch plasmas. X-pinch plasmas driven by 0.2 MA currents were found to have source sizes of 1 micron, temperatures >1 keV, lifetimes of 10-100 ps, and densities >0.1 times solid density. These conditions are believed to result from the direct magnetic compression of matter. Physical models that capture the behavior of 0.2 MA X pinches predict more extreme parameters at currents >1 MA. This project developed load designs for up to 6 MA on the SATURN facility and attempted to measure the resulting plasma parameters. Source sizes of 5-8 microns were observed in some cases along with evidence for high temperatures (several keV) and short time durations (<500 ps).

  4. 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 ...

  5. 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 ...

  6. 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.

  7. 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.

  8. 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.

  9. US NE MA Site Consumption

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

    NE MA Site Consumption million Btu 0 500 1,000 1,500 2,000 2,500 3,000 US NE MA ... 8,000 10,000 12,000 US NE MA Site Consumption kilowatthours 0 250 500 750 1,000 ...

  10. 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.

  11. 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 ...

  12. 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.

  13. Photo-catalytic oxidation of acetone on a TiO2 powder: An in situ FTIR investigation

    SciTech Connect (OSTI)

    Szanyi, Janos; Kwak, Ja Hun

    2015-09-01

    In situ transmission infrared spectroscopy was used to investigate the photo-oxidation of acetone on a commercial, oxidized TiO2 (P25) powder catalyst under UV irradiation at ambient temperature, in the absence and presence of gas phase O2. The photochemistry of a number of organic molecules (1-butanone, methanol and acetic acid,) under the same conditions was also studied in order to identify reaction intermediates and products formed in the photo-oxidation of acetone. Under anaerobic conditions (in the absence of gas phase oxygen) limited extent of photo-oxidation of acetone took place on the oxidized TiO2 sample. In the presence of O2 in the gas phase, however, acetone was completely converted to acetates and formates, and ultimately CO2. The initial step in the sequence of photo-induced reactions is the ejection of a methyl radical, resulting in the formation of surface acetates (from the acetyl group) and formates (from the methyl radicals). Acetate ions are also converted to formates, that, in turn, photo-oxidized to CO2. Under the experimental conditions applied the accumulation of carbonates and bicarbonates were observed on the TiO2 surface as the photo-oxidation of acetone proceeded (this was also observed during the course of photo-oxidation of all the other organics studied here). When the initial radical ejection step produced hydrocarbons containing more than one C atoms (as in the case in 2-butanone and mesytil oxide), the formation of aldehydes on the catalyst surface was also observed as a result of secondary reactions. 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 is operated by Battelle for the US Department of Energy. JHK also acknowledges the support of this work by the 2014 Research Fund of UNIST (Ulsan National Institute of Science and Technology, Ulsan, Korea). The authors thank M.A

  14. 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.

  15. 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.

  16. MA-60 Org chart | Department of Energy

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

    MA-60 Org chart MA-60 Org chart Updated May 5, 2016 OAM Org Chart (MA-60) 053016.png OAM Org Chart (MA-60) 053016.pdf (148.11 KB)

  17. CAES MaCS Home

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

    cross-cutting capabilities that support the Center for Advanced Energy Studies' (CAES) mission in multiple initiative areas. MaCS is largely made possible through its...

  18. MA Mortenson | Open Energy Information

    Open Energy Info (EERE)

    Name: MA Mortenson Place: Minnesota Zip: 55440-0710 Sector: Solar, Wind energy Product: Construction and building firm active in the installation of wind and solar farms....

  19. Ookie Ma | Department of Energy

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

    Ookie Ma - Policy and Analysis Portfolio Manager, Office of Energy Efficiency and Renewable Energy Most Recent Natural Gas: Lifting Mileage Higher and Higher April 7 New EERE ...

  20. Discovery and utilization of sorghum genes (Ma5/Ma6)

    DOE Patents [OSTI]

    Mullet, John E; Rooney, William L; Klein, Patricia E; Morishige, Daryl; Murphy, Rebecca; Brady, Jeff A

    2012-11-13

    Methods and composition for the production of non-flowering or late flowering sorghum hybrid. For example, in certain aspects methods for use of molecular markers that constitute the Ma5/Ma6 pathway to modulate photoperiod sensitivity are described. The invention allows the production of plants having improved productivity and biomass generation.

  1. DOE - Office of Legacy Management -- Watertown Arsenal - MA 02

    Office of Legacy Management (LM)

    Watertown Arsenal - MA 02 FUSRAP Considered Sites Site: WATERTOWN ARSENAL (MA.02 ) Eliminated from consideration under FUSRAP - Referred to EPA, State of Massachusetts, and the NRC Designated Name: Not Designated Alternate Name: None Location: Building Site 421 , Watertown , Massachusetts MA.02-1 Evaluation Year: 1985 MA.02-2 MA.02-3 Site Operations: Building 421 was used in the late 1940's and early 1950's by M.I.T. under Contract #AT (30-1)-956 for work on African Ores, and a modified

  2. 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.

  3. Effects of aging on the characteristics of TiNiPd shape memory alloy thin films

    SciTech Connect (OSTI)

    Zhang Congchun

    2008-07-15

    TiNiPd thin films have been deposited on glass substrate using R.F. magnetron sputtering. Effects of annealing and aging on the microstructure, phase transformation behaviors and shape memory effects of these thin films have been studied by X-ray diffractometry, differential scanning calorimeter, tensile tests and internal friction characteristics. The TiNiPd thin films annealed at 750 deg. C exhibit uniform martensite/austenite transformations and shape memory effect. Aging at 450 deg. C for 1 h improved the uniformity of transformations and shape memory effect. Long time aging decreased transformation temperatures and increased the brittleness of TiNiPd thin films.

  4. DOE - Office of Legacy Management -- C G Sargent and Sons - MA 17

    Office of Legacy Management (LM)

    C G Sargent and Sons - MA 17 FUSRAP Considered Sites Site: C. G. SARGENT & SONS (MA.17 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Graniteville , Massachusetts MA.17-1 Evaluation Year: 1991 MA.17-1 MA.17-2 Site Operations: Conducted extruder and drying tests with thorium in the late 1960s. MA.17-3 Site Disposition: Eliminated - Potential for contamination considered remote based on the limited quantity of materials handled

  5. DOE - Office of Legacy Management -- La Pointe Machine and Tool Co - MA 16

    Office of Legacy Management (LM)

    La Pointe Machine and Tool Co - MA 16 FUSRAP Considered Sites Site: LA POINTE MACHINE AND TOOL CO. (MA.16 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Hudson , Massachusetts MA.16-1 Evaluation Year: 1994 MA.16-2 MA.16-3 Site Operations: Conducted machine tests involving uranium metal during the mid-1950s. MA.16-1 Site Disposition: Eliminated - Potential for contamination considered remote based on the limited quantity of materials

  6. DOE - Office of Legacy Management -- Tufts College - MA 0-05

    Office of Legacy Management (LM)

    Tufts College - MA 0-05 FUSRAP Considered Sites Site: TUFTS COLLEGE ( MA.0-05 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Medford , Massachusetts MA.0-05-1 Evaluation Year: 1987 MA.0-05-1 Site Operations: Research and development using only small quantities of radioactive material. MA.0-05-1 Site Disposition: Eliminated - Potential for contamination considered remote based on limited quantities of material handled MA.0-05-1

  7. 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.

  8. 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: ...

  9. 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).

  10. 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.

  11. 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.

  12. DOE - Office of Legacy Management -- Beverly MA Site - MA 04

    Office of Legacy Management (LM)

    This site is managed by the U.S. Department of Energy Office of Legacy Management. MA.04-1 - DOE Memorandum; Voigt to LaGrone; Subject: Designation of Sites for Remedial Action - ...

  13. 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.

  14. Radiation Protection Instrument Manual, Revision 1, PNL-MA-562

    SciTech Connect (OSTI)

    Johnson, Michelle Lynn

    2009-09-23

    PNL-MA-562 This manual provides specific information for operating and using portable radiological monitoring instruments available for use on the Hanford Site.

  15. 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.

  16. 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

  17. MA Org Chart, November 16, 2015

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

    of Staff MA-80 Office of the Ombudsman Rita R. Franklin, Director November 2015 Adrian Collins, Dep. Director MA-50 Office of Asset Management Carmelo Melendez, Director MA-40...

  18. MA Org Chart, August 13, 2015

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

    of Staff MA-80 Office of the Ombudsman Rita R. Franklin, Director August 2015 Adrian Collins, Dep. Director MA-50 Office of Asset Management Carmelo Melendez, Director MA-40...

  19. MA HEAT Loan Overview

    Broader source: Energy.gov [DOE]

    Presents information on the success of Massachusetts's HEAT loan offerings and how the financing tool is funded.

  20. MA Org Chart, January 5, 2016

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

    Director Office of Scheduling and Advance Charles Quintero, Director MA-10 MA-70 Office of ... Information Technology Program Emily Stanton Chris Morris, FOIA Officer Vacant Office of ...

  1. XAFS Study on TiO2 Photocatalyst Loaded on Zeolite Synthesized from Steel Slag

    SciTech Connect (OSTI)

    Kuwahara, Yasutaka; Ohmichi, Tetsutaro; Mori, Kosuke; Katayama, Iwao; Yamashita, Hiromi

    2007-02-02

    The convenient route for the synthesis of Y-zeolites by utilizing steel slag as a material source was developed. Through hydrothermal treatment, well-crystallized Y-zeolite was obtained. We also synthesized TiO2-loaded Y-zeolites by an impregnation method. The structure of titanium oxide species highly dispersed on the zeolite, which couldn't be detected by XRD patterns, was investigated by XAFS analysis. Photocatalytic activity for decomposition of 2-propanol in liquid phase was found to be enhanced by the hydrophobic surface property of zeolite. It has been demonstrated that the zeolite synthesized from steel slag would be applicable as a promising support of TiO2 photocatalyst.

  2. 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)

  3. 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.

  4. 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.

  5. 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.

  6. 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)

  7. Xuedan Ma | Argonne National Laboratory

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

    Xuedan Ma Assistant Scientist Education Ph.D. University of Hamburg Postdoc experience Center for Integrated Nanotechnologies, Sandia National Laboratories, 2015-2016 Center for Integrated Nanotechnologies, Los Alamos National Laboratories, 2012-2015 Research Summary Quantum optics of semiconductor nanomaterials Temperature dependent single molecule/particle optical spectroscopy and imaging Plasmonic and dielectric metamaterials; nanophotonics and nano-optics Biological imaging and sensing;

  8. MA.+'

    Office of Legacy Management (LM)

    ... B. S. Ellis, J. A. Kark, E. T. Loy, R. Ray, D. A. Roberts, W. H. Shinpaugh, T. R. ... After 1948, the Atomic Energy Commission surveyed the facility and performed decontamina- ...

  9. 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

  10. 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.

  11. Adsorption of small hydrocarbons on rutile TiO2(110)

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

    Chen, Long; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2015-11-21

    Here, temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes of C1–C4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti5c sites. Similar to previous studies on the adsorption ofmore » n-alkanes on metal and metal oxide surfaces, we find that the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti5c sites were also determined. The saturation coverage of CH4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C2–C4 hydrocarbons are found nearly independent of the chain length with values of ~ 1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.« less

  12. 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.

  13. 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

  14. TO: FILE FRml: J&-q Ma

    Office of Legacy Management (LM)

    nEnaRAt4Dun TO: FILE FRml: J&-q Ma __--------- SUBJECT:' g I**;&4 AfI~s-dd-rs , /y/u,,r(,, ALTERNATE AIA& ___-_-__--_____-____------------------- NAnE:--------_________--__ CITY: M.'Iw.r\CcrQ STATE: -em-- -- wes) fiv;s ____ --------- ti 1 w!!!!2%2. Past: _______----__------~~~~~ Current:____-_-___------- Owner cnntacted Pf yes Q no; if yes, date contacted--- /1,7-w~~~I ,I TYPE OF OPERATION (4MJ J?i- 5796 zb7~:r~ __-- ____ -----_--- q Research & Development cl Faci 1 i ty Type 0

  15. Isothermal oxidation behavior and microstructure of plasma surface Ta coating on ?-TiAl

    SciTech Connect (OSTI)

    Song, Jian; Zhang, Ping-Ze Wei, Dong-Bo; Wei, Xiang-Fei; Wang, Ya

    2014-12-15

    The oxidation behavior of ?-TiAl with Ta surface coating fabricated by double glow plasma surface alloying technology was investigated by thermogravimetric method. Oxidation experiments were carried out at 750 C and 850 C in air for 100 h. The modification layer was comprised of deposition layer and diffusion layer, which metallurgically adhered to the substrate. Tantalum element decreased with the case depth. The oxidation morphology was studied by a scanning electron microscope and X-ray diffraction. The results highlighted that in the oxidizing process of the oxidation, the phase containing Ta-richer may restrain diffusing outward of the element Al in the matrix. Ti diffused outward, and formed the TiO{sub 2} scales, while the middle layer was rich in Al, and formed the continuous Al{sub 2}O{sub 3} scales after oxidation, which was effective to prevent further infiltration of oxygen atoms, and as a result the oxidation resistance increased immensely. - Highlights: A Ta modified coating was prepared on ?-TiAl using DGP surface alloying technology. The modification layer metallurgically adhered to the substrate. The bonding force is about 60 N, satisfying the demands of practical use. The oxidation resistance increased immensely at 750 C and 850 C.

  16. Generation of Organic Radicals During Photocatalytic Reactions on TiO2

    SciTech Connect (OSTI)

    Henderson, Michael A.; Deskins, N. Aaron; Zehr, Robert T.; Dupuis, Michel

    2011-04-01

    Using a variety of organic carbonyl molecules (R1C(O)R2) and the rutile TiO2(110) surface as a model photocatalyst, we demonstrate both experimentally and theoretically that ejection of organic radicals from TiO2 surfaces is likely a prevalent reaction process occurring during heterogeneous photooxidationof organic molecules. Organic carbonyls react with coadsorbed oxygen species to form organic diolates which are more strongly bound to TiO2 than are the parent carbonyls. The parent carbonyls, when bound to TiO2(110) in an ?1 configuration, are photo-inactive. However, the diolates are shown to photodecompose by ejection one of the two R substituents from the surface into the gas phase, leaving behind the carboxylate of the other R group. Theoretical calculations using DFT show that in most cases the choice of which R group is ejected can be predicted based on the C-R bond energies and, to a lesser extent, the stability of the ejected R group.

  17. MaRIE Name and Logo

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

    The MaRIE Name and Logo Explaining the MaRIE Name and Logo MaRIE is an acronym for "Matter-Radiation Interactions in Extreme" and honors a great scientist. Making, Measuring, and Modeling Materials» Multi-Probe Diagnostic Hall» Theory, Modeling and Computation» Accelerator Systems» Why MaRIE?: The MaRIE/Madame Curie relationship Marie Curie Los Alamos National Laboratory's flagship facility concept, MaRIE, stands for Matter-Radiation Interactions in Extremes. It is also named after

  18. Effect of pulse frequency on microstructural, nanomechanical, and wear properties of electrodeposited NiTiN composite coatings

    SciTech Connect (OSTI)

    Xia, Fafeng; Tian, Jiyu; Ma, Chunyang Guo, Xue; Potts, Matt

    2014-12-21

    The current paper reports successful syntheses of NiTiN composite coatings by pulse electrodeposition. The effect of pulse frequency on the microstructures, nanomechanical, and wear properties of the coatings was investigated using transmission electron microscopy, Xray diffraction, nanoindenter, scanning electron microscopy, and wear test instrument. The results showed that the NiTiN composite coating prepared at the pulse frequency of 100?Hz showed the presence of a less number of TiN particles and some degrees of aggregation in micro-regions. By contrast, in the NiTiN coating deposited at the pulse frequency of 500?Hz, the TiN particles were large in number and dispersed homogeneously, thereby, offering the coating a uniform and fine structure. The average grain diameters of Ni and TiN in the coating prepared at 100?Hz were 154.7 and 44.8?nm, respectively, whereas those for the coating prepared at 500?Hz were 67.3 and 25.9?nm, respectively. The maximum TiN content in the Ni-TiN coating deposited at 800?Hz was approximately 10.5?wt.?%. The maximum microhardness and the Young's modulus values for the NiTiN composite coatings deposited at 800?Hz were 35.7?GPa and 167.4?GPa, respectively. Furthermore, the NiTiN composite coating prepared at 100?Hz had more severe damages, whereas the morphologies of worn surface of the coatings deposited at 500?Hz and 800?Hz were smooth and only a few small pits appeared on the surface.

  19. DOE - Office of Legacy Management -- Reed Rolled Thread Co - MA 18

    Office of Legacy Management (LM)

    Reed Rolled Thread Co - MA 18 FUSRAP Considered Sites Site: REED ROLLED THREAD CO. (MA.18 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: Reed Rolled Thread and Die Co MA.18-1 Location: Worcester , Massachusetts MA.18-3 Evaluation Year: 1990 MA.18-2 MA.18-3 Site Operations: Thread rolling of a test lot of 1500 SRO slugs were planned for this site on September 14 and 15, 1955. There is no indication that the operation was actually conducted at this

  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.

  1. Roadmap to MaRIE November 2015

    SciTech Connect (OSTI)

    Barnes, Cris William

    2015-11-23

    This report describes MaRIE experimental facility in the November 2015 issue of their Science and Technology newsletter.

  2. LAMPF TO MaRIE

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

    LAMPF TO MaRIE Los Alamos National Laboratory - 70 Years of Science and Beyond E X P E R I M E N T A L P H Y S I C A L S C I E N C E S Through the science of making, measuring, and modeling, the people of Los Alamos National Laboratory discover breakthrough solutions to the most pressing national security challenges. PEOPLE BEHIND THE SCIENCE AND TECHNOLOGY LOS ALAMOS MILESTONES THE EVOLUTION OF LOS ALAMOS SIGNATURE FACILITIES EXPERTISE AND ACHIEVEMENTS IN MAKING, MEASURING, AND MODELING This

  3. Observation of negative differential capacitance (NDC) in Ti Schottky diodes on SiGe islands

    SciTech Connect (OSTI)

    Rangel-Kuoppa, Victor-Tapio; Jantsch, Wolfgang; Tonkikh, Alexander; Zakharov, Nikolay; Werner, Peter

    2013-12-04

    The Negative Differential Capacitance (NDC) effect on Ti Schottky diodes formed on n-type Silicon samples with embedded Germanium Quantum Dots (QDs) is observed and reported. The NDC-effect is detected using capacitance-voltage (CV) method at temperatures below 200 K. It is explained by the capture of electrons in Germanium QDs. Our measurements reveal that each Ge QD captures in average eight electrons.

  4. 2016 Polymer Physics Gordon Research Conference (South Hadley, MA) - JCAP

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

    16 Polymer Physics Gordon Research Conference (South Hadley, MA) 2016 Polymer Physics Gordon Research Conference (South Hadley, MA) Sun, Jul 24, 2016 3:00pm 15:00 Fri, Jul 29, 2016 4:00pm 16:00 South Hadley, MA USA Bryan S. Beckingham, Breanna M. Dobyns and Daniel J. Miller, "Real-time monitoring of single-and multi-component permeation via in-situ ATR FTIR spectroscopy" (poster) July 9 Gordon Research Seminar on Plasmonics and Nanophotonics (Newry, ME) July 25 21st International

  5. In-situ imaging of the nucleation and growth of epitaxial anatase TiO2(001) films on SrTiO3(001)

    SciTech Connect (OSTI)

    Du, Yingge; Kim, Dong Jun; Kaspar, Tiffany C.; Chamberlin, Sara E.; Lyubinetsky, Igor; Chambers, Scott A.

    2012-09-30

    The growth of TiO2 anatase films on Nb doped SrTiO3(001) by oxygen-assisted molecular beam epitaxy has been studied in-situ by scanning tunneling microscopy. We show that the initial growth follows the Stranski-Krastanov mode, where islands form on top of a wetting layer consisting of two monolayers (ML) of TiO2. The epitaxial islands subsequently nucleate and coalescence into large commonly-oriented crystallites. The (4x4) reconstruction observed by reflection high-energy electron diffraction (RHEED) is shown to result from the coexistence of individual (4x1) and (1x4) reconstructions present on different crystallite surfaces. The anatase grows in units of bilayers, resulting in a step height of 2 ML (~0.5 nm). This result explains the fact that the measured period of the RHEED specular-beam intensity oscillations corresponds to the time required for deposition of 2 ML. Ar ion sputtering and UHV annealing results in a transformation to coexisting (4x1) and (1x4) reconstructed terraces on individual crystallites, as commonly observed by ex-situ STM studies.

  6. Importance of Diffusion in Methanol Photochemistry on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Acharya, Danda P.; Dohnalek, Zdenek; Henderson, Michael A.

    2012-12-06

    The photoactivity of methanol on the rutile TiO2(110) surface is shown to depend on the ability of methanol to diffuse on the surface and find sites active for its thermal dissociation to methoxy. Temperature programmed desorption (TPD) results show that the extent of methanol photodecomposition to formaldehyde is negligible on the clean TiO2(110) surface at 100 K due to a scarcity of sites that can convert (photoinactive) methanol to (photoactive) methoxy. The extent of photoactivity at 100 K significantly increases when methanol is coadsorbed with oxygen, however only those molecules able to adsorb near (next to) a coadsorbed oxygen species are active. Preannealing coadsorbed methanol and oxygen to above 200 K prior to UV irradiation results in a significant increase in photoactivity. Scanning tunneling microscopy (STM) images clearly show that the advent of increased photoactivity in TPD correlates with the onset of methanol diffusion along the surfaces Ti4+ rows at ~200 K. These results demonstrate that optimizing thermal processes (such as diffusion or proton transfer reactions) can be critical to maximizing photocatalytic reactivity on TiO2 surfaces. This work was supported by the US Department of Energy, 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 under contract DEAC05-76RL01830. The research was performed using 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.

  7. Effect of silicon on ultra-low temperature toughness of Nb–Ti microalloyed cryogenic pressure vessel steels

    SciTech Connect (OSTI)

    Qiu, J.A.; Wu, K.M.; Li, J.H.; Hodgson, P.D.; Hou, T.P.; Ding, Q.F.

    2013-09-15

    The effect of Si on the ultra-low temperature toughness of Nb–Ti microalloyed cryogenic pressure vessel steels was investigated by electron back-scattered diffraction and transmission electron microscope with energy dispersive spectroscopy. Equiaxed ferrite and bainite were obtained in the tempered steels with small Si additions. Nanosized Nb–Ti carbides (< 10 nm) were formed in the steel containing 0.05% Si, whereas much coarser carbides (> 30 nm) were found in the steel containing 0.47% Si. The ultra-low temperature toughness of the Nb–Ti microalloyed cryogenic pressure vessel steel was remarkably enhanced by the reduction in the Si content, which was attributed to the pre-existing iron carbide formation before the precipitation of nanosized Nb–Ti carbides during tempering. - Highlights: • Nanosized Nb-Ti carbides formed in the tempered steel with smaller Si addition. • Coarser Nb-Ti carbides formed in the tempered steel with more Si addition. • Pre-existing cememtites provide nucleation sites for Nb-Ti carbide precipitation. • Ultra-low temperature toughness was remarkably enhanced by Si content reduction.

  8. Adsorption of small hydrocarbons on rutile TiO2(110)

    SciTech Connect (OSTI)

    Chen, Long; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2015-11-21

    Here, temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes of C1–C4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti5c sites. Similar to previous studies on the adsorption of n-alkanes on metal and metal oxide surfaces, we find that the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti5c sites were also determined. The saturation coverage of CH4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C2–C4 hydrocarbons are found nearly independent of the chain length with values of ~ 1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.

  9. Environmental effect on room-temperature ductility of isothermally forged TiAl-base alloys

    SciTech Connect (OSTI)

    Nakamura, Morihiko; Hashimoto, Kenki (National Research Inst. for Metals, Tokyo (Japan)); Itoh, Naoyuki (Nippon Steel Corp., Chiba (Japan)); Tsujimoto, Tokuzo (Ibaraki Univ. (Japan). Faculty of Engineering); Suzuki, Toshiyuki (Kougakuin Univ., Tokyo (Japan))

    1994-02-01

    Isothermally forged TiAl-base alloy (Al-rich, Mn-containing, and Cr-containing TiAl) were heat-treated in various conditions, and equiaxed grain structures consisting of [gamma] and [alpha][sub 2] or [beta] phases were obtained. The heat-treated alloys were tensile tested in vacuum and air at room temperature, and the environmental effect on tensile elongation was studied. The ductility of the alloys consisting of equiaxed [gamma] grains and a large amount of [alpha][sub 2] grains was not largely affecting by laboratory air, and a decrease in the amount of [alpha][sub 2] grains resulted in a large reduction of ductility in air. The [beta] phase in the Cr-containing alloy improved the ductility in vacuum, but it resulted in a large reduction of ductility in air.

  10. Diffusion of CO{sub 2} on Rutile TiO{sub 2}(110) Surface

    SciTech Connect (OSTI)

    Lee, Junseok; Sorescu, Dan C.; Deng, Xingyi; Jordan, Kenneth D.

    2011-12-15

    The diffusion of CO{sub 2} molecules on a reduced rutile TiO{sub 2}(110)-(11) surface has been investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM feature associated with a CO{sub 2} molecule at an oxygen vacancy (V{sub O}) becomes increasingly streaky with increasing temperature, indicating thermally activated CO{sub 2} diffusion from the V{sub O} site. From temperature-dependent tunneling current measurements, the barrier for diffusion of CO{sub 2} from the V{sub O} site is estimated to be 3.31 0.23 kcal/mol. The corresponding value from the DFT calculations is 3.80 kcal/mol. In addition, the DFT calculations give a barrier for diffusion of CO{sub 2} along Ti rows of only 1.33 kcal/mol.

  11. Audit Report: CR-MA-95-02 | Department of Energy

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

    MA-95-02 Audit Report: CR-MA-95-02 February 10, 1995 Management Advisory Report on Universities Research Association's Documentation and Technical Closeout Activities Audit Report: CR-MA-95-02 (535.76 KB) More Documents & Publications Audit Report: IG-0389 Audit Report: IG-0407 Audit Report: IG-0520

  12. Influence of fatigue on the nanohardness of NiTiCr-wires

    SciTech Connect (OSTI)

    Frotscher, M.; Young, M. L.; Bei, Hongbin; George, Easo P; Neuking, K.; Eggeler, G.

    2009-01-01

    Testing parameters, such as rotational speed and bending radius, have a strong influence on the fatigue life of pseudoelastic NiTi shape-memory alloys during bending rotation fatigue (BRF) experiments [M. F. X. Wagner, Int. J. Mat. Res. 97 (2006), p. 1687-1696. and M. Frotscher, et al., Thermomechanical processing, microstructure and bending rotation fatigue of ultra-fine grained NiTiCr-wires, Proceedings of the International Conference for Shape Memory and Superelastic Technologies (SMST 2007), Tsukuba, Japan, ASM International, (2008), p. 149-158.]. Previous studies showed a decrease in the fatigue life for smaller bending radius (i.e. higher equivalent strain) and larger rotational speed. This observation is associated with an increase of dislocation density, the stabilization of stressinduced martensite during cycling, and an increase of the plateau stresses due to self-heating. In the present study, we examine the influence of these fatigue parameters on the nanohardness and shape recovery of pseudoelastic NiTiCr shape-memory alloy wires by nanoindentation. We show that nanoindentation is a suitable method for the characterization of fatigue-related microstructural changes, which affect the mechanical properties.

  13. Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 11

    SciTech Connect (OSTI)

    Kim, Boseong; Kay, Bruce D.; Dohnalek, Zdenek; Kim, Yu Kwon

    2015-01-15

    The reaction of NO with hydroxylated rutile TiO2(110)-11 surface (h-TiO2) was investigated as a function of NO coverage using temperature-programmed desorption. Our results show that NO reaction with h-TiO2 leads to formation of NH3 which is observed to desorb at ~ 400 K. Interestingly, the amount of NH3 produced depends nonlinearly on the coverage of NO. The yield increases up to a saturation value of ~1.31013 NH3/cm2 at a NO dose of 51013 NO/cm2, but subsequently decreases at higher NO doses. Preadsorbed H2O is found to have a negligible effect on the NH3 desorption yield. Additionally, no NH3 is formed in the absence of surface hydroxyls (HObs) upon coadsorption of NO and H2O on a stoichiometric TiO2(110) (s-TiO2(110)). Based on these observations, we conclude that nitrogen from NO has a strong preference to react with HObs on the bridge-bonded oxygen rows (but not with H2O) to form NH3. The absolute NH3 yield is limited by competing reactions of HOb species with titanium-bound oxygen adatoms to form H2O. Our results provide new mechanistic insight about the interactions of NO with hydroxyl groups on TiO2(110) .

  14. Interfacial dislocations in (111) oriented (Ba0.7Sr0.3)TiO3 films on SrTiO3 single crystal

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

    Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; Kamo, Takafumi; Funakubo, Hiroshi; Wu, Di; Xin, Huolin L.; Su, Dong

    2015-10-08

    In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO3 films grown on (111)-oriented SrTiO3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrievedmore » the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba0.7Sr0.3)TiO3 films.« less

  15. Johnston LFG (MA RPS Biomass Facility | Open Energy Information

    Open Energy Info (EERE)

    LFG (MA RPS Biomass Facility Jump to: navigation, search Name Johnston LFG (MA RPS Biomass Facility Facility Johnston LFG (MA RPS Sector Biomass Facility Type Landfill Gas Location...

  16. Interface Architecture Determined Electrocatalytic Activity of Pt on Vertically Oriented TiO2 Nanotubes

    SciTech Connect (OSTI)

    R Rettew; N Allam; F Alamgir

    2011-12-31

    The surface atomic structure and chemical state of Pt is consequential in a variety of surface-intensive devices. Herein we present the direct interrelationship between the growth scheme of Pt films, the resulting atomic and electronic structure of Pt species, and the consequent activity for methanol electro-oxidation in Pt/TiO{sub 2} nanotube hybrid electrodes. X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) measurements were performed to relate the observed electrocatalytic activity to the oxidation state and the atomic structure of the deposited Pt species. The atomic structure as well as the oxidation state of the deposited Pt was found to depend on the pretreatment of the TiO{sub 2} nanotube surfaces with electrodeposited Cu. Pt growth through Cu replacement increases Pt dispersion, and a separation of surface Pt atoms beyond a threshold distance from the TiO{sub 2} substrate renders them metallic, rather than cationic. The increased dispersion and the metallic character of Pt results in strongly enhanced electrocatalytic activity toward methanol oxidation. This study points to a general phenomenon whereby the growth scheme and the substrate-to-surface-Pt distance dictates the chemical state of the surface Pt atoms, and thereby, the performance of Pt-based surface-intensive devices.

  17. A new 40 MA ranchero explosive pulsed power system

    SciTech Connect (OSTI)

    Goforth, James; Herrera, Dennis; Oona, Hank; Torres, David; Atchison, W L; Colgate, S A; Griego, J R; Guzik, J; Holtkamp, D B; Idzorek, G; Kaul, A; Kirkpatrick, R C; Menikoff, R; Reardon, P T; Reinovsky, R E; Rousculp, C L; Sgro, A G; Tabaka, L J; Tierney, T E; Watt, R G

    2009-01-01

    We are developing a new high explosive pulsed power (HEPP) system based on the 1.4 m long Ranchero generator which was developed in 1999 for driving solid density z-pinch loads. The new application requires approximately 40 MA to implode similar liners, but the liners cannot tolerate the 65 {micro}s, 3 MA current pulse associated with delivering the initial magnetic flux to the 200 nH generator. To circumvent this problem, we have designed a system with an internal start switch and four explosively formed fuse (EFF) opening switches. The integral start switch is installed between the output glide plane and the armature. It functions in the same manner as a standard input crowbar switch when armature motion begins, but initially isolates the load. The circuit is completed during the flux loading phase using post hole convolutes. Each convolute attaches the inner (coaxial) output transmission line to the outside of the outer coax through a penetration of the outer coaxial line. The attachment is made with the conductor of an EFF at each location. The EFFs conduct 0.75 MA each, and are actuated just after the internal start switch connects to the load. EFFs operating at these parameters have been tested in the past. The post hole convolutes must withstand as much as 80 kV at peak dl/dt during the Ranchero load current pulse. We describe the design of this new HEPP system in detail, and give the experimental results available at conference time. In addition, we discuss the work we are doing to test the upper current limits of a single standard size Ranchero module. Calculations have suggested that the generator could function at up to {approx}120 MA, the rule of thumb we follow (1 MA/cm) suggests 90 MA, and simple flux compression calculations, along with the {approx}4 MA seed current available from our capacitor bank, suggests 118 MA is the currently available upper limit.

  18. MA - Office of Management - Energy Conservation Plan

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

    MA Energy Conservation Plan January 2010 1 Office of Management Office-Level Energy Conservation Plan January 2010 I. BACKGROUND This energy conservation plan represents an effort to reduce energy consumption within Office of Management (MA) office spaces and to increase employee awareness of and participation in energy conservation measures. II. SCOPE The plan and procedures in this document apply to all Office of Management (MA) office suites in the Forrestal and Germantown Facilities as well

  19. MA Org Chart, March 22, 2016

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

    Rebecca Montoya, Dep. Director- Admin Svcs. Office of Administrative Management and Support Office of Logistics and Facility Operations Office Travel Management MA-45 Umeki Thorne, ...

  20. InThrMa | Open Energy Information

    Open Energy Info (EERE)

    Softwaremodeling tools User Interface: Website, Mobile Device Website: www.inthrma.com Web Application Link: www.inthrma.com Cost: Paid Language: English InThrMa Screenshot...

  1. Effect of specimen size on the fracture toughness of V-4Cr-4Ti

    SciTech Connect (OSTI)

    Kurtz, R.J.; Jones, R.H.; Li, Huaxin

    1996-04-01

    J-R curves were generated using the single specimen unload-compliance technique on four specimens of V-4Cr-4Ti to determine the effect of specimen dimensions on the fracture behavior. Ductile crack initiation and growth was observed in the 6.35 mm thick specimens but not in the 12.70 mm thick specimens. The J-R curves determined from these tests were not valid per ASTM validity criteria so quantitative measures of the resistance to ductile crack initiation and growth were not obtained. These data suggests that standard fracture toughness tests were performed with small-scale DCT specimens may also not be valid.

  2. DOE - Office of Legacy Management -- Tracerlab Inc - MA 11

    Office of Legacy Management (LM)

    Tracerlab Inc - MA 11 FUSRAP Considered Sites Site: TRACERLAB, INC. (MA.11 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 130 High Street , Boston , Massachusetts MA.11-1 Evaluation Year: 1987 MA.11-3 Site Operations: Research and development regarding uranium irradiation and cesium blocks during the early 1950s. MA.11-1 MA.11-3 Site Disposition: Eliminated - NRC licensed MA.11-2 MA.11-3 Radioactive Materials Handled: Yes

  3. Role of Water in Methanol Photochemistry on Rutile TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2012-08-07

    Photochemistry of the molecularly and dissociatively adsorbed forms of methanol on the vacuum-annealed rutile TiO2(110) surface was explored using temperature programmed desorption (TPD), both with and without coadsorbed water. Methoxy, and not methanol, was confirmed as the photochemically active form of adsorbed methanol on this surface. UV irradiation of methoxy-covered TiO2(110) lead to depletion of the methoxy coverage and formation of formaldehyde and a surface OH group. Coadsorbed water did not promote either molecular methanol photochemistry or thermal decomposition of methanol to methoxy. However, terminal OH groups (OHt), prepared by coadsorption of water and oxygen atoms, thermally converted molecularly adsorbed methanol to methoxy at 120 K, thus enabling photoactivity. While chemisorbed water molecules had no influence on methoxy photochemistry, water molecules hydrogen-bonded in the second layer to bridging oxygen (Obr) sites inhibited the methoxy photodecomposition to formaldehyde. From this we conclude that Obr sites accept protons from the hole-mediated conversion of methoxy to formaldehyde. These results provide new fundamental understanding of the hole-scavenging role of methanol in photochemical processes on TiO2-based materials and how water influences this photochemistry. This work was supported by the US Department of Energy, 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 under contract DEAC05-76RL01830. The research was performed using 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.

  4. 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.}

  5. Bioactive glass coatings with hydroxyapatite and Bioglass (registered) particles on Ti-based implants. 1. Processing

    SciTech Connect (OSTI)

    Gomez-Vega, J.M.; Saiz, E.; Tomsia, A.P.; Marshall, G.W.; Marshall, S.J.

    1999-06-01

    Silicate-based glasses with thermal expansion coefficients that match those of Ti6Al4V were prepared and used to coat Ti6Al4V by a simple enameling technique. Bioglass (BG) (registered) or hydroxyapatite (HA) particles were embedded on the coatings in order to enhance their bioactivity. HA particles were partially embedded during heating and remained firmly embedded on the coating after cooling. There was no apparent reaction at the glass/HA interface at the temperatures used in this work (800-840 degrees C). In contrast, BG particles softened and some infiltration into the glass coating took place during heat treatment. In this case, particles with sizes over 45 (mu)m were required, otherwise the particles became hollow due to the infiltration and crystallization of the glass surface. The concentration of the particles on the coating was limited to 20% of surface coverage. Concentrations above this value resulted in cracked coatings due to excessive induced stress. Cracks did not prop agate along the interfaces when coatings were subjected to Vickers indentation tests, indicating that the particle/glass and glass/metal interfaces exhibited strong bonds. Enameling, producing excellent glass/metal adhesion with well-attached bioactive particles on the surface, is a promising method of forming reliable and lasting implants which can endure substantial chemical and mechanical stresses.

  6. Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)

    SciTech Connect (OSTI)

    Henderson, Michael A.; Lyubinetsky, Igor

    2013-06-12

    The field of heterogeneous photocatalysis has grown considerably in the decades since Fujishima and Honda's ground-breaking publications of photoelectrochemistry on TiO2. Numerous review articles continue to point to both progress made in the use of heterogeneous materials (such as TiO2) to perform photoconversion processes, and the many opportunities and challenges in heterogeneous photocatalysis research such as solar energy conversion and environmental remediation. The past decade has also seen an increase in the use of molecular-level approaches applied to model single crystal surfaces in an effort to obtain new insights into photocatalytic phenomena. In particular, scanning probe techniques (SPM) have enabled researchers to take a nanoscale approach to photocatalysis that includes interrogation of the reactivities of specific sites and adsorbates on a model photocatalyst surface. The rutile TiO2(110) surface has become the prototypical oxide single crystal surface for fundamental studies of many interfacial phenomena. In particular, TiO2(110) has become an excellent model surface for probing photochemical and photocatalytic reactions at the molecular level. A variety of experimental approaches have emerged as being ideally suited for studying photochemical reactions on TiO2(110), including desorption-oriented approaches and electronic spectroscopies, but perhaps the most promising techniques for evaluating site-specific properties are those of SPM. In this review, we highlight the growing use of SPM techniques in providing molecular-level insights into surface photochemistry on the model photocatalyst surface of rutile TiO2(110). Our objective is to both illustrate the unique knowledge that scanning probe techniques have already provided the field of photocatalysis, and also to motivate a new generation of effort into the use of such approaches to obtain new insights into the molecular level details of photochemical events occurring at interfaces. Discussion

  7. Imaging Hindered Rotations of Alkoxy Species on TiO2(110)

    SciTech Connect (OSTI)

    Zhang, Zhenrong; Rousseau, Roger J.; Gong, Jinlong; Kay, Bruce D.; Dohnalek, Zdenek

    2009-12-16

    We present the first study of the rotational dynamics of organic species on any oxide surface. Specifically, variable-temperature scanning tunneling microscopy (STM) and dispersion-corrected density functional theory are used to study the alkyl chain conformational disorder and dynamics of 1-, 2-, 3- and 4-octoxy on rutile TiO2(110). Initially, the geminate pairs of the octoxy and bridging hydroxyl species are created via octanol dissociation on bridging-oxygen (Ob) vacancy defects. The STM images provide time averaged snapshots of octoxy species rotating among multiple energetically nearly-degenerate configurations accessible at a given temperature. In the calculations we find that the underlying corrugated potential energy surface is a result of the interplay between attractive Van der Waals dispersion forces leading to weak attractive C...Ti and repulsive C...Ob interactions which lead to large barriers of 50-70kJmol-1 for the rotation of the octoxy alkyl chains across the Ob rows. In the presence of the germinal hydroxyl groups we find that the relative populations of the various conformations as well as the rotational barriers are perturbed by the presence of geminate hydroxyl due to additional C...hydroxyl repulsions.

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

    SciTech Connect (OSTI)

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

    2010-01-01

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

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

    SciTech Connect (OSTI)

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

    2013-02-15

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

  10. Epitaxial c-axis oriented BaTiO{sub 3} thin films on SrTiO{sub 3}-buffered Si(001) by atomic layer deposition

    SciTech Connect (OSTI)

    Ngo, Thong Q.; McDaniel, Martin D.; Ekerdt, John G., E-mail: ekerdt@che.utexas.edu [Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Posadas, Agham B.; Demkov, Alexander A. [Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States); Hu, Chengqing; Yu, Edward T. [Department of Electrical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Bruley, John [IBM Research Division, Yorktown Heights, New York 10593 (United States)

    2014-02-24

    Atomic layer deposition (ALD) of epitaxial c-axis oriented BaTiO{sub 3} (BTO) on Si(001) using a thin (1.6?nm) buffer layer of SrTiO{sub 3} (STO) grown by molecular beam epitaxy is reported. The ALD growth of crystalline BTO films at 225??C used barium bis(triisopropylcyclopentadienyl), titanium tetraisopropoxide, and water as co-reactants. X-ray diffraction (XRD) reveals a high degree of crystallinity and c-axis orientation of as-deposited BTO films. Crystallinity is improved after vacuum annealing at 600??C. Two-dimensional XRD confirms the tetragonal structure and orientation of 720-nm thick films. The effect of the annealing process on the BTO structure is discussed. A clean STO/Si interface is found using in-situ X-ray photoelectron spectroscopy and confirmed by cross-sectional scanning transmission electron microscopy. The capacitance-voltage characteristics of 720?nm-thick BTO films are examined and show an effective dielectric constant of ?660 for the heterostructure.

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

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

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

    2014-09-26

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

  12. In-operando hard X-ray photoelectron spectroscopy study on the impact of current compliance and switching cycles on oxygen and carbon defects in resistive switching Ti/HfO{sub 2}/TiN cells

    SciTech Connect (OSTI)

    Sowinska, Malgorzata Bertaud, Thomas; Walczyk, Damian; Calka, Pauline; Walczyk, Christian; Thiess, Sebastian; Alff, Lambert; Schroeder, Thomas

    2014-05-28

    In this study, direct experimental materials science evidence of the important theoretical prediction for resistive random access memory (RRAM) technologies that a critical amount of oxygen vacancies is needed to establish stable resistive switching in metal-oxide-metal samples is presented. In detail, a novel in-operando hard X-ray photoelectron spectroscopy technique is applied to non-destructively investigates the influence of the current compliance and direct current voltage sweep cycles on the Ti/HfO{sub 2} interface chemistry and physics of resistive switching Ti/HfO{sub 2}/TiN cells. These studies indeed confirm that current compliance is a critical parameter to control the amount of oxygen vacancies in the conducting filaments in the oxide layer during the RRAM cell operation to achieve stable switching. Furthermore, clear carbon segregation towards the Ti/HfO{sub 2} interface under electrical stress is visible. Since carbon impurities impact the oxygen vacancy defect population under resistive switching, this dynamic carbon segregation to the Ti/HfO{sub 2} interface is suspected to negatively influence RRAM device endurance. Therefore, these results indicate that the RRAM materials engineering needs to include all impurities in the dielectric layer in order to achieve reliable device performance.

  13. 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 ...

  14. The 300 mA SRF ERL

    SciTech Connect (OSTI)

    Ben-Zvi, Ilan

    2013-11-07

    Energy Recovery Linacs (ERL) are important for a variety of applications, from high-power Free-Electron Lasers (FEL) to polarized-electron polarized-proton colliders. The ERL current is arguably the most important characteristic of ERLs for such applications. With that in mind, the Collider-Accelerator Department at Brookhaven National Laboratory embarked on the development of a 300 mA ERL to serve as an R and D test-bed for high-current ERL technologies. These include high-current, extremely well damped superconducting accelerating cavities, high-current superconducting laser-photocathode electron guns and high quantum-efficiency photocathodes. In this presentation I will cover these ERL related developments.

  15. On the role of Fe ions on magnetic properties of doped TiO{sub 2} nanoparticles

    SciTech Connect (OSTI)

    Tolea, F.; Grecu, M. N. Kuncser, V.; Constantinescu, S. Gr.; Ghica, D.

    2015-04-06

    The role of iron doping on magnetic properties of hydrothermal anatase TiO{sub 2}:{sup 57}Fe (0–1 at. %) nanoparticles is investigated by combining superconducting quantum interference device magnetometry with Mössbauer and electron paramagnetic resonance techniques. The results on both as-prepared and thermally treated samples in reduced air atmosphere reveal complexity of magnetic interactions, in connection to certain iron ion electron configurations and defects (oxygen vacancies, F-center, and Ti{sup 3+} ions). The distribution of iron ions is predominantly at nanoparticle surface layers. Formation of weak ferromagnetic domains up to 380 K is mainly related to defects, supporting the bound magnetic polaron model.

  16. Temperature-programmed desorption study of NO reactions on rutile TiO2(110)-1×1

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

    Kim, Boseong; Dohnalek, Zdenek; Szanyi, Janos; Kay, Bruce D.; Kim, Yu Kwon

    2016-02-24

    In this study, systematic temperature-programmed desorption (TPD) studies of NO adsorption and reactions on rutile TiO2(110)-1 × 1 surface reveal several distinct reaction channels in a temperature range of 50–500 K. NO readily reacts on TiO2(110) to form N2O, which desorbs between 50 and 200 K (LT N2O channels), which leaves the TiO2 surface populated with adsorbed oxygen atoms (Oa) as a by-product of N2O formation. In addition, we observe simultaneous desorption peaks of NO and N2O at 270 K (HT1 N2O) and 400 K (HT2 N2O), respectively, both of which are attributed to reaction-limited processes. No N-derived reaction productmore » desorbs from TiO2(110) surface above 500 K or higher, while the surface may be populated with Oa's and oxidized products such as NO2 and NO3. The adsorbate-free TiO2 surface with oxygen vacancies can be regenerated by prolonged annealing at 850 K or higher. Detailed analysis of the three N2O desorption yields reveals that the surface species for the HT channels are likely to be various forms of NO dimers.« less

  17. Effect of cryogenic treatment on the plastic property of Ti-6Al-4V titanium alloy

    SciTech Connect (OSTI)

    Gu, K. X.; Wang, J. J.; Yuan, Z.; Zhang, H.; Li, Z. Q.; Zhao, B.

    2014-01-27

    The effect of cryogenic treatment on the plastic property of Ti-6Al-4V plate was studied in the present work. After cryogenic treatment, the low temperature temper at 180 ▭ was conducted in one of the groups and the results were compared with that of the untreated and cryotreated ones. The SLX series program controlled cryogenic equipment was used for the cryogenic treatment. The tensile tests were conducted by universal tensile testing machine and parameters of elongation and area reduction were used to evaluate plastic property. The scanning electron microscope was used to study the morphology of microstructure and fracture surface. The results show that after cryogenic treatment alone the elongation increased 10.6% and the area reduction increased 13.5% while the strength reduced to a small extent. Cryogenic treatment followed with low temperature temper increased the elongation and area reduction just by the extent of 4.7% and 9.5%. It means that the additional low temperature temper after cryogenic is not beneficial to the tensile properties of Ti-6Al-4V alloy. The examination of microstructure by scanning electron microscopy revealed that cryogenic treatment reduced the content of β phase particles which is the main reason for the improvement in plasticity.

  18. 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 ...

  19. Efficiency of clay-TiO2 nanocomposites on the photocatalytic eliminationof a model hydrophobic air pollutant

    SciTech Connect (OSTI)

    Kibanova, Daria; Cervini-Silva, Javiera; Destaillats, Hugo

    2009-01-01

    Clay-supported TiO2 photocatalysts can potentially improve the performance of air treatment technologies via enhanced adsorption and reactivity of target volatile organic compounds (VOCs). In this study, a bench-top photocatalytic flow reactor was used to evaluate the efficiency of hectorite-TiO2 and kaolinite-TiO2, two novel composite materials synthesized in our laboratory. Toluene, a model hydrophobic VOC and a common indoor air pollutant, was introduced in the air stream at realistic concentrations, and reacted under UVA (gamma max = 365 nm) or UVC (gamma max = 254 nm) irradiation. The UVC lamp generated secondary emission at 185 nm, leading to the formation of ozone and other short-lived reactive species. Performance of clay-TiO2 composites was compared with that of pure TiO2 (Degussa P25), and with UV irradiation in the absence of photocatalyst under identical conditions. Films of clay-TiO2 composites and of P25 were prepared by a dip-coating method on the surface of Raschig rings, which were placed inside the flow reactor. An upstream toluene concentration of ~;;170 ppbv was generated by diluting a constant flow of toluene vapor from a diffusion source with dry air, or with humid air at 10, 33 and 66percent relative humidity (RH). Toluene concentrations were determined by collecting Tenax-TA (R) sorbent tubes downstream of the reactor, with subsequent thermal desorption -- GC/MS analysis. The fraction of toluene removed, percentR, and the reaction rate, Tr, were calculated for each experimental condition from the concentration changes measured with and without UV irradiation. Use of UVC light (UV/TiO2/O3) led to overall higher reactivity, which can be partially attributed to the contribution of gas phase reactions by short-lived radical species. When the reaction rate was normalized to the light irradiance, Tr/I gamma, the UV/TiO2 reaction under UVA irradiation was more efficient for samples with a higher content of TiO2 (P25 and Hecto-TiO2), but not for Kao-Ti

  20. Effect of oxygen and oxidation on tensile properties of V-5Cr-5Ti alloy

    SciTech Connect (OSTI)

    Natesan, K.; Soppet, W.K.

    1995-09-01

    Oxidation studies were conducted on V-5Cr-5Ti alloy specimens in an air environment to evaluate the oxygen uptake behavior of the alloy as a function of temperature and exposure time. The oxidation rates calculated from parabolic kinetic measurements of thermogravimetric testing and confirmed by microscopic analyses of cross sections of exposed specimens were 5, 17, and 27 {mu}m per year after exposure at 300, 400, and 500{degrees}C, respectively. Uniaxial-tensile tests were conducted at room temperature and at 500C on preoxidized specimens of the alloy to examine the effects of oxidation and oxygen migration on tensile strength and ductility. Microstructural characteristics of several of the tested specimens were determined by electron optics techniques. Correlations were developed between tensile strength and ductility of the oxidized alloy and microstructural characteristics such as oxide thickness, depth of hardened layer, depth of intergranular fracture zone, and transverse crack length.

  1. Model for Analysis of Energy Demand (MAED-2) | Open Energy Information

    Open Energy Info (EERE)

    demand based on medium- to long-term scenarios of socio-economic, technological and demographic developments. " References "MAED 2" Retrieved from "http:en.openei.orgw...

  2. 1.1-J, 120-fs laser system based on Nd:glass-pumped Ti:sapphire

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

    15, 1996 / Vol. 21, No. 8 / OPTICS LETTERS 603 1.1-J, 120-fs laser system based on Nd : glass-pumped Ti : sapphire A. Sullivan, J. Bonlie, D. F. Price, and W. E. White Lawrence Livermore National Laboratory, L-251, 7000 East Avenue, Livermore, California 94550 Received September 26, 1995 We have developed an ultrashort-pulse laser system in which the f inal Ti : sapphire amplif ier stage is pumped by the frequency-doubled output of a Nd : glass laser. The laser produces pulses with an energy in

  3. The Effects of Pressure on the Laser Initiation of TiHx/KC104 and Other Pyrotechnics

    SciTech Connect (OSTI)

    Holy, John A; Girmann, Thomas C

    1987-03-01

    The ignition thresholds of TiHx/KC104, Mg/Teflon, and an A1-torch mix are measured as a function of gas pressure for ignition by 514.5 nm pulses from an argon ion laser. The TiHx/KC104 system in argon gas has three distinct pressure regimes. The thresholds are very high below about 0.3 MPa, decrease rapidly between 0.3 and 1.5 MPa, and decrease gradually and become constant between 1.5 and 7 MPa. Mg/Teflon and the A1-torch mix also have decreasing thresholds with increasing gas pressures and decreasing pellet densities. Ignition pulse lengths between 0.25 and 20 milliseconds at a spot diameter of 65 microns in the TiHx/KC104 system indicate that the thresholds are predominantly power, not energy, thresholds for pulses longer than one millisecond. The increase in threshold power below one millisecond is consistent with a calculated time to reach thermal equilibrium of 0.96 milliseconds. The effect of beam diameters between 40 and 175 microns on the TiHx/KC104 thresholds is consistent with ignitions occurring at approximately the same temperature at the center of the beam. TiHx/KC104 and Zr/KC104/Viton/Graphite pyrotechnics are also ignitied in sealed devices through sapphire windows. Ignition thresholds are comparable to those on open surfaces in pressures of 0.1 to 0.5 MPa which suggests that samples first decompose and ignite under a pocket of pressure. Ignition failures in TiHx/KC104 and in low density Zr/KC104/Viton/Graphite samples are attributed to increased porosity and/or gaps near the windows which allow reaction products to escape from the ignition zone.

  4. Effect of Ti-Al cathode composition on plasma generation and plasma transport in direct current vacuum arc

    SciTech Connect (OSTI)

    Zhirkov, I. Petruhins, A.; Dahlqvist, M.; Ingason, A. S.; Rosen, J.; Eriksson, A. O.

    2014-03-28

    DC arc plasma from Ti, Al, and Ti{sub 1-x}Al{sub x} (x?=?0.16, 0.25, 0.50, and 0.70) compound cathodes was characterized with respect to plasma chemistry and charge-state-resolved ion energy. Scanning electron microscopy, X-ray diffraction, and Energy-dispersive X-ray spectroscopy of the deposited films and the cathode surfaces were used for exploring the correlation between cathode-, plasma-, and film composition. Experimental work was performed at a base pressure of 10{sup ?6}?Torr, to exclude plasma-gas interaction. The plasma ion composition showed a reduction of Al of approximately 5 at. % compared to the cathode composition, while deposited films were in accordance with the cathode stoichiometry. This may be explained by presence of neutrals in the plasma/vapour phase. The average ion charge states (Ti?=?2.2, Al?=?1.65) were consistent with reference data for elemental cathodes, and approximately independent on the cathode composition. On the contrary, the width of the ion energy distributions (IEDs) were drastically reduced when comparing the elemental Ti and Al cathodes with Ti{sub 0.5}Al{sub 0.5}, going from??150 and ?175?eV to ?100 and ?75?eV for Ti and Al ions, respectively. This may be explained by a reduction in electron temperature, commonly associated with the high energy tail of the IED. The average Ti and Al ion energies ranged between ?50 and ?61?eV, and ?30 and ?50?eV, respectively, for different cathode compositions. The attained energy trends were explained by the velocity rule for compound cathodes, which states that the most likely velocities of ions of different mass are equal. Hence, compared to elemental cathodes, the faster Al ions will be decelerated, and the slower Ti ions will be accelerated when originating from compound cathodes. The intensity of the macroparticle generation and thickness of the deposited films were also found to be dependent on the cathode composition. The presented results may be of importance for choice of

  5. Copper deposition on TiO{sub 2} from copper(II)hexafluoroacetylacetonate

    SciTech Connect (OSTI)

    Rayner, David G.; Mulley, James S.; Bennett, Roger A.

    2013-01-15

    The authors have studied the adsorption of Cu{sup II}(hfac){sub 2} on the surface of a model oxide system, TiO{sub 2}(110), and probed the molecular stability with respect to thermal cycling, using atomic scale imaging by scanning tunneling microscopy supported by x-ray photoemission spectroscopy. They find that at 473 K, the adsorbed metal-organic molecules begin to dissociate and release Cu atoms which aggregate and form Cu nanoparticles. These Cu nanoparticles ripen over time and the size (height) distribution develops into a bimodal distribution. Unlike other organometallic systems, which show a bimodal distribution due to enhanced nucleation or growth at surface step edges, the nanoparticles do not preferentially form at steps. The reduced mobility of the Cu islands may be related to the co-adsorbed ligands that remain in very small clusters on the surface.

  6. Photocatalytic and antibacterial properties of Au-TiO{sub 2} nanocomposite on monolayer graphene: From experiment to theory

    SciTech Connect (OSTI)

    He, Wangxiao; Huang, Hongen; Yan, Jin; Zhu, Jian; The Key Laboratory of Biomedical Information Engineering of Ministry of Education, Xi'an Jiaotong University, Xi'an 710049

    2013-11-28

    The formation of the Au-TiO{sub 2} nanocomposite on monolayer Graphene (GTA) by sequentially depositing titanium dioxide particles and gold nanoparticles on graphene sheet was synthesized and analyzed in our work. The structural, morphological, and physicochemical properties of samples were thoroughly investigated by UV-Vis spectrophotometer, Raman spectroscopy, Fourier transform infrared spectroscopy, atomic force microscopy, scanning electron microscope, and transmission electron microscope. Photocatalytic performance of GTA, graphene (GR), TiO{sub 2,} and TiO{sub 2} -graphene nanocomposite (GT) were comparatively studied for degradation of methyl orange, and it was found that GTA had highest performance among all samples. More importantly, antibacterial performance of this novel composite against Gram-positive bacteria, Gram-negative bacteria, and fungus was predominant compared to GR, TiO{sub 2}, and GT. And the result of biomolecules oxidation tests suggested that antimicrobial actions were contributed by oxidation stress on both membrane and antioxidant systems. Besides, the rate of two decisive processes during photocatalytic reaction, the rate of the charge transfer (k{sub CT}) and the rate of the electron-hole recombination (k{sub R}) have been studied by Perturbation theory, Radiation theory, and Schottky barrier theory. Calculation and derivation results show that GTA possesses superior charge separation and transfer rate, which gives an explanation for the excellent oxidation properties of GTA.

  7. 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.

  8. MA Org Chart, June 2 Rev. 1, 2016

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

    MA-1 Ingrid Kolb, Director Laurie Morman, Chief of Staff Office of Resource Management and Planning MA-1.1 Marilyn Dillon, Director Sandra Hersh, Dep. Director Office of Scheduling and Advance Charles Quintero, Director MA-10 MA-70 Office of Executive Secretariat Amy B. Demagistris, Director Office of Policy Analysis Michael Coogan Office of Correspondence Management Steven Johnsen MA-72 Administration, MIS, and Executive Commitments Group Shena Kennerly MA-74 Office of History and Archives

  9. DOE - Office of Legacy Management -- Woburn Landfill - MA 07

    Office of Legacy Management (LM)

    Woburn Landfill - MA 07 FUSRAP Considered Sites Site: Woburn Landfill (MA.07) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Woburn , Massachusetts MA.07-2 Evaluation Year: 1987 MA.07-6 Site Operations: The National Lead Company, Inc. disposed of approximately fifty 55-gallon drums of low grade uranium ore in at this site in 1960. MA.07-2 MA.07-4 Site Disposition: Eliminated - Conditions determined meet applicable requirements

  10. PARS II Enhancements - Igor Pedan, MA-63 | Department of Energy

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

    Enhancements - Igor Pedan, MA-63 PARS II Enhancements - Igor Pedan, MA-63 2014 DOE Project Management Workshop PDF icon 28PedanPARSII Enhancements.pdf More Documents & ...

  11. MaRIE: An experimental facility concept revolutionizing materials...

    Office of Scientific and Technical Information (OSTI)

    MaRIE: An experimental facility concept revolutionizing materials in extremes Citation Details In-Document Search Title: MaRIE: An experimental facility concept revolutionizing...

  12. El Ma Electronic Machining srl | Open Energy Information

    Open Energy Info (EERE)

    Ma Electronic Machining srl Jump to: navigation, search Name: El.Ma. Electronic Machining srl Place: Riva del Garda (TN), Italy Zip: 38066 Sector: Hydro, Hydrogen, Solar, Wind...

  13. MaRIE theory, modeling and computation roadmap executive summary...

    Office of Scientific and Technical Information (OSTI)

    Conference: MaRIE theory, modeling and computation roadmap executive summary Citation Details In-Document Search Title: MaRIE theory, modeling and computation roadmap executive ...

  14. In situ synthesis of TiH{sub 2} layer on metallic titanium foil through gaseous hydrogen free acid-hydrothermal method

    SciTech Connect (OSTI)

    Ren, Na; Wang, Guancong; Liu, Hong; Ohachi, Tadashi

    2014-02-01

    Graphical abstract: The reaction mechanism for in situ synthesizing TiH{sub 2} layer on titanium foil by a gaseous hydrogen free acid-hydrothermal methodology. - Highlights: • A dense TiH{sub 2} layer is synthesized by a hydrogen free acid-hydrothermal method. • Hydrogen in a TiH{sub 2} layer synthesized can release at low temperature. • During the dehydrogenation process, there is no any intermediate phase forming. • We report a method of low-cost, low-risk and convenience toward productive TiH{sub 2}. - Abstract: A novel strategy for synthesis of TiH{sub 2} layer on surface of metallic titanium by using an acid-hydrothermal method was proposed. During the synthesis process, no any elemental hydrogen was involved. X-ray powder diffraction, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy results confirmed that a TiH{sub 2} layer of 20 μm thickness on a Ti foil surface can be formed in situ by an interface reaction of metallic titanium with sulfuric acid solution, hydrochloric acid, or phosphoric acid, which is a hydrogen self-storage process. By tuning reaction parameters, for example, concentration of acid, composition and morphology of TiH{sub 2}-Ti hybrid materials can be adjusted. The TiH{sub 2} layer on a metallic titanium surface can be decompounded completely heated below 400 °C. This convenient, safe and low-cost method is a promising gaseous hydrogen free approach for the synthesis of hydride-based hydrogen storage materials.

  15. US NE MA Site Consumption

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

    the U.S. However, spending on electricity is closer to the national average due to higher prices in New England. CONSUMPTION BY END USE Since the weather in Massachusetts and New ...

  16. Wettability of brazing alloys on molybdenum and TZM (Mo-Ti-Zr alloy)

    SciTech Connect (OSTI)

    McDonald, M.M.; Keller, D.L.; Heiple, C.R.; Hofmann, W.E.

    1988-01-01

    Vacuum brazing studies have been performed on molybdenum and TZM (0.5Ti-0.08Zr-Mo). Wettability tests have been conducted for nineteen braze metal filler alloys on molybdenum and thirty-two braze metal filler alloys on TZM over a wide range of temperatures. A wetting index, which is a function of contact angle and braze alloy contact area, was determined for each filler alloy at each brazing temperature. The nature and extent of interaction between the brazing alloys and the base metals was analyzed by conventional metallography, scanning-electron microscopy, and electron microprobe analysis. A comparison is made between the behavior of filler alloys on molybdenum and TZM -- filler alloys consistently exhibited less wettability on TZM than on molybdenum. The lower wettability of TZM is believed to be due to a small amount of titanium in the surface oxide on TZM. Cracking was observed in the base metal under some of the high temperature braze deposits. The cracking is shown to arise from liquid metal embrittlement from nickel in the high temperature braze alloys. 7 refs., 11 figs., 2 tabs.

  17. 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.

  18. Enhanced performance of dye-sensitized solar cells based on TiO{sub 2} with NIR-absorption and visible upconversion luminescence

    SciTech Connect (OSTI)

    Liang, Li; Yulin, Yang; Mi, Zhou; Ruiqing, Fan; LeLe, Qiu; Xin, Wang; Department of Food and Environmental Engineering, Heilongjiang, East University, Harbin 150086 ; Lingyun, Zhang; School of Chemical Engineering, Northeast Dianli University, Jilin 132012 ; Xuesong, Zhou; Jianglong, He

    2013-02-15

    TiO{sub 2} with NIR-absorption and visible upconversion luminescence (UC-TiO{sub 2}) is prepared by a sol-gel method and calcined at 700 Degree-Sign C for 6 h. The material broadens the response region of dye sensitized solar cells (DSSCs) from an ultraviolet-visible region to the whole region of the solar spectrum. It shifts NIR sunlight to visible light which matches the strong absorbing region of the dye (N719). DSSCs based on UC-TiO{sub 2} achieved higher conversion efficiency than that on raw TiO{sub 2}. UC-TiO{sub 2} was mixed with commercial raw TiO{sub 2} as additive, and the short-circuit current density, open-circuit voltage and conversion efficiency of the DSSC reached to the optimum values 13.38 mA/cm{sup 2}, 0.78 V and 6.63% (AM1.5 global), comparing with the blank values: 7.99 mA/cm{sup 2}, 0.75 V and 4.07%, respectively. Also the mechanisms of upconversion by multiphoton absorption and energy transfer processes are interpreted in this paper. - Graphical abstract: By introducing TiO{sub 2} with NIR-absorption and visible up-conversion luminescence into DSSC, a signal reflection was explored from ultra-violet region to visible region, and to near-IR region. Highlights: Black-Right-Pointing-Pointer TiO{sub 2} with NIR-absorption and visible up-conversion luminescence (UC-TiO{sub 2}) was prepared by a sol-gel method. Black-Right-Pointing-Pointer A systematic characterization and analysis was carried out to discuss the mechanism. Black-Right-Pointing-Pointer A significantly enhanced performance of DSSC was explored by using UC-TiO{sub 2} as an additive.

  19. MaRIE Undulator & XFEL Systems

    SciTech Connect (OSTI)

    Nguyen, Dinh Cong; Marksteiner, Quinn R.; Anisimov, Petr Mikhaylovich; Buechler, Cynthia Eileen

    2015-03-23

    The 22 slides in this presentation treat the subject under the following headings: MaRIE XFEL Performance Parameters, Input Electron Beam Parameters, Undulator Design, Genesis Simulations, Risks, and Summary It is concluded that time-dependent Genesis simulations show the MaRIE XFEL can deliver the number of photons within the required bandwidth, provided a number of assumptions are met; the highest risks are associated with the electron beam driving the XFEL undulator; and risks associated with the undulator and/or distributed seeding technique may be evaluated or retired by performing early validation experiments.

  20. Effect of nitrogen-doping temperature on the structure and photocatalytic activity of the B,N-doped TiO{sub 2}

    SciTech Connect (OSTI)

    Zhou, Xiaosong; Peng, Feng; Wang, Hongjuan; Yu, Hao; Yang, Jian

    2011-01-15

    B,N-TiO{sub 2} photocatalysts were synthesized by boron doping firstly and subsequently nitrogen doping in NH{sub 3} at variable temperatures. The effects of the nitrogen doping temperature on the structure and photocatalytic activity of the B,N-codoped TiO{sub 2} were investigated. The as-prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-vis diffuse reflectance spectrum (DRS), electron paramagnetic resonance (EPR) and X-ray photoelectron spectroscopy (XPS). The photocatalytic activity was evaluated with photocatalytic degradation of methyl orange dye (MO) under visible light and UV-visible light irradiation. The results suggested that the boron and nitrogen can be incorporated into the TiO{sub 2} lattice either interstitially or substitutionally or both, while the Ti-O-B-N structure plays a vital role in photocatalytic activity in visible light region. The optimal nitrogen doping temperature is 550 {sup o}C. Higher temperature may form many oxygen vacancies and Ti{sup 3+} species, resulting in the decrease of photocatalytic activity in visible light. -- Graphical abstract: The changes of photocatalytic activity of B,N-TiO{sub 2} with variable nitrogen doping temperatures are attributed to the transformation of surface structure and oxygen vacancies, and the Ti-O-B-N structure plays a vital role in photocatalytic activity under visible light irradiation. Display Omitted Research highlights: > B,N-TiO{sub 2} photocatalysts are synthesized by boron doping firstly and subsequently nitrogen doping in NH{sub 3} at variable temperatures. > The boron and nitrogen can be incorporated into the TiO{sub 2} lattice either interstitially or substitutionally or both. > The temperature of nitrogen doping affects the transformation of surface structure and oxygen vacancies. > The Ti-O-B-N structure plays an important role in photocatalytic activity under visible light irradiation.

  1. Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)

    SciTech Connect (OSTI)

    Acharya, Danda P.; Yoon, Yeohoon; Li, Zhenjun; Zhang, Zhenrong; Lin, Xiao; Mu, Rentao; Chen, Long; Kay, Bruce D.; Rousseau, Roger J.; Dohnalek, Zdenek

    2013-11-26

    The conversion of diols on partially reduced TiO2(110) at low coverage was studied using variable-temperature scanning tunneling microscopy, temperature programmed desorption and density functional theory calculations. We find, that below ~230 K, ethane-1,2-diol and propane-1,3-diol molecules adsorb predominantly on five-fold coordinated Ti5c atoms. The dynamic equilibrium between molecularly bound and dissociated species resulting from O-H bond scission and reformation is observed. As the diols start to diffuse on the Ti5c rows above ~230 K, they dissociate irreversibly upon encountering bridging oxygen (Ob) vacancy (VOs) defects. Two dissociation pathways, one via O-H and the other via C-O bond scission leading to identical surface intermediates, hydroxyalkoxy, Ob-(CH2)n-OH (n = 2, 3) and bridging hydroxyl, HOb, are seen. For O-H bond scission, the Ob-(CH2)n-OH is found on the position of the original VO, while for C-O scission it is found on the adjacent Ob site. Theoretical calculations suggest that the observed mixture of C-O/O-H bond breaking processes are a result of the steric factors enforced upon the diols by the second OH group that is bound to a Ti5c site. At room temperature, rich dissociation/reformation dynamics of the second, Ti5c-bound O-H leads to the formation of dioxo, Ob-(CH2)n-OTi, species. Above ~400 K, both Ob-(CH2)n-OH and Ob-(CH2)n-OTi species convert into a new intermediate, that is centered on Ob row. Combined experimental and theoretical evidence shows that this intermediate is most likely a new dioxo, Ob-(CH2)2-Ob, species. Further annealing leads to sequential C-Ob bond cleavage and alkene desorption above ~ 500 K. Simulations find that the sequential C-O bond breaking process follows a homolytic diradical pathway with the first C-O bond breaking event accompanied by a non-adiabatic electron transfer within the TiO2(110) substrate.

  2. Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)

    SciTech Connect (OSTI)

    Migani, Annapaola; Mowbray, Duncan J.; Iacomino, Amilcare; Zhao, Jin; Petek, Hrvoje

    2013-08-07

    Photocatalytic activity depends on the optimal alignment of electronic levels at the molecule? semiconductor interface. Establishing the level alignment experimentally is complicated by the uncertain chemical identity of the surface species. We address the assignment of the occupied and empty electronic levels for the prototypical photocatalytic system consisting of methanol on a rutile TiO2(110) surface. Using many-body quasiparticle (QP) techniques, we show that the frontier levels measured in UV photoelectron and two-photon photoemission spectroscopy experiments can be assigned to molecularly chemisorbed methanol rather than its dissociated product, the methoxy species. We find that the highest occupied molecular orbital of the methoxy species is much closer to the valence band maximum, suggesting why it is more photocatalytically active than the methanol molecule. We develop a general semiquantitative model for predicting many-body QP energies based on the electronic screening within the bulk, molecular, or vacuum regions of the wave functions at molecule?semiconductor interfaces.

  3. Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs

    SciTech Connect (OSTI)

    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 density 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.

  4. The adsorption of α-cyanoacrylic acid on anatase TiO{sub 2} (101) and (001) surfaces: A density functional theory study

    SciTech Connect (OSTI)

    Ma, Jin-Gang; Gong, Ji-Jun; Zhang, Hai-Min; Wang, Wei; Zhang, Cai-Rong Chen, Yu-Hong; Yang, Bing; Wu, You-Zhi; Chen, Hong-Shan

    2014-12-21

    The adsorption of α-cyanoacrylic acid (CAA) on anatase TiO{sub 2} (101) and (001) surfaces, including adsorption energies, structures, and electronic properties, have been studied by means of density functional theory calculations in connection with ultrasoft pseudopotential and generalized gradient approximation based upon slab models. The most stable structure of CAA on anatase TiO{sub 2} (101) surface is the dissociated bidentate configuration where the cyano N and carbonyl O bond with two adjacent surface Ti atoms along [010] direction and the dissociated H binds to the surface bridging O which connects the surface Ti bonded with carbonyl O. While for the adsorption of CAA on (001) surface, the most stable structure is the bidentate configuration through the dissociation of hydroxyl in carboxyl moiety. The O atoms of carboxyl bond with two neighbor surface Ti along [100] direction, and the H from dissociated hydroxyl interacts with surface bridging O, generating OH species. The adsorption energies are estimated to be 1.02 and 3.25 eV for (101) and (001) surfaces, respectively. The analysis of density of states not only suggests the bonds between CAA and TiO{sub 2} surfaces are formed but also indicates that CAA adsorptions on TiO{sub 2} (101) and (001) surfaces provide feasible mode for photo-induced electron injection through the interface between TiO{sub 2} and CAA. This is resulted from that, compared with the contribution of CAA orbitals in valence bands, the conduction bands which are mainly composed of Ti 3d orbitals have remarkable reduction of the component of CAA orbitals.

  5. DOE - Office of Legacy Management -- Manufacturing Laboratories Inc - MA

    Office of Legacy Management (LM)

    0-04 Manufacturing Laboratories Inc - MA 0-04 FUSRAP Considered Sites Site: MANUFACTURING LABORATORIES, INC. (MA.0-04 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 272 Northampton Street , Boston , Massachusetts MA.0-04-1 Evaluation Year: 1987 MA.0-04-3 Site Operations: Developed a process for making projectiles from depleted uranium during the early 1950s. MA.0-04-3 Site Disposition: Eliminated - Potential for

  6. Recyclability study on Inconel 718 and Ti-6Al-4V powders for use in electron beam melting

    SciTech Connect (OSTI)

    Nandwana, Peeyush; Peter, William H.; Lowe, Larry E.; Dehoff, Ryan R.; Medina, Francisco; Babu, Sudarsanam Suresh; Kirka, Michael M.

    2015-10-20

    In this study, powder bed based additive manufacturing technologies offer a big advantage in terms of reusability of the powders over multiple cycles that result in cost savings. However, currently there are no standards to determine the factors that govern the powder reuse times. This work presents the results from a recyclability study conducted on Inconel 718 and Ti-6Al-4V powders. It has been found that the Inconel 718 powders are chemically stable over a large number of cycles and their reuse time is limited by physical characteristics of powders such as flowability. 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.

  7. Recyclability study on Inconel 718 and Ti-6Al-4V powders for use in electron beam melting

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

    Nandwana, Peeyush; Peter, William H.; Lowe, Larry E.; Dehoff, Ryan R.; Medina, Francisco; Babu, Sudarsanam Suresh; Kirka, Michael M.

    2015-10-20

    In this study, powder bed based additive manufacturing technologies offer a big advantage in terms of reusability of the powders over multiple cycles that result in cost savings. However, currently there are no standards to determine the factors that govern the powder reuse times. This work presents the results from a recyclability study conducted on Inconel 718 and Ti-6Al-4V powders. It has been found that the Inconel 718 powders are chemically stable over a large number of cycles and their reuse time is limited by physical characteristics of powders such as flowability. Ti-6Al-4V, on the other hand, finds its reusemore » time governed by the oxygen pick up that occurs during and in between build cycles. The detailed results have been presented.« less

  8. Nano-crystalline thin and nano-particulate thick TiO{sub 2} layer: Cost effective sequential deposition and study on dye sensitized solar cell characteristics

    SciTech Connect (OSTI)

    Das, P.; Sengupta, D.; Kasinadhuni, U.; Mondal, B.; Mukherjee, K.

    2015-06-15

    Highlights: • Thin TiO{sub 2} layer is deposited on conducting substrate using sol–gel based dip coating. • TiO{sub 2} nano-particles are synthesized using hydrothermal route. • Thick TiO{sub 2} particulate layer is deposited on prepared thin layer. • Dye sensitized solar cells are made using thin and thick layer based photo-anode. • Introduction of thin layer in particulate photo-anode improves the cell efficiency. - Abstract: A compact thin TiO{sub 2} passivation layer is introduced between the mesoporous TiO{sub 2} nano-particulate layer and the conducting glass substrate to prepare photo-anode for dye-sensitized solar cell (DSSC). In order to understand the effect of passivation layer, other two DSSCs are also developed separately using TiO{sub 2} nano-particulate and compact thin film based photo-anodes. Nano-particles are prepared using hydrothermal synthesis route and the compact passivation layer is prepared by simply dip coating the precursor sol prepared through wet chemical route. The TiO{sub 2} compact layer and the nano-particles are characterised in terms of their micro-structural features and phase formation behavior. It is found that introduction of a compact TiO{sub 2} layer in between the mesoporous TiO{sub 2} nano-particulate layer and the conducting substrate improves the solar to electric conversion efficiency of the fabricated cell. The dense thin passivation layer is supposed to enhance the photo-excited electron transfer and prevent the recombination of photo-excited electrons.

  9. Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-11-03

    Molecular and dissociative methanol adsorption species were prepared on rutile TiO2(110) surfaces to study photocatalytic oxidation of methanol in ultrahigh vacuum (UHV) using temperature-programmed desorption (TPD). Adsorbed methoxy groups (CH3O-) were found to be the photoactive form of adsorbed methanol converted to adsorbed formaldehyde and a surface OH group by hole-mediated C-H bond cleavage. These results suggest that adsorbed methoxy is the effective hole scavenger in photochemical reactions involving methanol.

  10. Effects of double aging heat treatment on the microstructure, Vickers hardness and elastic modulus of Ti-Nb alloys

    SciTech Connect (OSTI)

    Lopes, E.S.N.; Cremasco, A.; Afonso, C.R.M.; Caram, R.

    2011-07-15

    Aging heat treatment can be a good way to optimize mechanical properties, changing the microstructure, and hence, the mechanical behavior of Ti alloys. The effects of aging heat treatments on {beta}-type Ti-30Nb alloy were investigated to evaluate the kinetics of {alpha}'' {yields} {alpha} + {beta} transformation. The results obtained from differential scanning calorimetry and high-temperature X-ray diffraction experiments indicated the complete decomposition of orthorhombic {alpha}'' phase at close to 300 deg. C, followed by {alpha} phase precipitation at 470 deg. C. The aging heat treatments also enabled us to observe a transformation sequence {alpha}'' {yields} {beta} + {omega} {yields} {beta} + {omega} + {alpha}, indicating martensite decomposition and {omega} phase precipitation at 260 deg. C after 2 h, followed by {alpha} phase nucleation after heating at 400 deg. C for 1 h. The elastic modulus and Vickers hardness of Ti-30Nb alloy were found to be very sensitive to the microstructural changes caused by heat treatment. - Highlights: {yields} DSC and XRD shed light on the {alpha}'' decomposition and nucleation of {omega} and {alpha} phases. {yields} Aging allows for {alpha}''{yields}{beta} transformation and nucleation of {omega} dispersed in the {beta} matrix. {yields} During aging, {alpha}'' interplanar distances are reduced to enable {beta} phase nucleation. {yields} Mechanical behavior is dependent on the microstructure and the phases in the alloy. {yields} It is not possible to obtain high strength and low elastic modulus by applying aging.

  11. Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-08-02

    The competitive interaction between acetone and two solvent molecules (methanol and water) for surface sites on rutile TiO2(110) was studied using temperature programmed desorption (TPD). On a vacuum reduced TiO2(110) surface, which possessed ~5% oxygen vacancy sites, excess methanol displaced preadsorbed acetone molecules to weakly bound and physisorbed desorption states below 200 K, whereas acetone was stabilized to 250 K against displacement by methanol on an oxidized surface through formation of an acetone-diolate species. These behaviors of acetone differ from the competitive interactions between acetone and water in that acetone is less susceptible to displacement by water. Examination of acetone+methanol and acetone+water multilayer combinations shows that acetone is more compatible in water-ice films than in methanol-ice films, presumably because water has greater potential as a hydrogen-bond donor than does methanol. Acetone molecules displaced from the TiO2(110) surface by water are more likely to be retained in the near-surface region, having a greater opportunity to revisit the surface, than when methanol is used as a coadsorbate. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  12. LaCrO3 heteroepitaxy on SrTiO3(001) by molecular beam epitaxy

    SciTech Connect (OSTI)

    Qiao, Liang; Droubay, Timothy C.; Bowden, Mark E.; Shutthanandan, V.; Kaspar, Tiffany C.; Chambers, Scott A.

    2011-08-09

    Stoichiometric, epitaxial LaCrO3 films have been grown on TiO2-terminated SrTiO3(001) substrates by molecular beam epitaxy using O2 as the oxidant. Film growth occurred in a layer-by-layer fashion, giving rise to structurally excellent films and surfaces which preserve the step-terrace structure of the substrate. The critical thickness is in excess of 500 . Near-surface Cr(III) is highly susceptible to further oxidation to Cr(V), leading to the formation of a disordered phase upon exposure to atomic oxygen. Recovery of the original epitaxial LaCrO3 phase is readily achieved by vacuum annealing.

  13. Chemical and structural effects on the high-temperature mechanical behavior of (1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Deluca, Marco; Picht, Gunnar; Hoffmann, Michael J.; Rechtenbach, Annett; Töpfer, Jörg; Schader, Florian H.; Webber, Kyle G.

    2015-04-07

    Bismuth sodium titanate–barium titanate [(1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3}, NBT-100xBT] is one of the most well studied lead-free piezoelectric materials due in large part to the high field-induced strain attainable in compositions near the morphotropic phase boundary (x = 0.06). The BaTiO{sub 3}-rich side of the phase diagram, however, has not yet been as comprehensively studied, although it might be important for piezoelectric and positive temperature coefficient ceramic applications. In this work, we present a thorough study of BaTiO{sub 3}-rich NBT-100xBT by ferroelastic measurements, dielectric permittivity, X-ray diffraction, and Raman spectroscopy. We show that the high-temperature mechanical behavior, i.e., above the Curie temperature, T{sub C}, is influenced by local disorder, which appears also in pure BT. On the other hand, in NBT-100xBT (x < 1.0), lattice distortion, i.e., tetragonality, increases, and this impacts both the mechanical and dielectric properties. This increase in lattice distortion upon chemical substitution is counterintuitive by merely reasoning on the ionic size, and is due to the change in the A-O bond character induced by the Bi{sup 3+} electron lone pair, as indicated by Raman spectroscopy.

  14. 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.

  15. Epitaxial single-crystal thin films of MnxTi1-xO2-? grown on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory

    SciTech Connect (OSTI)

    Ilton, Eugene S.; Droubay, Timothy C.; Chaka, Anne M.; Kovarik, Libor; Varga, Tamas; Arey, Bruce W.; Kerisit, Sebastien N.

    2015-02-01

    Epitaxial rutile-structured single-crystal MnxTi1-xO2-? films were synthesized on rutile- (110) and -(001) substrates using pulsed laser deposition. The films were characterized by reflection high-energy electron diffraction (RHEED), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and aberration-corrected transmission electron microscopy (ACTEM). Under the present conditions, 400oC and PO2 = 20 mTorr, single crystal epitaxial thin films were grown for x = 0.13, where x is the nominal average mole fraction of Mn. In fact, arbitrarily thick films could be grown with near invariant Mn/Ti concentration profiles from the substrate/film interface to the film surface. In contrast, at x = 0.25, Mn became enriched towards the surface and a secondary nano-scale phase formed which appeared to maintain the basic rutile structure but with enhanced z-contrast in the tunnels, or tetrahedral interstitial sites. Ab initio thermodynamic calculations provided quantitative estimates for the destabilizing effect of expanding the ?-MnO2 lattice parameters to those of TiO2-rutile, the stabilizing effect of diluting Mn with increasing Ti concentration, and competing reaction pathways.

  16. Surface Morphology and Topology of TiO{sub 2} Nanocoating on Metal Substrates at Different Molar Concentrations and Speed

    SciTech Connect (OSTI)

    Achoi, Mohd F.; Nor, Asiah M.; Abdullah, S.; Rusop, M.

    2011-03-30

    Mild steel is low carbon steel content of carbon less than 0.25 wt%. This type of steels is low cost to produce while has good toughness and outstanding ductility. Nanocoated mild steel surface is greatly many applications such as in automobile body component, pipelines, wall of operation's room and operation's theatre. Anatase TiO{sub 2} coating were successfully synthesized by optimize the sol-gel solution wherein glacial acetic acid and controlling of annealing temperature. In this paper initial study of TiO{sub 2} nanocoating on mild steel surface was presented. TiO{sub 2} nanocoating was prepared by spin coating technique. Spin coating technique is low processing temperature and ease of compositional modifications. The sol-gel concentration and speed (rpm) of spin coating were varied to produce different surface morphology and topology of samples. The surface phase, morphology and topology of coating were investigated by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Atomic Force Microscopy (AFM) while the roughness of coating was determined by Surface Profiler (SP).

  17. Properties of nano structured Ag-TiO{sub 2} composite coating on stainless steel using RF sputtering method

    SciTech Connect (OSTI)

    Bakar, S. Abu; Jamuna-Thevi, K.; Abu, N.; Mohd Toff, M. R.

    2012-07-02

    RF Sputtering system is one of the Physical Vapour Deposition (PVD) methods that have been widely used to produce hard coating. This technique is used to deposit thin layers of metallic substrates such as stainless steel (SS). From this process, a good adhesiveness and wear resistance coating can be produced for biomedical applications. In this study, RF sputtering method was used to deposit TiO{sub 2}-Ag composite coatings via various deposition parameters. The parameters are RF power of 350W, gas composition (Ar: O{sub 2}) 50:5 and deposition time at 1, 2, 4 and 6 hours. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and Raman spectroscopy were used to characterize surface area of coated samples. The formation of nanocrystalline thin film and the surface morphology were examined using SEM. The crystallite size of TiO{sub 2}-Ag composite coatings were estimated between 20-60 nm based on XRD analysis using Scherer equation and SEM evaluation. The Raman and XRD results suggested that the structure of the TiO{sub 2}-Ag consist of anatase and rutile phases. It also showed that the intensity of anatase peaks increased after samples undergone annealing process at 500 Degree-Sign C.

  18. Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO2(110)

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Kimmel, Gregory A.

    2015-09-16

    The formation of bridging hydroxyls (OHb) via reactions of water molecules with oxygen vacancies (VO) on reduced TiO2(110) surfaces is studied using infrared reflection-absorption spectroscopy (IRAS), electron-stimulated desorption (ESD), and photon-stimulated desorption (PSD). Narrow IRAS peaks at 2737 cm-1 and 3711 cm-1 are observed for stretching vibrations of ODb and OHb on TiO2(110), respectively. IRAS measurements with s- and p-polarized light demonstrate that the bridging hydroxyls are oriented normal to the (110) surface. The IR peaks disappear after the sample is exposed to O2 or annealed in the temperature range of 400 – 600 K (correlating with the temperature at which pairs of OHb’s reform water and then desorb), which is consistent with their identification as bridging hydroxyls. We have studied the kinetics of water reacting with the vacancies by monitoring the formation of bridging hydroxyls (using IRAS) as a function of the annealing temperature for a small amount of water initially dosed on the TiO2(110) at low temperature. Separate experiments have also monitored the loss of water molecules (using water ESD) and vacancies (using the CO photooxidation reaction) due to the reactions of water molecules with the vacancies. All three techniques show that the reaction rate becomes appreciable for T > 150 K and that the reactions largely complete for T > 250 K. The temperature-dependent water-VO reaction kinetics are consistent with a Gaussian distribution of activation energies with Ea = 0.545 eV, ΔEa(FWHM) = 0.125 eV, and a “normal” prefactor, v = 1012 s-1. In contrast, a single activation energy with a physically reasonable prefactor does not fit the data well. Our experimental activation energy is close to theoretical estimates for the diffusion of water molecules along the Ti5c rows on the reduced TiO2

  19. Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeOx–TiO2(110) surfaces: Effects of high ceria coverage

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

    Grinter, D. C.; Park, J. B.; Agnoli, S.; Evans, J.; Hrbek, J.; Stacchiola, D. J.; Senanayake, S. D.; Rodriguez, J. A.

    2016-08-01

    We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO2(110)-(1 × 1). For the other half of the surface, it comprised CeOx nanoparticles and reconstructed TiOx supported on TiO2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film and TiO2(110)-(1 × 1) areas,more » which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeOx/TiO2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO2(110) and Au/CeO2(111) systems. Finally, for Au/CeOx/TiO2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce3 + formed during WGS reaction conditions.« less

  20. Infrared spectroscopy study of adsorption and photodecomposition of formic acid on reduced and defective rutile TiO{sub 2} (110) surfaces

    SciTech Connect (OSTI)

    Mattsson, Andreas sterlund, Lars; Hu, Shuanglin; Hermansson, Kersti

    2014-11-01

    Adsorption and photodecomposition of formic acid on rutile TiO{sub 2} (110) have been investigated with infrared reflectionabsorption spectroscopy (IRRAS) employing p- and s-polarized light along the [001] and [11{sup }0] crystal directions. The single crystal surfaces were prepared either by sputtering and annealing in ultrahigh vacuum (UHV) to obtain a reduced surface (r-TiO{sub 2}), or by sputtering without annealing to create a rough, highly defective surface (sp-TiO{sub 2}). Results are compared with corresponding measurements on rutile nanocrystals performed in synthetic air. IRRAS spectra obtained on r-TiO{sub 2} and rutile nanocrystals are very similar, and show that in both cases formic acid dissociates and is predominately adsorbed as a bridging bidentate formate species, and that the formate adsorption structure on the nanocrystals is dominated by interactions with majority (110) surfaces. In contrast, the IRRAS spectra on sp-TiO{sub 2} are different, with only minor spectral features associated with (110) surfaces and lost azimuthal symmetry, both of which imply changed adsorption geometry due to bonding to low-coordinated Ti atoms with lower valences. The UV-induced rate of formate photodecomposition is about 30 times higher on rutile nanocrystals in synthetic air compared with sp-TiO{sub 2} under UHV conditions, and even larger than on r-TiO{sub 2}. These differences are explained by the lack of oxygen and limited hydroxyl coverage under UHV conditions. The difference in reactivity between the r-TiO{sub 2} and sp-TiO{sub 2} surfaces is attributed to a high concentration of strongly bonded bridging bidentate formate species on the (110) surface, which lowers its reactivity. The results point to a pressure gap where the availability of molecular oxygen and the hydroxyl concentration limit the photoreactivity in UHV leading to an almost 20-fold decrease of the formate degradation rate in UHV. In contrast, the structure represented by the single crystal

  1. Milling time and temperature dependence on Fe{sub 2}TiO{sub 5} nanoparticles synthesized by mechanical alloying method

    SciTech Connect (OSTI)

    Fajarin, R. Purwaningsih, H. Widyastuti, Susanti, D. Helmy, R. Kurnia

    2014-09-25

    Fe{sub 2}TiO{sub 5} is one type of titanate oxides which has M{sub x}Ti{sub y}O{sub z} crystal structure. It has various kinds of applications due to its electric and magnetic properties such as spintronics, electromagnetic devices, and gas sensor. In this study, Fe{sub 2}TiO{sub 5} nanoparticles were synthesized by simple mechanical alloying using planetary ball milling machine with various milling times and sintering temperatures. TiO{sub 2} and Fe{sub 2}O{sub 3} powders obtained from coprecipitation process were used as starting materials. The resulted Fe{sub 2}TiO{sub 5} powders were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Vibration Sample Magnetometer (VSM) in order to observe crystal quality, particles morphology, and magnetic properties respectively. As the milling time increases and the sintering temperature decreases, the crystal size of Fe{sub 2}TiO{sub 5} phase decreases. The smallest crystal size of the synthesized Fe{sub 2}TiO{sub 5} nanoparticles was ∼ 51 nm obtained by the milling time of 25 hours and sintering at 1100°C. The distribution of the resulted Fe{sub 2}TiO{sub 5} nanoparticles was not so homogeneous due to the appearance of small amount impurities. The VSM measurements show that a paramagnetic property was observed which should be analyzed more details on the low external magnetic fields.

  2. SE-MA-NO Electric Coop | Open Energy Information

    Open Energy Info (EERE)

    SE-MA-NO Electric Coop Jump to: navigation, search Name: SE-MA-NO Electric Coop Place: Missouri Phone Number: (417) 924-3291 Website: www.semano.com Facebook: https:...

  3. Alternating and direct current field effects on the structure-property relationships in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-x%BaTiO{sub 3} textured ceramics

    SciTech Connect (OSTI)

    Ge, Wenwei; Li, Jiefang; Viehland, D.; Maurya, Deepam; Priya, Shashank

    2013-06-03

    The influence of alternating (ac) and direct current (dc) fields on the structural and dielectric properties of [001]{sub PC} textured Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} (NBT-7%BT) ceramics has been investigated. X-ray diffraction measurements revealed that the depolarization at temperature T{sub d} in poled samples resulted from a tetragonal {yields} pseudo-cubic transition on heating. Moderate ac drive and dc bias had opposite influences on T{sub d}: ac drive decreased the T{sub d}, whereas dc bias increased it. These investigations suggested an effective method to expand the working temperature range of NBT-x%BT textured ceramics to a high temperature.

  4. Undoped TiO{sub 2} and nitrogen-doped TiO{sub 2} thin films deposited by atomic layer deposition on planar and architectured surfaces for photovoltaic applications

    SciTech Connect (OSTI)

    Tian, Liang Soum-Glaude, Adurey; Volpi, Fabien; Salvo, Luc; Berthomé, Grégory; Coindeau, Stéphane; Mantoux, Arnaud; Boichot, Raphaël; Lay, Sabine; Brizé, Virginie; Blanquet, Elisabeth; Giusti, Gaël; Bellet, Daniel

    2015-01-15

    Undoped and nitrogen doped TiO{sub 2} thin films were deposited by atomic layer deposition on planar substrates. Deposition on 3D-architecture substrates made of metallic foams was also investigated to propose architectured photovoltaic stack fabrication. All the films were deposited at 265 °C and nitrogen incorporation was achieved by using titanium isopropoxide, NH{sub 3} and/or N{sub 2}O as precursors. The maximum nitrogen incorporation level obtained in this study was 2.9 at. %, resulting in films exhibiting a resistivity of 115 Ω cm (+/−10 Ω cm) combined with an average total transmittance of 60% in the 400–1000 nm wavelength range. Eventually, TiO{sub 2} thin films were deposited on the 3D metallic foam template.

  5. DOE - Office of Legacy Management -- Nuclear Metals Inc - MA 09

    Office of Legacy Management (LM)

    Metals Inc - MA 09 FUSRAP Considered Sites Site: NUCLEAR METALS, INC. (MA.09) Eliminated from consideration under FUSRAP - Licensed facility - included in NRC action plan (Site Decommissioning Management Plan) in 1990 for cleanup Designated Name: Not Designated Alternate Name: None Location: 1555 Massachusetts Ave. , Cambridge , Massachusetts MA.09-2 Evaluation Year: 1987 MA.09-1 Site Operations: Produced natural uranium tubes for Savannah River reactor program and fabricated power reactor fuel

  6. Office of Information Resources (MA-90) | Department of Energy

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

    Resources (MA-90) Office of Information Resources (MA-90) Freedom of Information 2007 Annual Report Office of Information Resources (MA-90) (220.69 KB) More Documents & Publications ANNUAL FOIA REPORT FOR 2009 U.S. Department of Energy 2008 Annual FOIA Report Microsoft Word - 2005 FOIA ANNUAL REPORT.doc

  7. QER SECOND INSTALLMENT REGIONAL MEETING--BOSTON, MA | Department of Energy

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

    BOSTON, MA QER SECOND INSTALLMENT REGIONAL MEETING--BOSTON, MA MEETING DATE AND LOCATION Friday, April 15, 2016 Doors open: 8:30 AM; Program begins: 9:30 AM Marriott Long Wharf (Salons D, E, F, L) 296 State Street Boston, MA 02109 Watch the April 15th Boston regional meeting here. MEETING INFORMATION The U.S. Department of Energy Secretary Ernest Moniz and Dr. John P. Holdren, Director of the White House Office of Science will host a public stakeholder meeting on the second installment of the

  8. 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.

  9. Molecular and Dissociative Adsorption of Water on (TiO 2 ) n Clusters, n = 1–4

    SciTech Connect (OSTI)

    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 added 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

  10. Influence of the Al distribution on the structure, elastic properties, and phase stability of supersaturated Ti{sub 1-x}Al{sub x}N

    SciTech Connect (OSTI)

    Mayrhofer, P. H.; Music, D.; Schneider, J. M.

    2006-11-01

    Ti{sub 1-x}Al{sub x}N films and/or their alloys are employed in many industrial applications due to their excellent mechanical and thermal properties. Synthesized by plasma-assisted vapor deposition, Ti{sub 1-x}Al{sub x}N is reported to crystallize in the cubic NaCl (c) structure for AlN mole fractions below 0.4-0.91, whereas at larger Al contents the hexagonal ZnS-wurtzite (w) structure is observed. Here we use ab initio calculations to analyze the effect of composition and Al distribution on the metal sublattice on phase stability, structure, and elastic properties of c-Ti{sub 1-x}Al{sub x}N and w-Ti{sub 1-x}Al{sub x}N. We show that the phase stability of supersaturated c-Ti{sub 1-x}Al{sub x}N not only depends on the chemical composition but also on the Al distribution of the metal sublattice. An increase of the metastable solubility limit of AlN in c-Ti{sub 1-x}Al{sub x}N from 0.64 to 0.74 is obtained by decreasing the number of Ti-Al bonds. This can be understood by considering the Al distribution induced changes of the electronic structure, bond energy, and configurational entropy. This may in part explain the large variation of the metastable solubility limit reported in the literature.

  11. Hierarchical Heterogeneity at the CeO x –TiO 2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures

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

    Luo, Si; Nguyen-Phan, Thuy-Duong; Johnston-Peck, Aaron C.; Barrio, Laura; Sallis, Shawn; Arena, Dario A.; Kundu, Shankhamala; Xu, Wenqian; Piper, Louis F. J.; Stach, Eric A.; et al

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO₂ catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO₂. In these materials the interfaces between CeOx-TiO₂ have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravelmore » the local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO₂ interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO₂ support. The electronic structures of these catalysts indicate that the interaction between TiO₂ and CeO₂ is closely related to the local morphology of nanostructured CeO₂. Ce³⁺ cations were detected at the surface of CeO₂ and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H₂O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO₂ catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties. The structural and electronic properties of the interface

  12. Hierarchical heterogeneity at the CeOx-TiO? interface: Electronic and geometric structural influence on the photocatalytic activity of oxide on oxide nanostructures

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

    None

    2015-01-13

    Mixed oxide interfaces are critical for delivering active components of demanding catalytic processes such as the photo-catalytic splitting of water. We have studied CeOxTiO? catalysts with low ceria loadings of 1 wt%, 3 wt% and 6 wt% that were prepared with wet impregnation methods to favor a strong interaction between CeOx and TiO?. In these materials the interfaces between CeOx-TiO? have been sequentially loaded (1%, 3% and 6%), with and without Pt (0.5 wt%). The structure and properties of the catalysts were characterized using several X-ray and electron based techniques including XRD, XPS, UPS, NEXAFS, UV-Vis and HR-STEM/STEM-EELS, to unravelmorethe local morphology, bulk structure, surface states and electronic structure. The combination of all these techniques allow us to analyze in a systematic way the complete structural and electronic properties that prevail at the CeOx-TiO? interface. Fluorite structured nano crystallites of ceria on anatase-structured titania were identified by both XRD and NEXAFS. A sequential increasing of the CeOx loading led to the formation of clusters, then plates and finally nano particles in a hierarchical manner on the TiO? support. The electronic structures of these catalysts indicate that the interaction between TiO? and CeO? is closely related to the local morphology of nanostructured CeO?. Ce? cations were detected at the surface of CeO? and at the interface of the two oxides. In addition, the titania is perturbed by the interaction with ceria and also with Pt. The photocatalytic activity for the splitting of H?O using UV light was measured for these materials and correlated with our understanding of the electronic and structural properties. Optimal catalytic performance and photo response results were found for the 1 wt% CeOx-TiO? catalyst where low dimensional geometry of the ceria provided ideal electronic and geometrical properties. The structural and electronic properties of the interface were critical for the

  13. Growth of aligned single-crystalline rutile TiO2 nanowires on arbitrary substrates and their application in dye-sensitized solar cells

    SciTech Connect (OSTI)

    Kumar, Akshay; Madaria, Anuj R.; Zhou, Chongwu

    2010-05-06

    TiO{sub 2} is a wide band gap semiconductor with important applications in photovoltaic cells and photocatalysis. In this paper, we report synthesis of single-crystalline rutile phase TiO{sub 2} nanowires on arbitrary substrates, including fluorine-doped tin oxide (FTO), glass slides, tin-doped indium oxide (ITO), Si/SiO{sub 2}, Si(100), Si(111), and glass rods. By controlling the growth parameters such as growth temperature, precursor concentrations, and so forth, we demonstrate that anisotropic growth of TiO{sub 2} is possible leading to various morphologies of nanowires. Optimization of the growth recipe leads to well-aligned vertical array of TiO{sub 2} nanowires on both FTO and glass substrates. Effects of various titanium precursors on the growth kinetics, especially on the growth rate of nanowires, are also studied. Finally, application of vertical array of TiO{sub 2} nanowires on FTO as the photoanode is demonstrated in dye-sensitized solar cell with an efficiency of 2.9 0.2%.

  14. Effects of oxygen and oxidation on tensile behavior of V-(4-5)Cr(4-5)Ti alloys

    SciTech Connect (OSTI)

    Natesan, K.; Soppet, W.K.; Uz, M.

    1997-10-01

    Vanadium-base alloys are potential candidates for applications such as the first wall and other structural components of fusion reactors, but a good understanding of the oxidation behavior of the alloys intended for elevated-temperature use is essential. The authors conducted a systematic study to determine the effects of time and temperature of air exposure on the oxidation behavior and microstructure of V-4Cr-4Ti and V-5Cr-5Ti alloys. Uniaxial tensile tests were conducted at room temperature and at 500 C on preoxidized specimens of the alloys to examine the effects of oxidation time and oxygen migration on maximum engineering stress and uniform and total elongation. The effect of preexposure of the specimens to environments with varying oxygen partial pressures on the tensile properties of both alloys was investigated. Extensive microstructural analyses of the oxygen-exposed/tensile-tested specimens were conducted to evaluate the cracking propensity for the alloys. In addition, tensile-property data for the alloys were correlated with oxygen pressure in the exposure environment, test temperature, and exposure time.

  15. Probabilities of octahedral clusters depending on long-range order parameters and composition in nonstoichiometric titanium monoxide TiO{sub y}

    SciTech Connect (OSTI)

    Kostenko, M. G.; Rempel, A. A.

    2012-12-15

    A method for calculating the probabilities of cluster configurations in ordered superstructures of strongly nonstoichiometric compounds depending on the composition and the order parameter is described using the Ti{sub 5}O{sub 5} superstructure of nonstoichiometric titanium monoxide TiO{sub y}. Analytic expressions are derived for the dependences of the probabilities of the main cluster configurations in the Ti{sub 5}O{sub 5} superstructure on the fraction of atomic positions in the titanium and oxygen sublattices and on the long-range order parameter. The probabilities of configurations are calculated for various long-range order parameters taking into account experimental data on the concentration of structural vacancies in the titanium and oxygen sublattices. The dependences of the probabilities of cluster configurations on the short-range order parameter are established from the relations between the superstructure long-range and short-range order parameters.

  16. Identification and characterization of novel NuMA isoforms

    SciTech Connect (OSTI)

    Wu, Jin; Xu, Zhe; He, Dacheng; Lu, Guanting

    2014-11-21

    Highlights: • Seven NuMA isoforms generated by alternative splicing were categorized into 3 groups: long, middle and short. • Both exons 15 and 16 in long NuMA were “hotspot” for alternative splicing. • Lower expression of short NuMA was observed in cancer cells compared with nonneoplastic controls. • Distinct localization pattern of short isoforms indicated different function from that of long and middle NuMA. - Abstract: The large nuclear mitotic apparatus (NuMA) has been investigated for over 30 years with functions related to the formation and maintenance of mitotic spindle poles during mitosis. However, the existence and functions of NuMA isoforms generated by alternative splicing remains unclear. In the present work, we show that at least seven NuMA isoforms (categorized into long, middle and short groups) generated by alternative splicing from a common NuMA mRNA precursor were discovered in HeLa cells and these isoforms differ mainly at the carboxyl terminus and the coiled-coil domains. Two “hotspot” exons with molecular mass of 3366-nt and 42-nt tend to be spliced during alternative splicing in long and middle groups. Furthermore, full-length coding sequences of long and middle NuMA obtained by using fusion PCR were constructed into GFP-tagged vector to illustrate their cellular localization. Long NuMA mainly localized in the nucleus with absence from nucleoli during interphase and translocated to the spindle poles in mitosis. Middle NuMA displayed the similar cell cycle-dependent distribution pattern as long NuMA. However, expression of NuMA short isoforms revealed a distinct subcellular localization. Short NuMA were present in the cytosol during the whole cycle, without colocalization with mitotic apparatus. These results have allowed us tentatively to explore a new research direction for NuMA’s various functions.

  17. Nitrogen effects on crystallization kinetics of amorphous TiOxNy thin films

    SciTech Connect (OSTI)

    Hukari, Kyle; Dannenberg, Rand; Stach, E.A.

    2001-03-30

    The crystallization behavior of amorphous TiOxNy (x>>y) thin films was investigated by in-situ transmission electron microscopy. The Johnson-Mehl-Avrami-Kozolog (JMAK) theory is used to determine the Avrami exponent, activation energy, and the phase velocity pre-exponent. Addition of nitrogen inhibits diffusion, increasing the nucleation temperature, while decreasing the growth activation energy. Kinetic variables extracted from individual crystallites are compared to JMAK analysis of the fraction transformed and a change of 6 percent in the activation energy gives agreement between the methods. From diffraction patterns and index of refraction the crystallized phase was found to be predominantly anatase.

  18. Interfacial dislocations in (111) oriented (Ba0.7Sr0.3)TiO3 films on SrTiO3 single crystal

    SciTech Connect (OSTI)

    Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; Kamo, Takafumi; Funakubo, Hiroshi; Wu, Di; Xin, Huolin L.; Su, Dong

    2015-10-08

    In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO3 films grown on (111)-oriented SrTiO3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba0.7Sr0.3)TiO3 films.

  19. The effect of cooling rate during rapid solidification on the structure and texture of NiTi

    SciTech Connect (OSTI)

    Pedraza, A.J.; Godbole, M.J.; Kenik, E.A.; Pedraza, D.F.; Lowndes, D.H.

    1986-01-01

    A study has been conducted on the effects of increasing cooling rate during rapid solidification of NiTi upon the phases that are produced. The hammer and anvil rapid solidification technique and laser melting with a nanosecond excimer laser were used, which allow the cooling rate to be varied by three to four orders of magnitude. Although 1/3 (110) superlattice reflections are seen in the selected area diffraction (SAD) patterns of the splat quenched (SQ) specimens, x-ray diffraction analyses show the presence of only B2 phase and martensite. On the other hand, laser treatment (LT) of the specimens produces a layer that has a Ll/sub 0/ structure with a slight monoclinic distortion. This phase can be envisaged as a small distortion of a B2 unit cell with a volume per atom approx.3.3% lower than the equilibrium B2 phase. Also martensite is present in the layer. SQ alloys exhibited a marked (200) texture due to columnar growth opposite to the direction of heat extraction, while LT produces epitaxial regrowth of the melted layer. No substantial disordering is obtained in NiTi rapidly solidified alloys.

  20. Plasmon-induced charge separation at two-dimensional gold semishell arrays on SiO{sub 2}@TiO{sub 2} colloidal crystals

    SciTech Connect (OSTI)

    Wu, Ling; Nishi, Hiroyasu; Tatsuma, Tetsu

    2015-10-01

    Photoelectrodes based on plasmonic Au semishell (or halfshell) arrays are developed. A colloidal crystal consisting of SiO{sub 2}@TiO{sub 2} core-shell particles is prepared on a TiO{sub 2}-coated transparent electrode. A Au semishell (or halfshell) array is deposited by sputtering or evaporation on the colloidal crystal. An electrode with the semishell (or halfshell) array exhibits negative photopotential shifts and anodic photocurrents under visible light at 500-800 nm wavelengths in an aqueous electrolyte containing an electron donor. In particular, hydroquinone and ethanol are good electron donors. The photocurrents can be explained in terms of plasmon-induced charge separation at the Au-TiO{sub 2} interface.

  1. Electric field effects on spin accumulation in Nb-doped SrTiO{sub 3} using tunable spin injection contacts at room temperature

    SciTech Connect (OSTI)

    Kamerbeek, A. M.; Vries, E. K. de; Wees, B. J. van; Banerjee, T.; Dankert, A.; Dash, S. P.

    2014-05-26

    We report on features in charge transport and spin injection in an oxide semiconductor, Nb-doped SrTiO{sub 3}. This is demonstrated using electrically tunable spin injection contacts which exploit the large electric field at the interface and its interplay with the relative permittivity of the semiconductor. We realize spin accumulation in Nb-doped SrTiO{sub 3} which displays a unique dependence of the spin lifetime with bias polarity. These findings suggest a strong influence of the interface electric field on the charge transport as well as on spin accumulation unlike in conventional semiconductors and opens up promising avenues in oxide spintronics.

  2. Microstructural characterization of external and internal oxide products on V-4Cr-4Ti

    SciTech Connect (OSTI)

    Pint, B.A.; Rice, P.M.; Chitwood, L.D.; DeVan, J.H.; DiStefano, J.R.

    1998-09-01

    Air oxidation of V-4Cr-4Ti at 500 C at 1 atm resulted in the formation of a thin (100--150 nm) external vanadium nitride layer which was identified beneath a thicker (1.5 {micro}m) vanadium oxide scale. This nitride layer would only be detected by high-resolution, analytical electron microscopy techniques. Subsequent tests comparing room temperature tensile properties for exposure in laboratory air, dry air and dry oxygen at 1 atm showed more embrittlement in air than in O{sub 2}. Internal oxidation of coarse-grained V-4Cr-4Ti at low oxygen pressures at 500 C was followed by TEM examination. In a sample with a 1400 ppmw O addition, which is sufficient to reduce the ductility to near zero, there appeared to be an oxygen denuded zone (150--250 nm) near the grain boundaries with precipitates at the grain boundaries and uniform ultra-fine (<5 nm) oxygen particles in the matrix. In a similar O-loaded specimen that was subsequently annealed for 4h at 950 C to restore ductility, large oxide particles were observed in the matrix and at the grain boundaries.

  3. On the consistency of QCBED structure factor measurements for TiO2 (Rutile)

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

    Jiang, Bin; Zuo, Jian -Min; Friis, Jesper; Spence, John C. H.

    2003-09-16

    The same Bragg reflection in TiO2 from twelve different CBED patterns (from different crystals, orientations and thicknesses) are analysed quantitatively in order to evaluate the consistency of the QCBED method for bond-charge mapping. The standard deviation in the resulting distribution of derived X-ray structure factors is found to be an order of magnitude smaller than that in conventional X-ray work, and the standard error (0.026% for FX(110)) is slightly better than obtained by the X-ray Pendellosung method applied to silicon. This is sufficiently accuracy to distinguish between atomic, covalent and ionic models of bonding. We describe the importance of extractingmore » experimental parameters from CCD camera characterization, and of surface oxidation and crystal shape. Thus, the current experiments show that the QCBED method is now a robust and powerful tool for low order structure factor measurement, which does not suffer from the large extinction (multiple scattering) errors which occur in inorganic X-ray crystallography, and may be applied to nanocrystals. Our results will be used to understand the role of d electrons in the chemical bonding of TiO2.« less

  4. Temperature-dependent local structural properties of redox Pt nanoparticles on TiO2 and ZrO2 supports

    SciTech Connect (OSTI)

    Jeong, Eun -Suk; Park, Chang -In; Jin, Zhenlan; Hwang, In -Hui; Son, Jae -Kwan; Kim, Mi -Young; Choi, Jae -Soon; Han, Sang -Wook

    2015-01-21

    This paper examined the local structural properties of Pt nanoparticles on SiO2, TiO2–SiO2, and ZrO2–SiO2 supports to better understand the impact of oxide-support type on the performance of Pt-based catalysts. In situ X-ray absorption fine structure (XAFS) measurements were taken for the Pt L3-edge in a temperature range from 300 to 700 K in He, H2, and O2 gas environments. The XAFS measurements demonstrated that Pt atoms were highly dispersed on TiO2–SiO2 and ZrO2–SiO2 forming pancake-shaped nanoparticles, whereas Pt atoms formed larger particles of hemispherical shapes on SiO2 supports. Contrary to the SiO2 case, the coordination numbers for Pt, Ti, and Zr around Pt atoms on the TiO2–SiO2 and ZrO2–SiO2 supports were nearly constant from 300 to 700 K under the different gas environments. These results are consistent with the improvements in thermal stability of Pt nanoparticles achieved by incorporating TiO2 or ZrO2 on the surface of SiO2 supports. XAFS analysis further indicated that the enhanced dispersion and stability of Pt were a consequence of the strong metal support interaction via Pt–Ti and Pt–Zr bonds.

  5. Temperature-dependent local structural properties of redox Pt nanoparticles on TiO2 and ZrO2 supports

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

    Jeong, Eun -Suk; Park, Chang -In; Jin, Zhenlan; Hwang, In -Hui; Son, Jae -Kwan; Kim, Mi -Young; Choi, Jae -Soon; Han, Sang -Wook

    2015-01-21

    This paper examined the local structural properties of Pt nanoparticles on SiO2, TiO2–SiO2, and ZrO2–SiO2 supports to better understand the impact of oxide-support type on the performance of Pt-based catalysts. In situ X-ray absorption fine structure (XAFS) measurements were taken for the Pt L3-edge in a temperature range from 300 to 700 K in He, H2, and O2 gas environments. The XAFS measurements demonstrated that Pt atoms were highly dispersed on TiO2–SiO2 and ZrO2–SiO2 forming pancake-shaped nanoparticles, whereas Pt atoms formed larger particles of hemispherical shapes on SiO2 supports. Contrary to the SiO2 case, the coordination numbers for Pt, Ti,more » and Zr around Pt atoms on the TiO2–SiO2 and ZrO2–SiO2 supports were nearly constant from 300 to 700 K under the different gas environments. These results are consistent with the improvements in thermal stability of Pt nanoparticles achieved by incorporating TiO2 or ZrO2 on the surface of SiO2 supports. XAFS analysis further indicated that the enhanced dispersion and stability of Pt were a consequence of the strong metal support interaction via Pt–Ti and Pt–Zr bonds.« less

  6. Investigations on the electronic, structural, magnetic properties related to shape-memory behavior in Ti{sub 2}CoX (X=Al, Ga, In)

    SciTech Connect (OSTI)

    Wei, Xiao-Ping; Chu, Yan-Dong; Sun, Xiao-Wei; E, Yan; Deng, Jian-Bo; Xing, Yong-Zhong

    2015-02-15

    Highlights: • The analysis of phase stability trend is studied for Ti{sub 2}CoX(X = Al, Ga, In). • Ti{sub 2}CoGa is more suitable as shape memory alloy. • Total magnetic moments disappear with a increase of c/a ratio for all systems. • Density of states at the Fermi level are also shown. - Abstract: Using the full-potential local orbital minimum-basis method, we have performed a systematic investigations on the electronic, structural, and magnetic properties related to shape memory applications for Ti{sub 2}CoX (X=Al, Ga, In) alloys. Our results confirm that these alloys are half-metallic ferromagnets with total magnetic moment of 2μ{sub B} per formula unit in austenite phase, and undergo a martensitic transformation at low temperatures. The relative stabilities of the martensitic phases differ considerably between Ti{sub 2}CoX (X=Al, Ga, In). Details of the electronic structures suggest that the differences in hybridizations between the magnetic components are responsible for trends of phase. Quantitative estimates for the energetics and the magnetizations indicate that Ti{sub 2}CoGa is a promising candidate for shape memory applications.

  7. Interfacial mode coupling as the origin of the enhancement of Tc in FeSe films on SrTiO3

    SciTech Connect (OSTI)

    Lee, J. J.; Schmitt, F. T.; Moore, R. G.; Johnston, S.; Cui, Y. -T.; Li, W.; Yi, M.; Liu, Z. K.; Hashimoto, M.; Zhang, Y.; Lu, D. H.; Devereaux, T. P.; Lee, D. -H.; Shen, Z. -X.; /SIMES, Stanford /SLAC /Stanford U., Geballe Lab.

    2014-11-12

    Films of iron selenide (FeSe) one unit cell thick grown on strontium titanate (SrTiO3 or STO) substrates have recently shown superconducting energy gaps opening at temperatures close to the boiling point of liquid nitrogen (77 K), which is a record for the iron-based superconductors. The gap opening temperature usually sets the superconducting transition temperature Tc, as the gap signals the formation of Cooper pairs, the bound electron states responsible for superconductivity. To understand why Cooper pairs form at such high temperatures, we examine the role of the SrTiO3 substrate. Here we report high-resolution angle-resolved photoemission spectroscopy results that reveal an unexpected characteristic of the single-unit-cell FeSe/SrTiO3 system: shake-off bands suggesting the presence of bosonic modes, most probably oxygen optical phonons in SrTiO3, which couple to the FeSe electrons with only a small momentum transfer. Such interfacial coupling assists superconductivity in most channels, including those mediated by spin fluctuations. Our calculations suggest that this coupling is responsible for raising the superconducting gap opening temperature in single-unit-cell FeSe/SrTiO3.

  8. Oxynitrided Surface Layer Produced On Ti6Al4V Titanium Alloy Under Low Temperature Glow Discharge Conditions For Medical Applications

    SciTech Connect (OSTI)

    Wierzchon, T.; Ossowski, M.; Borowski, T.; Morgiel, J.; Czarnowska, E.

    2011-01-17

    In spite that titanium oxides increase biocompatibility of titanium implants but their functional life is limited due to the problems arising from brittles and metalosis. Therefore technology, that allow to produce composite surface layer with controlled microstructure, chemical and phase composition and surface morphology on titanium alloy and eliminates the oxides disadvantages has been existing till now is searched. The requirements of titanium and its alloys implants can be fulfill by the low-temperature glow discharge assisted oxynitriding.The paper describes the surface layer of TiO{sub 2}+TiN+Ti{sub 2}N+{alpha}Ti(N) type produced at temperature 680 deg. C that preserves mechanical properties of titanium alloy Ti6Al4V. Characteristics of produced diffusion multi-phase surface layers in range of phase composition, microstructure (SEM, TEM, XRD) and its properties, such as frictional wear resistance are presented. The biological properties in dependency to the applied sterilization method are also analyzed.Properties of produced surface layers are discussed with reference to titanium alloy. The obtained data show that produced surface layers improves titanium alloy properties both frictional wear and biological. Preliminary in vitro examinations show good biocompatibility and antithrombogenic properties.

  9. INFLUENCE OF CARBON AND DPA RATE ON NEUTRON-INDUCED SWELLING OF Fe-15Cr-16Ni-0.25Ti IN FFTF AT ~400 DEGREES C

    SciTech Connect (OSTI)

    Okita, Taira; Sekimura, Naoto; Garner, Francis A.; Wolfer, W. G.

    2002-12-31

    The purpose of this effort is to determine the influence of dpa rate and composition on the void swelling of simple austenitic Fe-Cr-Ni alloys. Contrary to the swelling behavior of fcc Fe-15Cr-16Ni and Fe-15Cr-16Ni-0.25Ti alloys irradiated in the same FFTF-MOTA experiment, Fe-15Cr-16Ni-0.25Ti-0.04C does not exhibit a dependence of swelling on dpa rate at approximately 400 degrees C. The transient regime of swelling is prolonged by carbon addition, however.

  10. A first-principles study of Pt thin films on SrTiO{sub 3}(100): Support effects on CO adsorption

    SciTech Connect (OSTI)

    Yuk, Simuck F.; Asthagiri, Aravind

    2015-03-28

    Density functional theory was used to study CO adsorption on thin Pt metal films supported on SrO- and TiO{sub 2}-terminated SrTiO{sub 3}(100) surfaces. Regardless of substrate-termination, significant enhancement in CO binding occurred on the Pt monolayer compared to the bulk Pt(100) surface. We also observed CO-coverage dependent shifting of Pt atoms, influenced by the nature of underlying oxide atoms. These oxide-induced effects become negligible after depositing more than 2 monolayers of Pt. Evaluating the electronic structures of oxide-supported Pt showed that the interaction of filled Pt d{sub xz+yz} and empty Pt d{sub z{sup 2}} states with CO molecular orbitals can be directly related to CO adsorption on the Pt/SrTiO{sub 3}(100) surface. A hybrid d-band model is able to capture the CO adsorption trends for systems that do not show large lateral distortion except for the case of Pt adsorbed above the Sr atom on the SrO-termination. For this case, charge transfer from adjacent Pt atoms leads to a large filled d{sub z{sup 2}} peak below the Fermi level that weakens the Pt–CO σ bonding due to Pauli repulsion.

  11. Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO2(110) Surface

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-04-07

    The effects of water and methanol ice overlayers on the photodecomposition of acetone on rutile TiO2(110) were evaluated in ultrahigh vacuum (UHV) using photon stimulated desorption (PSD) and temperature programmed desorption (TPD). In the absence of ice overlayers, acetone photodecomposed on TiO2(110) at 95 K by ejection of a methyl radical into the gas phase and formation of acetate on the surface. With ice overlayers, the methyl radicals are trapped at the interface between TiO2(110) and the ice. When water ice was present, these trapped methyl radicals reacted either with each other to form ethane or with other molecules in the ice (e.g., water or displaced acetone) to form methane (CH4), ethane (CH3CH3) and other products (e.g., methanol), with all of these products trapped in the ice. The new products were free to revisit the surface or depart during desorption of the ice. When methanol ice was present, methane formation came about only from reaction of trapped methyl radicals with the methanol ice. Methane and ethane slowly leaked through methanol ice overlayers into vacuum at 95 K, but not through water ice overlayers. Different degrees of site competition between water and acetone, and between methanol and acetone led to different hydrogen abstraction pathways in the two ices. These results provide new insights into product formation routes and solution-phase radical formation mechanisms that are important in heterogeneous photocatalysis.

  12. Influence of catalyst synthesis method on selective catalytic reduction (SCR) of NO by NH3 with V2O5-WO3/TiO2 catalysts

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

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

    2016-04-14

    We compared the molecular structures, surface acidity and catalytic activity for NO/NH3/O2 SCR of V2O5-WO3/TiO2 catalysts for two different synthesis methods: co-precipitation of aqueous vanadium and tungsten oxide precursors with TiO(OH)2 and by incipient wetness impregnation of the aqueous precursors on a reference crystalline TiO2 support (P25; primarily anatase phase). Bulk analysis by XRD showed that co-precipitation results in small and/or poorly ordered TiO2(anatase) particles and that VOx and WOx do not form solid solutions with the bulk titania lattice. Surface analysis of the co-precipitated catalyst by High Sensitivity-Low Energy Ion Scattering (HS-LEIS) confirms that the VOx and WOx aremore » surface segregated for the co-precipitated catalysts. In situ Raman and IR spectroscopy revealed that the vanadium and tungsten oxide components are present as surface mono-oxo O = VO3 and O = WO4 sites on the TiO2 supports. Co-precipitation was shown for the first time to also form new mono-oxo surface VO4 and WO4 sites that appear to be anchored at surface defects of the TiO2 support. IR analysis of chemisorbed ammonia showed the presence of both surface NH3* on Lewis acid sites and surface NH4+* on Brønsted acid sites. TPSR spectroscopy demonstrated that the specific SCR kinetics was controlled by the redox surface VO4 species and that the surface kinetics was independent of TiO2 synthesis method or presence of surface WO5 sites. SCR reaction studies revealed that the surface WO5 sites possess minimal activity below ~325 °C and their primary function is to increase the adsorption capacity of ammonia. A relationship between the SCR activity and surface acidity was not found. The SCR reaction is controlled by the surface VO4 sites that initiate the reaction at ~200 °C. The co-precipitated catalysts were always more active than the corresponding impregnated catalysts. Finally, we ascribe the higher activity of the co-precipitated catalysts to the presence of

  13. In-situ single-grain peak profile measurements on Ti-7Al during tensile deformation.

    SciTech Connect (OSTI)

    Lienert, U.; Brandes, M. C.; Bernier, J. V.; Weiss, J.; Shastri, S. D.; Mills, M. J.; Miller, M. P.; US Naval Research Lab.; LLNL; Mechanical Solutions, Inc.; Ohio State Univ.; Cornell Univ.

    2009-10-25

    High-energy three-dimensional X-ray diffraction with medium and high reciprocal space resolution was applied to study in situ tensile deformation of Ti-7Al specimens. Samples with planar and random dislocation microstructures were prepared and characterized by electron microscopy. Stress tensors of individual grains were obtained at several loads up to 2% deformation. The stress tensors were found to rotate, and resolved shear stresses were calculated. High-resolution reciprocal space maps of selected grains were recorded. Azimuthal and radial distributions were visualized and discussed in terms of idealized dislocation structures. Heterogeneous grain rotations were observed for the planar microstructure and found to be consistent with activation of the highest stressed basal slip system. Intra-granular strain gradients were detected in excess of the intrinsic radial dislocation peak broadening. The potential of combining the applied techniques with modeling to obtain multiple length-scale information during deformation of bulk specimens is discussed.

  14. EDeMa (Smart Grid Project) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search Project Name EDeMa Country Germany Headquarters Location Mlheim, Germany Coordinates 51.427074, 6.886492 Loading map... "minzoom":false,"mapping...

  15. MHK Projects/GCK Technology Merrimack River Amesbury MA US |...

    Open Energy Info (EERE)

    Merrimack River Amesbury MA US < MHK Projects Jump to: navigation, search << Return to the MHK database homepage Loading map... "minzoom":false,"mappingservice":"googlemaps3","typ...

  16. MaRIE: An experimental facility concept revolutionizing materials...

    Office of Scientific and Technical Information (OSTI)

    concept revolutionizing materials in extremes Citation Details In-Document Search Title: MaRIE: An experimental facility concept revolutionizing materials in extremes Authors: ...

  17. THE EXECUTIVE SECRETARIAT, MA-70 | Department of Energy

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

    Organization chart for the Office of the Executive Secretariat, MA-70 PDF icon Office of the Executive Secretariat More Documents & Publications Office of Management Organization ...

  18. Degradation mechanisms of Ti/Al/Ni/Au-based Ohmic contacts on AlGaN/GaN HEMTs

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

    Hwang, Ya-Hsi; Ahn, Shihyun; Dong, Chen; Zhu, Weidi; Kim, Byung-Jae; Le, Lingcong; Ren, Fan; Lind, Aaron G.; Dahl, James; Jones, Kevin S.; et al

    2015-04-27

    We investigated the degradation mechanism of Ti/Al/Ni/Au-based Ohmic metallization on AlGaN/GaN high electron mobility transistors upon exposure to buffer oxide etchant (BOE). The major effect of BOE on the Ohmic metal was an increase of sheet resistance from 2.89 to 3.69 Ω/ₜafter 3 min BOE treatment. The alloyed Ohmic metallization consisted 3–5 μm Ni-Al alloy islands surrounded by Au-Al alloy-rings. The morphology of both the islands and ring areas became flatter after BOE etching. Lastly, we used energy dispersive x-ray analysis and Auger electron microscopy to analyze the compositions and metal distributions in the metal alloys prior to and aftermore » BOE exposure.« less

  19. Low pressure CO₂ hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO₂ interface

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

    Yang, Xiaofang; Boscoboinik, J. Anibal; Kattel, Shyam; Senanayake, Sanjaya D.; Nie, Xiaowa; Graciani, Jesus; Rodriguez, Jose A.; Liu, Ping; Stacchiola, Dario J.; Chen, Jingguang G.

    2015-07-28

    Capture and recycling of CO₂ into valuable chemicals such as alcohols could help mitigate its emissions into the atmosphere. Due to its inert nature, the activation of CO₂ is a critical step in improving the overall reaction kinetics during its chemical conversion. Although pure gold is an inert noble metal and cannot catalyze hydrogenation reactions, it can be activated when deposited as nanoparticles on the appropriate oxide support. In this combined experimental and theoretical study, it is shown that an electronic polarization at the metal–oxide interface of Au nanoparticles anchored and stabilized on a CeOx/TiO₂ substrate generates active centers formore » CO₂ adsorption and its low pressure hydrogenation, leading to a higher selectivity toward methanol. In conclusion, this study illustrates the importance of localized electronic properties and structure in catalysis for achieving higher alcohol selectivity from CO₂ hydrogenation.« less

  20. Strain-Dependence of the Structure and Ferroic Properties of Epitaxial NiTiO 3 Thin Films Grown on Different Substrates

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

    Varga, Tamas; Droubay, Timothy C.; Bowden, Mark E.; Kovarik, Libor; Hu, Dehong; Chambers, Scott A.

    2015-01-01

    Polarization-induced weak ferromagnetism has been predicted a few years back in perovskite MTiO 3 (M = Fe, Mn, and Ni). We set out to stabilize this metastable perovskite structure by growing NiTiO 3 epitaxially on different substrates and to investigate the dependence of polar and magnetic properties on strain. Epitaxial NiTiO 3 films were deposited on Al 2 O 3 , Fe 2 O 3 , and LiNbO 3 substrates by pulsed laser deposition and characterized using several techniques. The effect of substrate choice on lattice strain, film structure, and physical properties was investigated. Our structural data from X-raymore » diffraction and electron microscopy shows that substrate-induced strain has a marked effect on the structure and crystalline quality of the films. Physical property measurements reveal a dependence of the weak ferromagnetism and lattice polarization on strain and highlight our ability to control the ferroic properties in NiTiO 3 thin films by the choice of substrate. Our results are also consistent with the theoretical prediction that the ferromagnetism in acentric NiTiO 3 is polarization induced. From the substrates studied here, the perovskite substrate LiNbO 3 proved to be the most promising one for strong multiferroism.« less

  1. Strain-dependence Of The Structure And Ferroic Properties Of Epitaxial NiTiO3 Thin Films Grown On Different Substrates

    SciTech Connect (OSTI)

    Varga, Tamas; Droubay, Timothy C.; Bowden, Mark E.; Kovarik, Libor; Hu, Dehong; Chambers, Scott A.

    2015-08-14

    Polarization-induced weak ferromagnetism has been predicted a few years back in perovskite MTiO3 (M = Fe, Mn, Ni) [Fennie, Phys. Rev. Lett. 100, 167203 (2008)]. We set out to stabilize this metastable perovskite structure by growing NiTiO3 epitaxially on different substrates, and to investigate the dependence of polar and magnetic properties on strain. Epitaxial NiTiO3 films were deposited on Al2O3, Fe2O3, and LiNbO3 substrates by pulsed laser deposition, and characterized using several techniques. The effect of substrate choice on lattice strain, film structure, and physical properties was investigated. Our structural data from x-ray diffraction and electron microscopy shows that substrate-induced strain has a marked effect on the structure and crystalline quality of the films. Physical property measurements reveal a dependence of the weak ferromagnetism and lattice polarization on strain, and highlight our ability to control the ferroic properties in NiTiO3 thin films by the choice of substrate. Our results are also consistent with the theoretical prediction that the ferromagnetism in acentric NiTiO3 is polarization-induced. From the substrates studied here, the perovskite substrate LiNbO3 proved to be the most promising one for strong multiferroism.

  2. Strain-Dependence of the Structure and Ferroic Properties of Epitaxial NiTiO3Thin Films Grown on Different Substrates

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

    Varga, Tamas; Droubay, Timothy C.; Bowden, Mark E.; Kovarik, Libor; Hu, Dehong; Chambers, Scott A.

    2015-01-01

    Polarization-induced weak ferromagnetism has been predicted a few years back in perovskite MTiO3(M = Fe, Mn, and Ni). We set out to stabilize this metastable perovskite structure by growing NiTiO3epitaxially on different substrates and to investigate the dependence of polar and magnetic properties on strain. Epitaxial NiTiO3films were deposited on Al2O3, Fe2O3, and LiNbO3substrates by pulsed laser deposition and characterized using several techniques. The effect of substrate choice on lattice strain, film structure, and physical properties was investigated. Our structural data from X-ray diffraction and electron microscopy shows that substrate-induced strain has a marked effect on the structure and crystallinemorequality of the films. Physical property measurements reveal a dependence of the weak ferromagnetism and lattice polarization on strain and highlight our ability to control the ferroic properties in NiTiO3thin films by the choice of substrate. Our results are also consistent with the theoretical prediction that the ferromagnetism in acentric NiTiO3is polarization induced. From the substrates studied here, the perovskite substrate LiNbO3proved to be the most promising one for strong multiferroism.less

  3. Strain-dependence Of The Structure And Ferroic Properties Of Epitaxial Ni-1 (-) Ti-x(1) (-) O-y(3) Thin Films Grown On Sapphire Substrates

    SciTech Connect (OSTI)

    Varga, Tamas; Droubay, Timothy C.; Bowden, Mark E.; Stephens, Sean A.; Manandhar, Sandeep; Shutthanandan, V.; Colby, Robert J.; Hu, Dehong; Shelton, William A.; Chambers, Scott A.

    2015-03-01

    Polarization-induced weak ferromagnetism has been predicted a few years back in perovskite MTiO3 (M = Fe, Mn, Ni) [Fennie, Phys. Rev. Lett. 100, 167203 (2008)]. We set out to stabilize this metastable perovskite structure by growing NiTiO3 epitaxially on sapphire Al2O3 (001) substrate, and to control the polar and magnetic properties via strain. Epitaxial Ni1-xTi1-yO3 films of different Ni/Ti ratios and thicknesses were deposited on Al2O3 substrates by pulsed laser deposition at different temperatures, and characterized using several techniques. The effect of film thickness, deposition temperature, and film stoichiometry on lattice strain, film structure, and physical properties was investigated. Our structural data from x-ray diffraction, electron microscopy, and x-ray absorption spectroscopy shows that substrate-induced strain has a marked effect on the structure and crystalline quality of the films. Physical property measurements reveal a dependence of the Nel transition and lattice polarization on strain, and highlight our ability to control the ferroic properties in NiTiO3 thin films by film stoichiometry and thickness.

  4. Negligible substrate clamping effect on piezoelectric response in (111)-epitaxial tetragonal Pb(Zr, Ti)O{sub 3} films

    SciTech Connect (OSTI)

    Yamada, Tomoaki; Yasumoto, Jun; Ito, Daisuke; Yoshino, Masahito; Nagasaki, Takanori; Sakata, Osami; Imai, Yasuhiko; Kiguchi, Takanori; Shiraishi, Takahisa; Shimizu, Takao; Funakubo, Hiroshi

    2015-08-21

    The converse piezoelectric responses of (111)- and (001)-epitaxial tetragonal Pb(Zr{sub 0.35}Ti{sub 0.65})O{sub 3} [PZT] films were compared to investigate the orientation dependence of the substrate clamping effect. Synchrotron X-ray diffraction (XRD) and piezoelectric force microscopy revealed that the as-grown (111)-PZT film has a polydomain structure with normal twin boundaries that are changed by the poling process to inclined boundaries, as predicted by Romanov et al. [Phys. Status Solidi A 172, 225 (1999)]. Time-resolved synchrotron XRD under bias voltage showed the negligible impact of substrate clamping on the piezoelectric response in the (111)-PZT film, unlike the case for (001)-PZT film. The origin of the negligible clamping effect in the (111)-PZT film is discussed from the viewpoint of the elastic properties and the compensation of lattice distortion between neighboring domains.

  5. LaCrO{sub 3} heteroepitaxy on SrTiO{sub 3}(001) by molecular beam epitaxy

    SciTech Connect (OSTI)

    Qiao, L.; Droubay, T. C.; Bowden, M. E.; Shutthanandan, V.; Kaspar, T. C.; Chambers, S. A.

    2011-08-08

    Stoichiometric, epitaxial LaCrO{sub 3} films have been grown on SrTiO{sub 3}(001) by molecular beam epitaxy using O{sub 2} as the oxidant. Films grew in a layer-by-layer fashion, giving rise to coherently strained, structurally excellent films and surfaces which preserve the step-terrace structure of the substrate. The critical thickness is in excess of 500 A. Cr(III) near the surface is easily oxidized to Cr(V) upon exposure to atomic oxygen and reduction back to Cr(III) is readily achieved by vacuum annealing, resulting in tunability of the charge state at the B-site cation.

  6. 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.

  7. Surface phase of TiO{sub 2} modified with La{sub 2}O{sub 3} and its effect on the photocatalytic H{sub 2} evolution

    SciTech Connect (OSTI)

    Zhang, Yangyang [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Zhang, Jing, E-mail: jingzhang_dicp@live.cn [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Xu, Qian [State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China); Yan, Song; Zhao, Shanlin; Luo, Genxiang [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Li, Can, E-mail: canli@dicp.ac.cn [State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China)

    2014-05-01

    Graphical abstract: The La{sub 2}O{sub 3}/TiO{sub 2}-900 C (or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 C), with surface anatase phase, show the similar photocatalytic activity. The presence of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3} (La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 C or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 C){sub .} - Highlights: Loading La{sub 2}O{sub 3} on anatase TiO{sub 2} is an effective method for stabilizing the anatase phases both in the surface and in the bulk region. The high crystallinity of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3.} - Abstract: TiO{sub 2} nanoparticles modified with La{sub 2}O{sub 3} were prepared by an impregnation method using anatase TiO{sub 2} support (La{sub 2}O{sub 3}/TiO{sub 2}) or amorphous Ti(OH){sub 4} support (La{sub 2}O{sub 3}/Ti(OH){sub 4}). The bulk and surface crystalline phases of La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) have been characterized by X-ray powder diffraction (XRD) and UV Raman spectroscopy. Besides, morphology and particle size of La{sub 2}O{sub 3}/TiO{sub 2} and La{sub 2}O{sub 3}/Ti(OH){sub 4} samples have been determined by TEM (transmission electron microscope) and BrunauerEmmettTeller (BET), respectively. It is found that the phase transformation and increase of the particle size of TiO{sub 2} can be more effectively inhibited in the La{sub 2}O{sub 3}/TiO{sub 2} than in the La{sub 2}O{sub 3}/Ti(OH){sub 4}. Photocatalytic experiments indicated that the La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) samples with surface anatase phase have the similar overall photocatalytic activities. Moreover, it is found that the high crystallinity of surface anatase phase is benefit for the high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3}.

  8. Influences of ureaglycerol mixtures as mixed mesopore-controlling agents on tailoring physicochemical properties and photocatalytic H{sub 2} production activity of solgel-derived mesoporous-assembled TiO{sub 2} nanocrystals

    SciTech Connect (OSTI)

    Sreethawong, Thammanoon; Ngamsinlapasathian, Supachai; Yoshikawa, Susumu

    2013-01-15

    Graphical abstract: Display Omitted Highlights: ? Mesoporous-assembled TiO{sub 2} nanocrystals were synthesized by modified solgel process. ? Ureaglycerol mixtures were applied as mixed mesopore-controlling agents. ? Urea and glycerol contents affected physicochemical properties of synthesized TiO{sub 2}. ? Photocatalytic H{sub 2} production activity also depended on urea and glycerol contents. ? 75 mol% urea and 25 mol% glycerol yielded the most photocatalytically active TiO{sub 2}. -- Abstract: In this work, the mesoporous-assembled TiO{sub 2} nanocrystal photocatalysts were successfully synthesized by a solgel process with the aid of ureaglycerol mixtures used as mixed mesopore-controlling agents. The photocatalytic activity of the synthesized mesoporous-assembled TiO{sub 2} nanocrystal photocatalysts was investigated for hydrogen production from the water splitting reaction using methanol as a hole scavenger under UV light irradiation. The synthesized TiO{sub 2} nanocrystal photocatalysts were systematically characterized by TGDTA, N{sub 2} adsorptiondesorption, SEM, high resolution TEM, and XRD analyses. The characterization results showed that the well-controlled contents of urea and glycerol in a ureaglycerol mixture at 75 mol% urea and 25 mol% glycerol resulted in not only the most highly porous network (i.e. the highest specific surface area and total pore volume, and the smallest mean mesopore diameter), but also the smallest crystallite size of the synthesized TiO{sub 2} nanocrystal photocatalyst. The photocatalytic reaction results, hence, revealed a much superior photocatalytic hydrogen production activity of the mesoporous-assembled TiO{sub 2} nanocrystal synthesized with 75 mol% urea and 25 mol% glycerol to the other synthesized TiO{sub 2} nanocrystals, also being much higher than those of the commercially available P-25 TiO{sub 2} and ST-01 TiO{sub 2} powders.

  9. Probing the photochemistry of chemisorbed oxygen on TiO2(110) with Kr and other co-adsorbates

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Kimmel, Gregory A.

    2014-02-14

    Weakly bound (physisorbed) atoms and molecules such as Ar, Kr, Xe, CO, CH4, CH3OH, CO2 and N2 are used to probe the photochemical interactions of O2 on rutile TiO2(110). UV irradiation of chemisorbed O2 along with the physisorbed probe species leads to photon-stimulated desorption (PSD) of Ar, Kr, CO, CH4 and N2. Without co-adsorbed O2, the PSD yields of the probe species are very low or not observed. No PSD was observed for CO2, N2O, CH3OH and the PSD yield for Xe is very low compared to the other probe atoms or molecules. The angular distribution of the photo-desorbing Kr, which is broad and cosine, is quite different from the O2 PSD angular distribution, which is sharply peaked along the surface normal. The Kr PSD yields increase with increasing coverage of Kr and of chemisorbed O2. We propose a mechanism for the observed phenomena where the chemisorbed O2 serves as photoactive center, excited via electronic excitations (electrons and/or holes) created in the TiO2 substrate by UV photon irradiation. The photo-excited O2 may transfer its energy to neighboring co-adsorbed atom or molecule resulting in desorption of the latter. Simple momentum transfer considerations suggest that heavier adsorbates (like Xe) and adsorbates with higher binding energy (like CO2) should desorb less efficiently according to the proposed mechanism. Various forms of chemisorbed O2 appeared photoactive in such stimulated desorption of Kr atoms: molecular anions (O22-, O2-), adatoms (Oa), and others. The observed phenomenon provides a new tool for study of photocatalysis.

  10. Effect of oxygen incorporation on the structure and elasticity of Ti-Al-O-N coatings synthesized by cathodic arc and high power pulsed magnetron sputtering

    SciTech Connect (OSTI)

    Hans, M. Baben, M. to; Music, D.; Ebenhch, J.; Schneider, J. M.; Primetzhofer, D.; Kurapov, D.; Arndt, M.; Rudigier, H.

    2014-09-07

    Ti-Al-O-N coatings were synthesized by cathodic arc and high power pulsed magnetron sputtering. The chemical composition of the coatings was determined by means of elastic recoil detection analysis and energy dispersive X-ray spectroscopy. The effect of oxygen incorporation on the stress-free lattice parameters and Young's moduli of Ti-Al-O-N coatings was investigated by X-ray diffraction and nanoindentation, respectively. As nitrogen is substituted by oxygen, implications for the charge balance may be expected. A reduction in equilibrium volume with increasing O concentration is identified by X-ray diffraction and density functional theory calculations of Ti-Al-O-N supercells reveal the concomitant formation of metal vacancies. Hence, the oxygen incorporation-induced formation of metal vacancies enables charge balancing. Furthermore, nanoindentation experiments reveal a decrease in elastic modulus with increasing O concentration. Based on ab initio data, two causes can be identified for this: First, the metal vacancy-induced reduction in elasticity; and second, the formation of, compared to the corresponding metal nitride bonds, relatively weak Ti-O and Al-O bonds.

  11. Influence of calcination parameters on the synthesis of N-doped TiO{sub 2} by the polymeric precursors method

    SciTech Connect (OSTI)

    Dawson, Margaret; Soares, Gabriela Byzynski; Ribeiro, Caue

    2014-07-01

    In this paper, the influence of calcination parameters on the synthesis of N:TiO{sub 2} catalysts obtained through the polymeric precursors method was evaluated. The powders were prepared by annealing Ti{sup 4+} precursor resins at different temperature-time conditions in air, resulting in powders with different degrees of crystallinity for N doping, which was done by adding urea to the as-prepared powders and calcining in N{sub 2} atmosphere. The N doping process resulted in band gap narrowing of TiO{sub 2} and, varying annealing temperature and time, can be an alternative method for preferential formation of substitutional N or interstitial N. It was found that the percentage of interstitial N increased with an increase in annealing temperature, resulting in the complete absence of substitutional N at 400 C. The photocatalytic performance of the powders was evaluated using Rhodamine-B and Atrazine solutions under ultraviolet and visible irradiations. The coefficients revealed that interstitial N had a positive correlation to both ultraviolet and visible photoactivity. In contrast, substitutional N showed a negative correlation. Further, the ratio of substitutional N to interstitial N indicated a strong negative correlation to ultraviolet light photoactivity and no correlation to visible light photoactivity. However, substitutional N should be controlled for better photocatalytic properties. - Graphical abstract: The temperature influences to promote higher quantities of Interstitial N doped TiO{sub 2} than Substitutional and due to difference between energies levels for substitutional N doped TiO{sub 2} and Interstitial N doped TiO{sub 2}, it is presented difference on photocatalytic activity. - Highlights: Temperature and time of synthesis of N doping TiO{sub 2} could affect the type of N (interstitial and substitutional N). The percentage of interstitial N increased with an increase in annealing temperature. Interstitial N improves ultraviolet and

  12. Catalytic epoxidation of propene with H2O-O2 reactants on Au/TiO2

    SciTech Connect (OSTI)

    Ojeda, Manuel; Iglesia, Enrique

    2008-11-05

    Au/TiO{sub 2} catalysts form hydroperoxy species from H{sub 2}O-O{sub 2} mixtures at near-ambient temperatures. These species can be used in the selective epoxidation of propene to propylene oxide.

  13. Studies on the effect of acid treated TiO{sub 2} on the electrical and tensile properties of hexanoyl chitosan-polystyrene-LiCF{sub 3}SO{sub 3} composite polymer electrolytes

    SciTech Connect (OSTI)

    Hanif, Nur Shazlinda Muhammad; Shahril, Nur Syuhada Mohd; Azmar, Amisha; Winie, Tan

    2015-08-28

    Composite polymer electrolytes (CPEs) comprised of hexanoyl chitosan:polystyrene (90:10) blend, lithium triflouromethanesulfonate (LiCF{sub 3}SO{sub 3}) salt and titanium oxide (TiO{sub 2}) filler were prepared by solution casting technique. The TiO{sub 2} fillers were treated with 2% sulphuric acid (H{sub 2}SO{sub 4}) aqueous solution. The effect of acid treated TiO{sub 2} on the electrical and tensile properties of the electrolytes were investigated. Acid treated TiO{sub 2} decreased the electrolyte conductivity. Both the dielectric constant and dielectric loss decrease with increasing frequency and increases with increasing temperature. Relaxation times for ionic carriers were extracted from the loss tangent maximum peak at various temperatures. A distribution of relaxation time implied the non-Debye response. At all frequencies, ac conductivity increases with increasing temperature. An enhancement in the Young’s modulus was observed with the addition of TiO{sub 2}. The Young’s modulus increases with increasing TiO{sub 2} content. This is discussed using the percolation concept.

  14. 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

  15. Synergy of elastic and inelastic energy loss on ion track formation in SrTiO3

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

    Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.; Sachan, Ritesh; Chisholm, Matthew F.; Liu, Peng; Xue, Haizhou; Jin, Ke; Zhang, Yanwen

    2015-01-12

    While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontiummore » titanate (SrTiO3), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.« less

  16. Effect of Niobium Content on Shape Memory Characteristics of (Ni47Ti44)100-xNbx Alloys

    SciTech Connect (OSTI)

    He, X.M.; Yan, D.S.; Rong, L.J.; Li, Y.Y.

    2004-06-28

    The effect of niobium content on shape memory characteristics in (Ni47Ti44)100-xNbx (at.%) alloys (x=3,9,15,20,30) was investigated in detail by performing differential scanning calorimetry and cryogenic tensile tests at a temperature of (Ms+30 K). The results show that tensile strain as much as 6% vanished completely in five alloys after unloading and then heating to 473K. But with increasing the deformation, substantial plastic deformation that was irreversible occurred in the niobium-rich phase. As a result, the residual elongation increased. Moreover, the degradation of the shape recovery ratio increased with increasing niobium content. It was also found that the transformation hysteresis was widened by deformation. The effect of niobium content on the transformation hysteresis and shape memory effect was investigated systematically and the related mechanism has been proposed based on microstructural analysis. In view of the engineering application, where wide hysteresis and better shape memory effect is desired, the optimized niobium content is proposed.

  17. MaRIE theory, modeling and computation roadmap executive summary...

    Office of Scientific and Technical Information (OSTI)

    executive summary describe in detail for each of these areas the current state of the art, the gaps that exist and the road map to MaRIE and beyond. Here we integrate the...

  18. Market Acceptance of Advanced Automotive Technologies (MA3T) Model

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

    Acceptance of Advanced Automotive Technologies (MA3T) Model (Oak Ridge National Laboratory) Objectives Forecasts sales of competing vehicle technologies among consumer segments. Analyzes how technology, infrastructure, consumer behavior, and policy affect sales of new technologies and determines the resulting societal, environmental and economic impacts. Key Attributes & Strengths MA3T can be used to investigate the societal benefits, costs, and employment impacts of market transitions

  19. OVERVIEW OF THE SDSS-IV MaNGA SURVEY: MAPPING NEARBY GALAXIES AT APACHE POINT OBSERVATORY

    SciTech Connect (OSTI)

    Bundy, Kevin; Bershady, Matthew A.; Wake, David A.; Tremonti, Christy; Diamond-Stanic, Aleksandar M.; Law, David R.; Cherinka, Brian; Yan, Renbin; Snchez-Gallego, Jos R.; Drory, Niv; MacDonald, Nicholas; Weijmans, Anne-Marie; Thomas, Daniel; Masters, Karen; Coccato, Lodovico; Aragn-Salamanca, Alfonso; Avila-Reese, Vladimir; Badenes, Carles; Falcn-Barroso, Jsus; Belfiore, Francesco; and others

    2015-01-01

    We present an overview of a new integral field spectroscopic survey called MaNGA (Mapping Nearby Galaxies at Apache Point Observatory), one of three core programs in the fourth-generation Sloan Digital Sky Survey (SDSS-IV) that began on 2014 July 1. MaNGA will investigate the internal kinematic structure and composition of gas and stars in an unprecedented sample of 10,000 nearby galaxies. We summarize essential characteristics of the instrument and survey design in the context of MaNGA's key science goals and present prototype observations to demonstrate MaNGA's scientific potential. MaNGA employs dithered observations with 17 fiber-bundle integral field units that vary in diameter from 12'' (19 fibers) to 32'' (127 fibers). Two dual-channel spectrographs provide simultaneous wavelength coverage over 3600-10300 at R ? 2000. With a typical integration time of 3 hr, MaNGA reaches a target r-band signal-to-noise ratio of 4-8 ({sup 1} per 2'' fiber) at 23 AB mag arcsec{sup 2}, which is typical for the outskirts of MaNGA galaxies. Targets are selected with M {sub *} ? 10{sup 9} M {sub ?} using SDSS-I redshifts and i-band luminosity to achieve uniform radial coverage in terms of the effective radius, an approximately flat distribution in stellar mass, and a sample spanning a wide range of environments. Analysis of our prototype observations demonstrates MaNGA's ability to probe gas ionization, shed light on recent star formation and quenching, enable dynamical modeling, decompose constituent components, and map the composition of stellar populations. MaNGA's spatially resolved spectra will enable an unprecedented study of the astrophysics of nearby galaxies in the coming 6yr.

  20. ALD TiO2-Al2O3 Stack: An Improved Gate Dielectrics on Ga-polar GaN MOSCAPs

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

    Wei, Daming; Edgar, James H.; Briggs, Dayrl P.; Srijanto, Bernadeta R.; Retterer, Scott T.; Meyer, III, Harry M.

    2014-10-15

    This research focuses on the benefits and properties of TiO2-Al2O3 nano-stack thin films deposited on Ga2O3/GaN by plasma-assisted atomic layer deposition (PA-ALD) for gate dielectric development. This combination of materials achieved a high dielectric constant, a low leakage current, and a low interface trap density. Correlations were sought between the films’ structure, composition, and electrical properties. The gate dielectrics were approximately 15 nm thick and contained 5.1 nm TiO2, 7.1 nm Al2O3 and 2 nm Ga2O3 as determined by spectroscopic ellipsometry. The interface carbon concentration, as measured by x-ray photoelectron spectroscopy (XPS) depth profile, was negligible for GaN pretreated bymore » thermal oxidation in O2 for 30 minutes at 850°C. The RMS roughness slightly increased after thermal oxidation and remained the same after ALD of the nano-stack, as determined by atomic force microscopy. The dielectric constant of TiO2-Al2O3 on Ga2O3/GaN was increased to 12.5 compared to that of pure Al2O3 (8~9) on GaN. In addition, the nano-stack's capacitance-voltage (C-V) hysteresis was small, with a total trap density of 8.74 × 1011 cm-2. The gate leakage current density (J=2.81× 10-8 A/cm2) was low at +1 V gate bias. These results demonstrate the promising potential of plasma ALD deposited TiO2/Al2O3 for serving as the gate oxide on Ga2O3/GaN based MOS devices.« less

  1. 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.

  2. 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

  3. Highly (001) oriented L1{sub 0}-CoPt/TiN multilayer films on glass substrates with perpendicular magnetic anisotropy

    SciTech Connect (OSTI)

    An, Hongyu; Sannomiya, Takumi; Muraishi, Shinji; Nakamura, Yoshio; Shi, Ji; Xie, Qian; Zhang, Zhengjun; Wang, Jian

    2015-03-15

    To obtain strong perpendicular magnetic anisotropy (PMA) based on L1{sub 0} structure for magnetic storage devices, costly single crystalline substrates are generally required to achieve (001) texture. Recently, various studies also have focused on depositing different kinds of seed layers on glass or other amorphous substrates to promote (001) preferred orientation of L1{sub 0} CoPt and FePt. TiN is a very promising seed layer material because of its cubic crystalline structure (similar to MgO) and excellent diffusion barring property even at high temperatures. In the present work, highly (001) oriented L1{sub 0}-CoPt/TiN multilayer films have been successfully deposited on glass substrates. After annealing at 700 °C, the film exhibits PMA, and a strong (001) peak is detected from the x-ray diffraction profiles, indicating the ordering transformation of CoPt layers from fcc (A1) to L1{sub 0} structure. It also is found that alternate deposition of cubic TiN and CoPt effectively improves the crystallinity and (001) preferred orientation of CoPt layers. This effect is verified by the substantial enhancement of (001) reflection and PMA with increasing the period number of the multilayer films.

  4. Hydrogen Reactivity on Highly-hydroxylated TiO2(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis

    SciTech Connect (OSTI)

    Du, Yingge; Petrik, Nikolay G.; Deskins, N. Aaron; Wang, Zhitao; Henderson, Michael A.; Kimmel, Gregory A.; Lyubinetsky, Igor

    2012-02-27

    Combined scanning tunneling microscopy, temperature-programmed desorption, photo stimulated desorption, and density functional theory studies have probed the formation and reactivity of highly-hydroxylated rutile TiO2(110) surfaces, which were prepared via a novel, photochemical route using trimethyl acetic acid (TMAA) dissociative adsorption and subsequent photolysis at 300 K. Deprotonation of TMAA molecules upon adsorption produces both surface bridging hydroxyls (OHb) and bidentate trimethyl acetate (TMA) species with a saturation coverage of near 0.5 monolayer (ML). Ultra-violet light irradiation selectively removes TMA species, producing a highly-hydroxylated surface with up to ~0.5 ML OHb coverage. At high coverages, the OHb species typically occupy second-nearest neighbor sites along the bridging oxygen row locally forming linear (21) structures of different lengths, although the surface is less ordered on a long scale. The annealing of the highly-hydroxylated surface leads to hydroxyl recombination and H2O desorption with ~100% yield, thus ruling out the diffusion of H into the bulk that has been suggested in the literature. In agreement with experimental data, theoretical results show that the recombinative H2O desorption is preferred over both H bulk diffusion and H2 desorption processes.

  5. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO{sub 3−δ}

    SciTech Connect (OSTI)

    Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

    2015-02-07

    Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO{sub 3} ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr{sub 2}O{sub 3} versus Pr{sub 6}O{sub 11}) on the synthesis and electronic transport in Pr-doped SrTiO{sub 3} ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO{sub 3} ceramics and provide new insight on further improvement of the thermoelectric power factor.

  6. Electrical switching effect of a single-unit-cell CrO{sub 2} layer on rutile TiO{sub 2} surface

    SciTech Connect (OSTI)

    Li, Si-Da; Liu, Bang-Gui

    2014-03-24

    Rutile CrO{sub 2} is the most important half-metallic material with nearly 100% spin polarization at the Fermi level, and rutile TiO{sub 2} is a wide-gap semiconductor with many applications. Here, we show through first-principles investigation that a single-unit-cell CrO{sub 2} layer on rutile TiO{sub 2} (001) surface is ferromagnetic and semiconductive with a gap of 0.54 eV, and its electronic state transits abruptly to a typical metallic state when an electrical field is applied. Consequently, this makes an interesting electrical switching effect which may be useful in designing spintronic devices.

  7. Facile method for synthesis of TiO{sub 2} film and its application in high efficiency dye sensitized-solar cell (DSSC)

    SciTech Connect (OSTI)

    Widiyandari, Hendri Gunawan, S. K.V.; Suseno, Jatmiko Endro; Purwanto, Agus; Diharjo, Kuncoro

    2014-02-24

    Dye-sensitized solar cells (DSSC) is a device which converts a solar energy to electrical energy. Different with semiconductor thin film based solar cell, DSSC utilize the sensitized-dye to absorb the photon and semiconductor such as titanium dioxide (TiO{sub 2}) and zinc oxide (ZnO) as a working electrode photoanode. In this report, the preparation of TiO{sub 2} film using a facile method of spray deposition and its application in DSSC have been presented. TiO{sub 2} photoanode was synthesized by growing the droplet of titanium tetraisopropoxide diluted in acid solution on the substrate of conductive glass flourine-doped tin oxide (FTO) with variation of precursor volume. DSSC was assemblied by sandwiching both of photoanode electrode and platinum counter electrode subsequently filling the area between these electrodes with triodine/iodine electrolite solution as redox pairs. The characterization of the as prepared DSSC using solar simulator (AM 1.5G, 100 mW/cm{sup 2}) and I-V source meter Keithley 2400 showed that the performance of DSSC was affected by the precursor volume.. The overall conversion efficiency of DSSC using the optimum TiO{sub 2} film was about 1.97% with the open circuit voltage (V{sub oc}) of 0.73 V, short circuit current density (J{sub sc}) of 4.61 mA and fill factor (FF) of 0.58.

  8. Improvement in performance of electrically tunable devices based on nonlinear dielectric SrTiO{sub 3} using a homoepitaxial LaAlO{sub 3} interlayer

    SciTech Connect (OSTI)

    Jia, Q.X.; Findikoglu, A.T.; Reagor, D.; Lu, P.

    1998-08-01

    Improved structural and dielectric properties of nonlinear dielectric SrTiO{sub 3} thin films on LaAlO{sub 3} substrates were accomplished by incorporating a {ital homoepitaxial} LaAlO{sub 3} interlayer between the substrate and the dielectric film. Using this interlayer, the quality factor of SrTiO{sub 3} films with high-temperature superconducting YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} electrodes on LaAlO{sub 3} substrates was improved by more than 50{percent} at 4.2 GHz and 4 K. This improvement, combined with no change in nonlinearity, led to greater than a 50{percent} enhancement of the finesse factor (defined as the product of the quality factor and the fractional shift resonant frequency) for the coplanar waveguide microwave resonators. The reduced planar defect density in the SrTiO{sub 3} films was attributed to this improvement. {copyright} {ital 1998 American Institute of Physics.}

  9. Effects of testing and storage environments on mechanical properties of Ni-plated and bare U-3/4 wt% Ti

    SciTech Connect (OSTI)

    Zehr, S.W.; Johnson, H.R.; Smugeresky, J.E.; Pashman, K.A.; Nagelberg, A.S.

    1980-01-01

    It was found that storage environments with an adequate supply of oxygen can effectively minimize moisture corrosion of bare U-3/4 Ti. In particular, 0.75 cm/sup 3/ of dry air is calculated to protect 1 cm/sup 2/ of U-3/4 Ti for 20 years storage at room temperature. Consideration of the geometric details of U-3/4 Ti alloy specimens and the free volumes of air (and hence O/sub 2/) available can satisfactorily explain discrepancies in corrosion behavior between recent tests and previously reported data. The storage environment at 70/sup 0/C produces a minor strength increase in bare samples with increasing time. Decreases in ductility are observed for testing conditions of low temperature, low strain rate, and/or high humidity. Surface cracks occur under the same conditions conducive to corrosion, i.e., moderate temperatures, low strain rates, and high humidity. Significant increases in strength result under low-temperature and high-strain-rate conditions of tensile testing. Residual chloride contamination may be responsible for the occasional and otherwise unexplained large scatter in ductility for nominally similar specimens and test conditions. Nickel plating is observed to cause a statistically significant decrease in tensile strength, but no effect on the yield strength or ductility was observed and the presence of high explosive during the aging of tensile bars was observed to have no effect on mechanical properties.

  10. 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.

  11. New compact hohlraum configuration research at the 1.7 MA Z-pinch generator

    SciTech Connect (OSTI)

    Kantsyrev, V. L. Shrestha, I. K.; Esaulov, A. A.; Safronova, A. S.; Shlyaptseva, V. V.; Osborne, G. C.; Astanovitsky, A. L.; Weller, M. E.; Stafford, A.; Schultz, K. A.; Cooper, M. C.; Chuvatin, A. S.; Rudakov, L. I.; Velikovich, A. L.; Cuneo, M. E.; Jones, B.; Vesey, R. A.

    2014-12-15

    A new compact Z-pinch x-ray hohlraum design with parallel-driven x-ray sources was experimentally demonstrated in a full configuration with a central target and tailored shine shields (to provide a symmetric temperature distribution on the target) at the 1.7 MA Zebra generator. This presentation reports on the joint success of two independent lines of research. One of these was the development of new sources – planar wire arrays (PWAs). PWAs turned out to be a prolific radiator. Another success was the drastic improvement in energy efficiency of pulsed-power systems, such as the Load Current Multiplier (LCM). The Zebra/LCM generator almost doubled the plasma load current to 1.7 MA. The two above-mentioned innovative approaches were used in combination to produce a new compact hohlraum design for ICF, as jointly proposed by SNL and UNR. Good agreement between simulated and measured radiation temperature of the central target is shown. Experimental comparison of PWAs with planar foil liners (PFL) - another viable alternative to wire array loads at multi-MA generators show promising data. Results of research at the University of Nevada Reno allowed for the study of hohlraum coupling physics at University-scale generators. The advantages of new hohlraum design applications for multi-MA facilities with W or Au double PWAs or PFL x-ray sources are discussed.

  12. 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...

  13. 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,...

  14. 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...

  15. 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...

  16. UCRL-MA-110662 PT I U

    Office of Scientific and Technical Information (OSTI)

    ... gtime.f. It obtains the clock time and the date (which are then stamped on code output). ... This module is presently not used. It gets the system clock time. See also timdatf. This ...

  17. Office of Informaiton Resources (MA-90)

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

    The report will be made available on the World Wide Web through the FOIA Home Page of the ... DC 20585 202-586-5955 B. The World Wide Web address to obtain an electronic copy of the ...

  18. Development of ITER 15 MA ELMy H-mode Inductive Scenario

    SciTech Connect (OSTI)

    Kessel, C. E.; Campbell, D.; Gribov, Y.; Saibene, G.; Ambrosino, G.; Casper, T.; Cavinato, M.; Fujieda, H.; Hawryluk, R.; Horton, L. D.; Kavin, A.; Kharyrutdinov, R.; Koechl, F.; Leuer, J.; Loarte, A.; Lomas, P. J.; Luce, T.; Lukash, V.; Mattei, M.; Nunes, I.; Parail, V.; Polevoi, A.; Portone, A.; Sartori, R.; Sips, A. C.C.; Thomas, P. R.; Welander, A.; Wesley, J.

    2008-10-16

    The poloidal field (PF) coil system on ITER, which provides both feedforward and feedback control of plasma position, shape, and current, is a critical element for achieving mission performance. Analysis of PF capabilities has focused on the 15 MA Q = 10 scenario with a 300-500 s flattop burn phase. The operating space available for the 15 MA ELMy H-mode plasma discharges in ITER and upgrades to the PF coils or associated systems to establish confidence that ITER mission objectives can be reached have been identified. Time dependent self-consistent free-boundary calculations were performed to examine the impact of plasma variability, discharge programming, and plasma disturbances. Based on these calculations a new reference scenario was developed based upon a large bore initial plasma, early divertor transition, low level heating in L-mode, and a late H-mode onset. Equilibrium analyses for this scenario indicate that the original PF coil limitations do not allow low li (<0.8) operation or lower flux states, and the flattop burn durations were predicted to be less than the desired 400 s. This finding motivates the expansion of the operating space, considering several upgrade options to the PF coils. Analysis was also carried out to examine the feedback current reserve required in the CS and PF coils during a series of disturbances and a feasibility assessment of the 17 MA scenario was undertaken. Results of the studies show that the new scenario and modified PF system will allow a wide range of 15 MA 300-500 s operation and more limited but finite 17 MA operation.

  19. Roadmap to MaRIE May 2015

    SciTech Connect (OSTI)

    Barnes, Cris William

    2015-05-19

    Los Alamos National Laboratory (LANL) hosted the Stewardship Science Academic Programs Symposium, which is designed to foster relationships among young scientists, sponsors and the National Nuclear Security Administration national laboratories. The event highlights much of the work done by prominent scientists and allows attendees to view the multiple on site facilities at LANL.

  20. Enhanced electrical and magnetic properties in La{sub 0.7}Sr{sub 0.3}MnO{sub 3} thin films deposited on CaTiO{sub 3}-buffered silicon substrates

    SciTech Connect (OSTI)

    Adamo, C.; Méchin, L.; Guillet, B.; Wu, S.; Routoure, J.-M.; Heeg, T.; Katz, M.; Pan, X. Q.; Mercone, S.; Schubert, J.; Zander, W.; Misra, R.; Schiffer, P.; and others

    2015-06-01

    We investigate the suitability of an epitaxial CaTiO{sub 3} buffer layer deposited onto (100) Si by reactive molecular-beam epitaxy (MBE) for the epitaxial integration of the colossal magnetoresistive material La{sub 0.7}Sr{sub 0.3}MnO{sub 3} with silicon. The magnetic and electrical properties of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} films deposited by MBE on CaTiO{sub 3}-buffered silicon (CaTiO{sub 3}/Si) are compared with those deposited on SrTiO{sub 3}-buffered silicon (SrTiO{sub 3}/Si). In addition to possessing a higher Curie temperature and a higher metal-to-insulator transition temperature, the electrical resistivity and 1/f noise level at 300 K are reduced by a factor of two in the heterostructure with the CaTiO{sub 3} buffer layer. These results are relevant to device applications of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} thin films on silicon substrates.

  1. DOE_MA0518 December 2000

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

    was written in conjunction with the 50th anniversary commemoration of the Nevada Test Site. The history was released at the official celebration held in Las Vegas, Nevada, on December 18, 2000, fifty years after President Harry S. Truman formally designated the site as the location for conducting nuclear weapons tests within the continental United States. The history represents a unique partnership between a field office and two headquarters offices of the U.S. Department of Energy. The

  2. 02-01-2011 Final MA Testimony

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

    CONTRACTING OVERSIGHT COMMITTEE ON HOMELAND SECURITY AND GOVERNMENTAL AFFAIRS U.S. SENATE FEBRUARY 1, 2011 Madam Chairman and Members of the Subcommittee, my name is Ingrid Kolb. I serve as the Director, Office of Management at the U.S. Department of Energy. I am pleased to be here today to discuss with you how the Department uses audit services to detect and prevent waste, fraud, and abuse in government contracts, to provide contracting officers reasonable assurance whether contractor

  3. Effect of the out-of-plane stress on the properties of epitaxial SrTiO{sub 3} films with nano-pillar array on Si-substrate

    SciTech Connect (OSTI)

    Bai, Gang; Xie, Qiyun; Liu, Zhiguo; Wu, Dongmei

    2015-08-21

    A nonlinear thermodynamic formalism has been proposed to calculate the physical properties of the epitaxial SrTiO{sub 3} films containing vertical nano-pillar array on Si-substrate. The out-of-plane stress induced by the mismatch between film and nano-pillars provides an effective way to tune the physical properties of ferroelectric SrTiO{sub 3} films. Tensile out-of-plane stress raises the phase transition temperature and increases the out-of-plane polarization, but decreases the out-of-plane dielectric constant below Curie temperature, pyroelectric coefficient, and piezoelectric coefficient. These results showed that by properly controlling the out-of-plane stress, the out-of-plane stress induced paraelectric-ferroelectric phase transformation will appear near room temperature. Excellent dielectric, pyroelectric, piezoelectric properties of these SrTiO{sub 3} films similar to PZT and other lead-based ferroelectrics can be expected.

  4. Climate Action Champions: Boston, MA | Department of Energy

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

    Boston, MA Climate Action Champions: Boston, MA Boston is the largest city in New England and one of the oldest in the United States. Home to sixty colleges and universities, world-renowned medical facilities, nationally competitive professional sports teams, and thriving music and arts scene, Boston is a cultural hub and leader in innovation. | Photo courtesy of the City of Boston. Boston is the largest city in New England and one of the oldest in the United States. Home to sixty colleges and

  5. First principles investigation of Ti adsorption and migration on Si(100) surfaces

    SciTech Connect (OSTI)

    Briquet, Ludovic G. V.; Wirtz, Tom; Philipp, Patrick

    2013-12-28

    The titanium adsorption on Si(100) is investigated using first principles computer modelling methods. Two new subsurface adsorption sites are described. They are located at the edge of the cavity topped by a surface silicon dimer. The migration of the titanium from the surface to the subsurface sites is facilitated when occurring via one of these sites. The ejection of one of the silicon atoms forming the surface dimer is also investigated. The actual step of the ejection requires more energy than previously thought although, when considering the global picture of a titanium atom on the surface leading to the ejection of a silicon atom, the overall rate is compensated by the facilitated migration of the titanium to the subsurface sites. The consecutive adsorption of a second and third titanium atom is also investigated. It is shown that titanium grows evenly on the surface in normal condition, showing no intermixing of the titanium and silicon beyond the silicon layer.

  6. Effect of oxygen incorporation on structural and properties of Ti-Si-N nanocomposite coatings deposited by reactive unbalanced magnetron sputtering

    SciTech Connect (OSTI)

    Ding, X.Z.; Zeng, X.T.; Liu, Y.C.; Zhao, L.R.

    2006-07-15

    Ti-Si-N-O nanocomposite coatings with different contents of oxygen were deposited by a combined dc/rf reactive unbalanced magnetron sputtering process in an Ar+N{sub 2}+O{sub 2} mixture atmosphere. The composition, structure, mechanical, and tribological properties of the as-deposited coatings were analyzed by energy dispersive analysis of x-rays, x-ray diffraction (XRD), nanoindentation, and pin-on-disk tribometer experiments, respectively. It was found that in the range of lower oxygen content with atomic ratio of O/N{<=}0.72, the tribological properties of the Ti-Si-N-O coatings are evidently improved, in comparison with the coating without oxygen incorporation. At O/N=0.72, the friction coefficient and wear rate of the as-deposited coatings are reduced to 20% and 45%, respectively. Meanwhile, however, their hardness was not reduced, but, on the contrary, slightly increased. With increasing oxygen content further to O/N{>=}0.72, coating hardness decreased significantly. The friction coefficient of the as-deposited coatings decreased monotonously with the increase of oxygen content in the whole composition range investigated. The wear rate of the coatings exhibited a minimum value at around O/N=0.72. In the lower range of O/N, wear rate decreased significantly due to the lubricant effect of oxygen incorporation, while in the higher range of O/N, wear rate increased gradually due to the weakening of coating hardness. XRD patterns revealed that the as-deposited coatings were mainly crystallized in cubic TiN phase, accompanied with minority of rutile structure titania in the case of higher oxygen incorporation.

  7. Heterogeneity of hydroxyl and deuteroxyl groups on the surface of TiO{sub 2} polymorphs

    SciTech Connect (OSTI)

    Contescu, C.; Popa, V.T.; Schwarz, J.A.

    1996-06-01

    Potentiometric titration data from pure rutile, anatase, and a commercial fumed titania (Degussa P25) were analyzed in terms of proton binding isotherms from which proton affinity distributions (PADs) of surface sites were obtained. As-received samples, whose thermal and storage history were not systematically controlled, as well as samples subjected to controlled calcination-rehydration-drying treatments were studied. The results indicated the occurrence of a limited number of surface groups on the two polymorphs. The behavior of pure rutile and anatase could be admixed to simulate the acid-base behavior of the commercial sample; on this basis the surface of fumed titania consists largely of anatase-like structures with a small contribution (7%) of rutile-like groups. The region of {nu}{sub OD} stretching vibrations of isolated -OD groups on extensively dehydroxylated samples was found to correlate with the pK`s determined from PADs. A qualitative assignment of measured pK values based on either the original MUSIC model (Hiemstra, T., de Wit, J.C.M., and Van Riemsdijk, W.H., J. Colloid Interface Sci. 133, 105 (1989)) or a refined version of it is presented.

  8. The influence of hydrogen and the interface phase on fracture in Ti code 12

    SciTech Connect (OSTI)

    Moody, N.R.; Greulich, F.A.; Robinson, S.L.

    1984-10-01

    These results show that hydrogen-induced stepped cleavage and intergranular fracture modes are related to the IFP. Increased hydrogen concentration results in a wider IFP and, therefore, increased deformation on (111) planes. Fracture can subsequently occur along these planes giving the stepped cleavage appearance. When (111) planes are not in a favorable orientation for fracture, fracture along the ..cap alpha../IFP boundary can occur.

  9. Dynamic ESR study of oxygen chemisorption on TiO[sub 2]-based catalysts

    SciTech Connect (OSTI)

    Qin, D.; Chang, W.; Chen, Y.; Zhou, J.; Chen, Y.; Gong, M. )

    1993-08-01

    The process of methane oxidative coupling (MOC) is promising for the development of methane-based industries. Many papers exist on the preparation of catalysts and the mechanism of the reaction. In the MOC reaction, methane is supposed to be activated through abstraction of an H atom from CH[sub 4] by an active oxygen species. Lunsford and his co-workers detected (Li[sup +]O[sup [minus

  10. 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