National Library of Energy BETA

Sample records for na ti ona

  1. A=18Na (1995TI07)

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

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

  2. A=19Na (1995TI07)

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

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

  3. A=20Na (1998TI06)

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

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

  4. A=16Na (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  5. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 | Department of

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

    Energy Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 A presentation about how hydrogen can be reversibly absorbed and desorbed from NaAlH4 under moderate conditions by the addition of catalysts. catalytic_effect_of_ti.pdf (877.97 KB) More Documents & Publications Final Report for the DOE Metal Hydride Center of Excellence Effects of Point Defects and Impurities on Kinetics in NaAlH4 Prediction of New Hydrogen Storage Compounds

  6. Hydrothermal crystallization of Na{sub 2}Ti{sub 6}O{sub 13}, Na{sub 2}Ti{sub 3}O{sub 7}, and Na{sub 16}Ti{sub 10}O{sub 28} in the NaOH-TiO{sub 2}-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa: The structural mechanism of self-assembly of titanates from suprapolyhedral clusters

    SciTech Connect (OSTI)

    Hyushin, G. D.

    2006-07-15

    An increase in the NaOH concentration in the NaOH-TiO{sub 2} (rutile)-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa leads to the crystallization R-TiO{sub 2} + Na{sub 2}Ti{sub 6}O{sub 13} {sup {yields}} Na{sub 2}Ti{sub 3}O{sub 7} {sup {yields}} Na{sub 16}Ti{sub 10}O{sub 28}. Crystals of the Na{sub 2}Ti{sub 6}O{sub 13} titanate (space group C2/m) have the three-dimensional framework structure Ti{sub 6}O{sub 13}. The structure of the Na{sub 2}Ti{sub 3}O{sub 7} titanate (space group P2{sub 1}/m) contains the two-dimensional layers Ti{sub 3}O{sub 7}. The structure of the Na{sub 16}Ti{sub 10}O{sub 28} titanate (space group P-1) is composed of the isolated ten-polyhedron cluster precursors Ti{sub 10}O{sub 28}. In all the structures, the titanium atoms have an octahedral coordination (MTiO{sub 6}). The matrix self-assembly of the Na{sub 2}Ti{sub 6}O{sub 13} and Na{sub 2}Ti{sub 3}O{sub 7} (Na{sub 4}Ti{sub 6}O{sub 14}) crystal structures from Na{sub 4}M{sub 12} invariant precursors is modeled. These precursors are clusters consisting of twelve M polyhedra linked through the edges. It is demonstrated that the structurally rigid precursors Na{sub 4}M{sub 12} control all processes of the subsequent evolution of the crystal-forming titanate clusters. The specific features of the self-assembly of the Na{sub 2}Ti{sub 3}O{sub 7} structure that result from the additional incorporation of twice the number of sodium atoms into the composition of the high-level clusters are considered.

  7. Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH{sub 4}

    SciTech Connect (OSTI)

    Delmelle, Renaud; Borgschulte, Andreas; Gehrig, Jeffrey C.; Züttel, Andreas

    2014-12-15

    The reversibility of hydrogen sorption in complex hydrides has only been shown unambiguously for NaAlH{sub 4} doped with transition metal compounds. Despite a multitude of investigations of the effect of the added catalyst on the hydrogen sorption kinetics of NaAlH{sub 4}, the mechanism of catalysis remains elusive so far. Following the decomposition of TiCl{sub 3}-doped NaAlH{sub 4} by in-situ X-ray photoelectron spectroscopy (XPS), we link the chemical state of the dopant with those of the hydride and decomposition products. Titanium and aluminium change their oxidation states during cycling. The change of the formal oxidation state of Al from III to zero is partly due to the chemical reaction from NaAlH{sub 4} to Al. Furthermore, aluminium oxide is formed (Al{sub 2}O{sub 3}), which coexists with titanium oxide (Ti{sub 2}O{sub 3}). The interplay of metallic and oxidized Ti with the oxide skin might explain the effectiveness of Ti and similar dopants (Ce, Zr…)

  8. Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4

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

    Catalytic Effect of Ti for Hydrogen Cycling in NaAlH 4 Mei-Yin Chou School of Physics Georgia Institute of Technology (DE-FG02-05ER46229) Acknowledgment: Yan Wang, Roland Stumpf Why is NaAlH 4 interesting? A viable candidate for hydrogen-storage material: High theoretical weight-percent hydrogen content of 5.55% and low cost But (before 1997) Dehydrogenation occurs at high temperature; rehydrogenation is difficult. Bogdanovic and Schwickardi, 1997 Hydrogen can be reversibly absorbed and desorbed

  9. Thermochemical generation of hydrogen and oxygen from water. [NaMnO/sub 2/ and TiO/sub 2/

    DOE Patents [OSTI]

    Robinson, P.R.; Bamberger, C.E.

    1980-02-08

    A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO/sub 2/) and titanium dioxide (TiO/sub 2/) to form sodium titanate (Na/sub 2/TiO/sub 3/), manganese (II) titanate (MnTiO/sub 3/) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

  10. NA-42 TI Shared Software Component Library FY2011 Final Report

    SciTech Connect (OSTI)

    Knudson, Christa K.; Rutz, Frederick C.; Dorow, Kevin E.

    2011-07-21

    The NA-42 TI program initiated an effort in FY2010 to standardize its software development efforts with the long term goal of migrating toward a software management approach that will allow for the sharing and reuse of code developed within the TI program, improve integration, ensure a level of software documentation, and reduce development costs. The Pacific Northwest National Laboratory (PNNL) has been tasked with two activities that support this mission. PNNL has been tasked with the identification, selection, and implementation of a Shared Software Component Library. The intent of the library is to provide a common repository that is accessible by all authorized NA-42 software development teams. The repository facilitates software reuse through a searchable and easy to use web based interface. As software is submitted to the repository, the component registration process captures meta-data and provides version control for compiled libraries, documentation, and source code. This meta-data is then available for retrieval and review as part of library search results. In FY2010, PNNL and staff from the Remote Sensing Laboratory (RSL) teamed up to develop a software application with the goal of replacing the aging Aerial Measuring System (AMS). The application under development includes an Advanced Visualization and Integration of Data (AVID) framework and associated AMS modules. Throughout development, PNNL and RSL have utilized a common AMS code repository for collaborative code development. The AMS repository is hosted by PNNL, is restricted to the project development team, is accessed via two different geographic locations and continues to be used. The knowledge gained from the collaboration and hosting of this repository in conjunction with PNNL software development and systems engineering capabilities were used in the selection of a package to be used in the implementation of the software component library on behalf of NA-42 TI. The second task managed by PNNL

  11. Na9K16TI~25: A New Phase Containing Naked Icosahedral Cluster Fragments Ti99-

    SciTech Connect (OSTI)

    Li, Bin; Corbett, John D.

    2007-12-05

    The phase Na{sub 9}K{sub 16}Tl{sub 25.25(2)} was synthesized by fusion of the elements in sealed Ta containers followed by quenching and annealing at 250 C. The structure established by single crystal X-ray diffraction means (P6{sub 3}/m, Z = 2, a = 19.376(3) {angstrom}, c = 11.480(2) {angstrom}) features Tl{sub 9}{sup 9-} clusters. These are well separated by cations that bridge between, faces, edges, and vertices of the clusters; sodium appears to be essential in this role. This is the third compound known to contain Tl{sub 9} clusters, but here two of nine sites are partially occupied, which can be interpreted as a 70:30 mixture of Tl{sub 9} and Tl{sub 7} units in the same cavity. This Tl{sub 9} example also displays lower symmetry (C{sub s}) but requires the same 2n skeletal electrons. EHTB electronic structure calculations indicate that the Fermi level intersects a finite densities-of-states (DOS), and only some bonds are optimized at E{sub F}, giving some insight regarding the site of Tl deficiency. Direct geometric relationships are found among Tl{sub 13}, Tl{sub 9}, Tl{sub 7} and Tl{sub 5} clusters through systematic removal of vertices.

  12. Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K???Bi???TiO?-BaTiO?-Na???Bi???TiO? piezoelectric materials

    SciTech Connect (OSTI)

    Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

    2015-02-26

    We synthesized grain-oriented lead-free piezoelectric materials in (K???Bi???TiO?-BaTiO?-xNa???Bi???TiO? (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d?? ~ 190pC/N) and high temperature stability (~160C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180 domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectric materials.

  13. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

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

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; et al

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accuratelymore » identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.« less

  14. Structure and ferroelectricity of nonstoichiometric (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3}

    SciTech Connect (OSTI)

    Carter, Jared; Aksel, Elena; Iamsasri, Thanakorn; Forrester, Jennifer S.; Jones, Jacob L.; Chen, Jun

    2014-03-17

    Stoichiometric (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3} (NBT) adopts the ABO{sub 3} perovskite structure with the A-site equally occupied by Na{sup +} and Bi{sup 3+} ions. However, non-stoichiometric compositions can be synthesized intentionally or unintentionally. To determine the effect of A-site nonstoichiometry on the crystal structure and ferroelectricity of NBT, the composition of (Na{sub 0.5?x}Bi{sub 0.5+x})TiO{sub 3+x} was varied using x?=??0.01, ?0.005, 0, 0.005, and 0.01. High resolution synchrotron x-ray diffraction and Rietveld refinement revealed that a shift in either direction from x = 0 results in a decrease in the spontaneous ferroelastic strain. Ferroelectric hysteresis and piezoelectric coefficients were found to be optimum in the stoichiometric composition.

  15. Evolution of structure in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3} single crystals with BaTiO{sub 3}

    SciTech Connect (OSTI)

    Ge, Wenwei Luo, Chengtao; Li, Jiefang; Viehland, D.; Zhang, Qinhui; Luo, Haosu; Ren, Yang

    2014-10-20

    The structural, dielectric, and piezoelectric properties of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-x mol. %BaTiO{sub 3} (NBT-x%BT) crystals have been investigated. The dielectric and piezoelectric properties of NBT-x%BT were enhanced near x = 5–7. High resolution synchrotron x-ray powder diffraction studies revealed the presence of a phase boundary between monoclinic (Cc) and tetragonal (P4bm) phases near x = 5–7, where the dielectric and piezoelectric properties were enhanced.

  16. Aging in the relaxor and ferroelectric state of Fe-doped (1-x)(Bi{sub 1/2}Na{sub 1/2})TiO₃-xBaTiO₃ piezoelectric ceramics

    SciTech Connect (OSTI)

    Sapper, Eva; Dittmer, Robert; Rödel, Jürgen; Damjanovic, Dragan; Erdem, Emre; Keeble, David J.; Jo, Wook; Granzow, Torsten

    2014-09-14

    Aging of piezoelectric properties was investigated in lead-free (1–x)(Bi{sub 1/2}Na{sub 1/2})TiO₃-xBaTiO₃ doped with 1at.% Fe. The relaxor character of the un-poled material prevents macroscopic aging effects, while in the field-induced ferroelectric phase aging phenomena are similar to those found in lead zirconate titanate or barium titanate. Most prominent aging effects are the development of an internal bias field and the decrease of switchable polarization. These effects are temperature activated, and can be explained in the framework of defect complex reorientation. This picture is further supported by electron paramagnetic resonance spectra indicating the existence of (Fe{sub Ti}´-V{sub O}{sup ••}){sup •} defect complexes in the Fe-doped material.

  17. Electric-field-induced strain contributions in morphotropic phase boundary composition of (Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-BaTiO{sub 3} during poling

    SciTech Connect (OSTI)

    Khansur, Neamul H.; Daniels, John E.; Hinterstein, Manuel; Wang, Zhiyang; Groh, Claudia; Jo, Wook

    2015-12-14

    The microscopic contributions to the electric-field-induced macroscopic strain in a morphotropic 0.93(Bi{sub 1/2}Na{sub 1/2}TiO{sub 3})−0.07(BaTiO{sub 3}) with a mixed rhombohedral and tetragonal structure have been quantified using full pattern Rietveld refinement of in situ high-energy x-ray diffraction data. The analysis methodology allows a quantification of all strain mechanisms for each phase in a morphotropic composition and is applicable to use in a wide variety of piezoelectric compositions. It is shown that during the poling of this material 24%, 44%, and 32% of the total macroscopic strain is generated from lattice strain, domain switching, and phase transformation strains, respectively. The results also suggest that the tetragonal phase contributes the most to extrinsic domain switching strain, whereas the lattice strain primarily stems from the rhombohedral phase. The analysis also suggests that almost 32% of the total strain is lost or is a one-time effect due to the irreversible nature of the electric-field-induced phase transformation in the current composition. This information is relevant to on-going compositional development strategies to harness the electric-field-induced phase transformation strain of (Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-based lead-free piezoelectric materials for actuator applications.

  18. 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.

  19. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

    SciTech Connect (OSTI)

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; Kang, Kisuk; Li, Hong; Yang, Xiao-Qing; Chen, Liquan; Huang, Xuejie

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accurately identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.

  20. 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.

  1. Piezoelectricity and local structural distortions in (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}Sr{sub x}TiO{sub 3}-Bi{sub 12}TiO{sub 20} flexoelectric-type polar ceramics

    SciTech Connect (OSTI)

    Wang, L. H.; Zhao, M. L.; Wang, C. L.; Wang, J.; Kuai, W. J.; Tao, X. T.

    2012-08-06

    We have previously described sintered Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-Bi{sub 12}TiO{sub 20} composites as flexoelectric-type polar ceramics because they have a net macroscopic flexoelectric polarization. Here, we report on the universal existence of the macroscopic flexoelectric polarization in the (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}Sr{sub x}TiO{sub 3}-Bi{sub 12}TiO{sub 20} system, in which enhanced piezoelectricity is observed. By combining Raman spectroscopy and x-ray photoelectron spectroscopy techniques, we have identified the local flexoelectric polarization as distorted BiO{sub 5} polyhedra and TiO{sub 6} octahedra in the SrTiO{sub 3}-Bi{sub 12}TiO{sub 20} ceramic. The macroscopic polarization may be due to the partial alignment of these distorted units located within the grain boundary amorphous phases. Bi{sub 12}TiO{sub 20} could have an important role in these flexoelectric-type polar ceramics.

  2. Cyclic electric field response of morphotropic Bi{sub 1/2}Na{sub 1/2}TiO{sub 3}-BaTiO{sub 3} piezoceramics

    SciTech Connect (OSTI)

    Hinterstein, M.; Schmitt, L. A.; Hoelzel, M.; Jo, W.; Rödel, J.; Kleebe, H.-J.; Hoffman, M.

    2015-06-01

    In this study, the evolution of field induced mechanisms in lead-free piezoelectric ceramics (1−x)Bi{sub 1/2}Na{sub 1/2}TiO{sub 3}-xBaTiO{sub 3} with x = 0.06 and 0.07 was investigated by transmission electron microscopy, neutron, and X-ray diffraction. Preliminary investigations revealed a strong degradation of macroscopic electromechanical properties within the first 100 bipolar electric cycles. Therefore, this structural investigation focuses on a comparative diffraction study of freshly prepared, poled, and fatigued specimens. Transmission electron microscopy and neutron diffraction of the initial specimens reveal the coexistence of a rhombohedral and a tetragonal phase with space group R3c and P4bm, respectively. In situ electric field X-ray diffraction reveals a pronounced field induced phase transition from a pseudocubic state to a phase composition of significantly distorted phases upon poling with an external electric field of 4 kV/mm. Although the structures of the two compositions are pseudocubic and almost indistinguishable in the unpoled virgin state, the electric field response shows significant differences depending on composition. For both compositions, the application of an electric field results in a field induced phase transition in the direction of the minority phase. Electric cycling has an opposite effect on the phase composition and results in a decreased phase fraction of the minority phase in the fatigued remanent state at 0 kV/mm.

  3. Low temperature structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} single crystal: Evidences from optical ellipsometry and Raman scattering

    SciTech Connect (OSTI)

    Huang, T.; Guo, S.; Xu, L. P.; Hu, Z. G. Chu, J. H.; Chen, C.; Luo, H. S.

    2015-06-14

    Optical properties and structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} (NBT-7%BT) single crystal have been studied by temperature-dependent optical ellipsometry and Raman spectroscopy from 4.2 to 300 K. The second derivative of the complex dielectric functions reveals two interband transitions (E{sub cp1} and E{sub cp2}) located at about 3.49 and 4.25 eV, respectively. Depending on the temperature evolution of electronic transitions, structural variations appear near 60, 150, and 240 K, respectively. These anomalies are also well illustrated from the low-frequency phonon modes involving vibrations of Bi. The low-temperature structural variations of NBT-7%BT crystal can be associated with instability of the crystalline lattice driven by off-centered Bi ions, followed by the variations of polarizability of the unit cells.

  4. Immobilization of sodium-bearing high-level radioactive waste in synroc containing (Na{sub 0.5}Nd{sub 0.5})TiO{sub 3}-type perovskite

    SciTech Connect (OSTI)

    Li, L.; Luo, S.; Tang, B.; Wang, D.

    1997-01-01

    This study on the immobilization of high-sodium-bearing HLW in synroc indicates that (Na{sub 0.5}Nd{sub 0.5})TiO{sub 3}-type perovskite can be used to incorporate a high content of sodium in synroc. Synroc samples containing 13.0 wt% waste oxide and 5.7 wt% Na{sub 2}O show very well chemical durability and physical properties. The standard Synroc-C formulation can incorporate only 2 wt% Na{sub 2}O, so this study greatly improved the immobilization ability of sodium in Synroc-related material.

  5. High Schottky barrier at grain boundaries observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics

    SciTech Connect (OSTI)

    Somphan, Weeraya; Thongbai, Prasit; Yamwong, Teerapon; Maensiri, Santi

    2013-10-15

    Graphical abstract: - Highlights: NSCTO exhibits a high ?? of 7.08.4 10{sup 3} and low tan ? of 0.0300.041. NSCTO exhibits a high E{sub b} of ?2208 V cm{sup ?1} and large ? of 15.6. Giant ?? response is attributed to the electrically heterogeneous microstructure. High ?{sub b} values at grain boundaries are found to be 0.9250.964 eV. Formation of a potential barrier at grain boundaries is caused by Schottky effect. - Abstract: The dielectric properties and nonlinear currentvoltage characteristics of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics prepared by a conventional solid state reaction method were investigated. Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics exhibited a high dielectric permittivity of 7.08.4 10{sup 3} and low loss tangent (tan ??0.0300.041). Non-Ohmic properties with a high breakdown voltage of ?2208 V cm{sup ?1} and large nonlinear coefficient of 15.6 were observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics. Using complex impedance analysis, Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were shown to be electrically heterogeneous consisting of semiconducting grains and insulating grain boundaries. Giant dielectric properties were described based on the electrically heterogeneous microstructure. X-ray photoelectron spectroscopy analysis suggested that the semiconductive nature of grains may be related to the presence of Cu{sup +} and Ti{sup 3+}. The formation of an electrostatic potential barrier at the grain boundaries of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics was suggested to be caused by the Schottky effect. Interestingly, high electrostatic potential barriers at grain boundaries in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were calculated and found to be 0.9250.964 eV.

  6. Evolution of structure in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3} single...

    Office of Scientific and Technical Information (OSTI)

    Evolution of structure in Nasub 0.5Bisub 0.5TiOsub 3 single crystals with BaTiOsub 3 Citation Details In-Document Search Title: Evolution of structure in Nasub 0.5Bisub ...

  7. High-performance symmetric sodium-ion batteries using a new, bipolar O3-type material, Na 0.8 Ni 0.4 Ti 0.6 O 2

    SciTech Connect (OSTI)

    Guo, Shaohua; Yu, Haijun; Liu, Pan; Ren, Yang; Zhang, Tao; Chen, Mingwei; Ishida, Masayoshi; Zhou, Haoshen

    2015-01-01

    Based on low-cost and rich resources, sodium-ion batteries have been regarded as a promising candidate for next-generation energy storage batteries in the large-scale energy applications of renewable energy and smart grids. However, there are some critical drawbacks limiting its application, such as safety and stability problems. In this work, a stable symmetric sodium-ion battery based on the bipolar, active O3-type material, Na0.8Ni0.4Ti0.6O2, is developed. This bipolar material shows a typical O3-type layered structure, containing two electrochemically active transition metals with redox couples of Ni4+/Ni2+ and Ti4+/Ti3+, respectively. This Na0.8Ni0.4Ti0.6O2-based symmetric cell exhibits a high average voltage of 2.8 V, a reversible discharge capacity of 85 mA h g(-1), 75% capacity retention after 150 cycles and good rate capability. This full symmetric cell will greatly contribute to the development of room-temperature sodium-ion batteries with a view towards safety, low cost and long life, and it will stimulate further research on symmetric cells using the same active materials as both cathode and anode.

  8. Octahedral tilt transitions in the relaxor ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3}

    SciTech Connect (OSTI)

    Meyer, Kai-Christian Gröting, Melanie; Albe, Karsten

    2015-07-15

    The kinetics of octahedral tilt transitions in the lead-free relaxor material sodium bismuth titanate Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} (NBT) is investigated by electronic structure calculations within density functional theory. Energy barriers for transitions between tetragonal, rhombohedral and orthorhombic tilts in cation configurations with [001]- and [111]-order on the A-sites are determined by nudged elastic band calculations. By tilting entire layers of octahedra simultaneously we find that the activation energy is lower for structures with 001-order compared to such with 111-order. The energetic coupling between differently tilted layers is, however, negligibly small. By introducing a single octahedral defect we create local tilt disorder and find that the deformation energy of the neighboring octahedra is less in a rhombohedral than in a tetragonal structure. By successively increasing the size of clusters of orthorhombic defects in a rhombohedral matrix with 001-order, we determine a critical cluster size of about 40 Å . Thus groups of about ten octahedra can be considered as nuclei for polar nanoregions, which are the cause of the experimentally observed relaxor behavior of NBT. - Graphical abstract: Nine orthorhombic oxygen octahedral tilt defects in a rhombohedral tilt configuration. - Highlights: • Chemical order influences energy barriers of octahedral tilt transitions. • The octahedral deformation energy is lower in rhombohedral phases. • Tilt defect clusters are more likely in rhombohedral structures. • Tilt defect clusters can act as nuclei for polar nanoregions.

  9. O3-type layered transition metal oxide Na(NiCoFeTi)1/4O2 as a high rate and long cycle life cathode material for sodium ion batteries

    SciTech Connect (OSTI)

    Yue, Ji -Li; Yang, Xiao -Qing; Zhou, Yong -Ning; Yu, Xiqian; Bak, Seong -Min; Fu, Zheng -Wen

    2015-10-09

    High rate capability and long cycle life are challenging goals for the development of room temperature sodium-ion batteries. Here we report a new single phase quaternary O3-type layer-structured transition metal oxide Na(NiCoFeTi)1/4O2 synthesized by a simple solid-state reaction as a new cathode material for sodium-ion batteries. It can deliver a reversible capacity of 90.6 mA h g–1 at a rate as high as 20C. At 5C, 75.0% of the initial specific capacity can be retained after 400 cycles with a capacity-decay rate of 0.07% per cycle, demonstrating a superior long-term cyclability at high current density. X-ray diffraction and absorption characterization revealed reversible phase transformations and electronic structural changes during the Na+ deintercalation/intercalation process. Ni, Co and Fe ions contribute to charge compensation during charge and discharge. Although Ti ions do not contribute to the charge transfer, they play a very important role in stabilizing the structure during charge and discharge by suppressing the Fe migration. Additionally, Ti substitution can also smooth the charge–discharge plateaus effectively, which provides a potential advantage for the commercialization of this material for room temperature sodium-ion batteries.

  10. O3-type layered transition metal oxide Na(NiCoFeTi)1/4O2 as a high rate and long cycle life cathode material for sodium ion batteries

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

    Yue, Ji -Li; Yang, Xiao -Qing; Zhou, Yong -Ning; Yu, Xiqian; Bak, Seong -Min; Fu, Zheng -Wen

    2015-10-09

    High rate capability and long cycle life are challenging goals for the development of room temperature sodium-ion batteries. Here we report a new single phase quaternary O3-type layer-structured transition metal oxide Na(NiCoFeTi)1/4O2 synthesized by a simple solid-state reaction as a new cathode material for sodium-ion batteries. It can deliver a reversible capacity of 90.6 mA h g–1 at a rate as high as 20C. At 5C, 75.0% of the initial specific capacity can be retained after 400 cycles with a capacity-decay rate of 0.07% per cycle, demonstrating a superior long-term cyclability at high current density. X-ray diffraction and absorption characterizationmore » revealed reversible phase transformations and electronic structural changes during the Na+ deintercalation/intercalation process. Ni, Co and Fe ions contribute to charge compensation during charge and discharge. Although Ti ions do not contribute to the charge transfer, they play a very important role in stabilizing the structure during charge and discharge by suppressing the Fe migration. Additionally, Ti substitution can also smooth the charge–discharge plateaus effectively, which provides a potential advantage for the commercialization of this material for room temperature sodium-ion batteries.« less

  11. Determination of crystallographic orientation of lead-free piezoelectric (K,Na)NbO{sub 3} epitaxial thin films grown on SrTiO{sub 3} (100) surfaces

    SciTech Connect (OSTI)

    Yu, Qi; Zhu, Fang-Yuan; Cheng, Li-Qian; Wang, Ke; Li, Jing-Feng

    2014-03-10

    Crystallographic structure of sol-gel-processed lead-free (K,Na)NbO{sub 3} (KNN) epitaxial films on [100]-cut SrTiO{sub 3} single-crystalline substrates was investigated for a deeper understanding of its piezoelectric response. Lattice parameter measurement by high-resolution X-ray diffraction and transmission electron microscopy revealed that the orthorhombic KNN films on SrTiO{sub 3} (100) surfaces are [010] oriented (b-axis-oriented) rather than commonly identified c-axis orientation. Based on the crystallographic orientation and corresponding ferroelectric domain structure investigated by piezoresponse force microscopy, the superior piezoelectric property along b-axis of epitaxial KNN films than other orientations can be explained.

  12. On the crystal energy and structure of A{sub 2}Ti{sub n}O{sub 2n+1} (A=Li, Na, K) titanates by DFT calculations and neutron diffraction

    SciTech Connect (OSTI)

    Catti, Michele; Pinus, Ilya; Scherillo, Antonella

    2013-09-15

    First-principles quantum-mechanical calculations (CRYSTAL09 code, B3LYP functional) were performed on alkali titanates A{sub 2}Ti{sub n}O{sub 2n+1} with layered structure (n=3,4,6). Monoclinic structural types with unshifted (P2{sub 1}/m) and with shifted (C2/m) layers were considered. Crystal energies and full structural details were obtained for all Li, Na, and K phases. Neutron diffraction data were collected on powder samples of P2{sub 1}/m-Li{sub 2}Ti{sub 3}O{sub 7} (a=9.3146(3), b=3.7522(1), c=7.5447(3) Å, β=97.611(4)°) and C2/m-K{sub 2}Ti{sub 4}O{sub 9} (a=18.2578(8), b=3.79160(9), c=12.0242(4) Å, β=106.459(4)°) and their structures were Rietveld-refined. Computed energies show the P2{sub 1}/m arrangement as favoured over the C2/m one for n=3, and the opposite holds for n=6. In the n=4 case the P2{sub 1}/m configuration is predicted to be more stable for Li and Na, and the C2/m one for K titanates. Analysis of Li–O and K–O crystal-chemical environments from experiment and theory shows that the alkali atom bonding is stabilized/destabilized in the different phases consistently with the energy trend. - Graphical abstract: Display Omitted - Highlights: • The P2{sub 1}/m structure-type is found to be more stable for A{sub 2}Ti{sub 3}O{sub 7} layer titanates. • The C2/m structure-type is found to be more stable for A{sub 2}Ti{sub 6}O{sub 13} layer titanates. • Tetratitanates are predicted to prefer the P2{sub 1}/m (Li and Na) or C2/m (K) structure. • Li–O and K–O bond distances follow a trend consistent with computed phase energies.

  13. Enhanced ferroelectric properties and thermal stability of nonstoichiometric 0.92(Na{sub 0.5}Bi{sub 0.5})TiO{sub 3}-0.08(K{sub 0.5}Bi{sub 0.5})TiO{sub 3} single crystals

    SciTech Connect (OSTI)

    Zhang, Haiwu E-mail: hsluo@mail.sic.ac.cn; Chen, Chao; Deng, Hao; Li, Long; Graduate University of Chinese Academy of Sciences, Beijing 100049 ; Zhao, Xiangyong; Lin, Di; Li, Xiaobing; Ren, Bo; Luo, Haosu E-mail: hsluo@mail.sic.ac.cn; Yan, Jun

    2013-11-18

    Bi deficient, Mn doped 0.92(Na{sub 0.5}Bi{sub 0.5})TiO{sub 3}-0.08(K{sub 0.5}Bi{sub 0.5})TiO{sub 3} single crystals were grown by carefully controlled top-seeded solution growth method. Local structures were investigated by transmission electron microscopy. The site occupation and valence state of manganese were characterized by electron paramagnetic resonance spectrum. The leakage current density in the as-grown single crystals is effectively depressed. The introduced defect complexes suppress the temperature induced phase transformation, increasing the depolarization temperature (165?C) and thermal stability of ferroelectric properties.

  14. Investigation of the hydrothermal crystallisation of the perovskite solid solution NaCe{sub 1?x}La{sub x}Ti{sub 2}O{sub 6} and its defect chemistry

    SciTech Connect (OSTI)

    Harunsani, Mohammad H.; Woodward, David I.; Peel, Martin D.; Ashbrook, Sharon E.; Walton, Richard I.

    2013-11-15

    Perovskites of nominal composition NaCe{sub 1?x}La{sub x}Ti{sub 2}O{sub 6} (0?x?1) crystallise directly under hydrothermal conditions at 240 C. Raman spectroscopy shows distortion from the ideal cubic structure and Rietveld analysis of powder X-ray and neutron diffraction reveals that the materials represent a continuous series in rhombohedral space group R3-bar c. Ce L{sub III}-edge X-ray absorption near edge structure spectroscopy shows that while the majority of cerium is present as Ce{sup 3+} there is evidence for Ce{sup 4+}. The paramagnetic Ce{sup 3+} affects the chemical shift and line width of {sup 23}Na MAS NMR spectra, which also show with no evidence for A-site ordering. {sup 2}H MAS NMR of samples prepared in D{sub 2}O shows the inclusion of deuterium, which IR spectroscopy shows is most likely to be as D{sub 2}O. The deuterium content is highest for the cerium-rich materials, consistent with oxidation of some cerium to Ce{sup 4+} to provide charge balance of A-site water. - Graphical abstract: A multi-element A-site perovskite crystallises directly from aqueous, basic solutions at 240 C; while the paramagnetic effect of Ce{sup 3+} on the {sup 23}Na NMR shows a homogeneous solid-solution, the incorporation of A-site water is also found from {sup 2}H NMR and IR, with oxidation of some cerium to charge balance proved by XANES spectroscopy. Display Omitted - Highlights: Direct hydrothermal synthesis allows crystallisation of a perovskite solid-solution. XANES spectroscopy shows some oxidation of Ce{sup 3+} to Ce{sup 4+}. The paramagnetism of Ce{sup 3+} shifts and broadens the {sup 23}Na solid-state NMR. The perovskite materials incorporate water as an A-site defect.

  15. Electrical properties of (1?x)(Bi{sub 0.5}Na{sub 0.5})TiO{sub 3}xKNbO{sub 3} lead-free ceramics

    SciTech Connect (OSTI)

    Jiang, Xijie; Wang, Baoyin; Luo, Laihui; Li, Weiping; Zhou, Jun; Chen, Hongbing

    2014-05-01

    In this investigation, a simple compound (1?x)(Bi{sub 0.5}Na{sub 0.5})TiO{sub 3}xKNbO{sub 3} (BNTxKN, x=00.08) lead-free ceramics were synthesized successfully by conventional solid state reaction method. The piezoelectric, dielectric and ferroelectric characteristics of the ceramics were investigated and discussed. The results shows that moderate KN addition can enhance the piezoelectric response without an obvious decline of ferroelectric properties. The largest piezoelectric response is obtained in BNT0.05KN, whereas largest electric-field-induced strain is obtained in BNT0.06KN. An effective d{sub 33}{sup eff} of ?400 pC/N calculated from electric-field-induced strain is obtained in BNT0.06KN. The present investigation demonstrates that addition KN effectively reduces the depolarization temperature of the BNTxKN ceramics. The electrical properties of the ceramics are tightly related to their depolarization temperature. - Graphical abstract: Unipolar electric-field-induced strain for the BNTxKN ceramics. A maximum strain of 0.28% is achieved with a low field in BNT0.06KN. - Highlights: Moderate KNbO{sub 3} addition enhances the piezoelectric properties of the ceramics. A maximum strain of 0.28% is achieved with a low field. A large piezoelectric response is achieved in 0.95(Bi{sub 0.5}Na{sub 0.5})TiO{sub 3}0.05KNbO{sub 3}. The electrical properties are tightly related to the depolarization temperature T{sub d}.

  16. Effect of composition on electrical properties of lead-free Bi{sub 0.5}(Na{sub 0.80}K{sub 0.20}){sub 0.5}TiO{sub 3}-(Ba{sub 0.98}Nd{sub 0.02})TiO{sub 3} piezoelectric ceramics

    SciTech Connect (OSTI)

    Jaita, Pharatree; Watcharapasorn, Anucha; Jiansirisomboon, Sukanda

    2013-07-14

    Lead-free piezoelectric ceramics with the composition of (1-x)Bi{sub 0.5}(Na{sub 0.80}K{sub 0.20}){sub 0.5}TiO{sub 3}-x(Ba{sub 0.98}Nd{sub 0.02})TiO{sub 3} or (1-x) BNKT-xBNdT (with x = 0-0.20 mol fraction) have been synthesized by a conventional mixed-oxide method. The compositional dependence of phase structure and electrical properties of the ceramics were systemically studied. The optimum sintering temperature of all BNKT-BNdT ceramics was found to be 1125 Degree-Sign C. X-ray diffraction pattern suggested that BNdT effectively diffused into BNKT lattice during sintering to form a solid solution with a perovskite structure. Scanning electron micrographs showed a slight reduction of grain size when BNdT was added. It was found that BNKT-0.10BNdT ceramic exhibited optimum electrical properties ({epsilon}{sub r} = 1716, tan{delta} = 0.0701, T{sub c} = 327 Degree-Sign C, and d{sub 33} = 211 pC/N), suggesting that this composition has a potential to be one of a promising lead-free piezoelectric candidate for dielectric and piezoelectric applications.

  17. 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.

  18. O Ti-tE LOVE

    Office of Legacy Management (LM)

    II . . * @ona of m ilitary anA m ilitary rcscrvc intnllationa; r1 .., were largely corsca.litrated.durilig,orld War II an? . . . . - KJ . : a to zk lesser exLenL, Lhe.Korean ...

  19. 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

  20. 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.

  1. A=17Na (1993TI07)

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

    excess is predicted to be 35.61 MeV by (1966KE16). It is then unbound with respect to breakup into 16Ne + p by 4.3 MeV and with respect to breakup into 14O + 3p by 5.7 MeV. See...

  2. Structural, ferroelectric and magnetic study of lead free (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}La{sub x}Ti{sub 0.988}Fe{sub 0.012}O{sub 3} (x=0,0.01,0.03,0.05) ceramic

    SciTech Connect (OSTI)

    Parmar, Kusum Sharma, Anshu; Sharma, Hakikat; Negi, N. S.

    2015-05-15

    Lead free (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}La{sub x}Ti{sub 0.988}Fe{sub 0.012}O{sub 3} ceramic having compositions (x=0, 0.01, 0.03, 0.05) has been prepared by sol gel method using citric acid. Structural analysis has been done by X-ray diffraction and FTIR measurements. XRD patterns have been confirmed perovskite structure for all samples. FTIR absorption band at around ?630?cm{sup ?1} is observed for all samples which confirm perovskite phase formation in samples. With increasing La concentration, shifting in XRD peaks and FTIR absorption bands is observed which suggests incorporation of La on A-site in prepared (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}La{sub x}Ti{sub 0.988}Fe{sub 0.012}O{sub 3} samples. Effect of La substitution on Ferroelectric (Polarization vs. Electric field) and Magnetic (Magnetization vs. Magnetic field) properties have been studied at room temperature. All samples exhibit weak ferromagnetic order and also possess ferroelectric behavior which provides new insight to lead free single phase multiferroic materials.

  3. 20Na

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

    Na β+-Decay Evaluated Data Measurements 1951SH38: 20Na; measured T1/2. 1953HO01: 20Na; measured T1/2. 1964MA44, 1969MAZT: 20Na; measured T1/2, α-spectrum; deduced β-branching. 20Ne deduced levels α-width. 1967SU05: 20Na; measured T1/2; deduced nuclear properties. 1970OA01: 20Na; measured T1/2, βα-coin, βα(θ). 1971GO18: 20Na; measured T1/2; deduced mass excess. 1971MA09: 20Na; measured β-delayed α-spectra; deduced βν anisotropy coefficients. 1971WI07: 20Na; measured T1/2; deduced ft

  4. 18Na

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

    Na Ground-State Decay Evaluated Data Measured Ground-State Γcm(T1/2) for 18Na Adopted value: < 200 keV (2012MU05) Measured Mass Excess for 18Na Adopted value: 25040 ± 110 keV (2012WA38) Measurements 2004ZE05: 9Be(20Mg, 18NaX), E = 43 MeV/nucleon; measured particle spectra, angular correlations, invariant mass following fragment proton decay. 18Na; deduced excited states proton decay features. 2011AS07: 1H(17Ne, 17Ne), 1H(17Ne, X)18Na, E = 4 MeV/nucleon; measured reaction products, proton

  5. 19Na

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

    Na Ground-State Decay Evaluated Data Measured Ground-State Γcm(T1/2) for 19Na Adopted value: < 40 ns (2003AU02) Measured Mass Excess for 19Na Adopted value: 12927 ± 12 keV (2003AU02) Measurements 1969CE01: 24Mg(p, 6He), E = 54.7 MeV; measured σ(E(6He)); deduced Q. 19Na deduced nuclear mass. 1975BE38: 24Mg(3He, 8Li), E = 76.8 MeV; measured σ(E(8Li)); deduced Q. 19Na deduced mass excess. 19Na deduced level. 1975BEZD: 24Mg(3He, 8Li), E = 76.3 MeV; measured σ(E(8Li)). 19Na deduced mass

  6. Self-biased large magnetoelectric coupling in co-sintered Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} based piezoelectric and CoFe{sub 2}O{sub 4} based magnetostrictive bilayered composite

    SciTech Connect (OSTI)

    Kumari, Mukesh; Singh, Amrita; Chatterjee, Ratnamala E-mail: ratnamalac@gmail.com; Gupta, Arti; Prakash, Chandra

    2014-12-28

    In this work, magnetoelectric properties of a co-sintered bilayered composite of non-lead based piezoelectric 0.97(Bi{sub 0.5}Na{sub 0.5}TiO{sub 3})–0.03(K{sub 0.47}Na{sub 0.47}Li{sub 0.06}Nb{sub 0.74}Sb{sub 0.06}Ta{sub 0.2}O{sub 3}) and magnetostrictive Co{sub 0.6}Zn{sub 0.4}Fe{sub 1.7}Mn{sub 0.3}O{sub 4} are presented. Similar optimal sintering conditions of the individual components lead to a very clean interface as evidenced in the scanning electron microscopy, angle dispersive X-ray diffraction, and energy-dispersive X-ray (EDX) results. Clean interface results in strong intimate mechanical coupling between both components and causes a maximum transfer of induced strain, leading to a large magnetoelectric coupling ∼142 mV/cm·Oe measured in longitudinally magnetized-transversely polarized configuration (L-T mode). Remnant polarization ∼32 μC/cm{sup 2}, remnant magnetization ∼0.50 emu/g, and sufficiently high self biased magnetoelectricity ∼135 mV/cm Oe (L-T mode) were observed for this composite.

  7. An analysis of lead-free (Bi{sub 0.5}Na{sub 0.5}){sub 0.915}-(Bi{sub 0.5}K{sub 0.5}){sub 0.05}Ba{sub 0.02}Sr{sub 0.015}TiO{sub 3} ceramic for efficient refrigeration and thermal energy harvesting

    SciTech Connect (OSTI)

    Vats, Gaurav; Vaish, Rahul; Bowen, Chris R.

    2014-01-07

    This article demonstrates the colossal energy harvesting capability of a lead-free (Bi{sub 0.5}Na{sub 0.5}){sub 0.915}-(Bi{sub 0.5}K{sub 0.5}){sub 0.05}Ba{sub 0.02}Sr{sub 0.015}TiO{sub 3} ceramic using the Olsen cycle. The maximum harvestable energy density estimated for this system is found to be 1523 J/L (1523 kJ/m{sup 3}) where the results are presented for extreme ambient conditions of 20–160 °C and electric fields of 0.1–4 MV/m. This estimated energy density is 1.7 times higher than the maximum reported to date for the lanthanum-doped lead zirconate titanate (thin film) system. Moreover, this study introduces a generalized and effective solid state refrigeration cycle in contrast to the ferroelectric Ericson refrigeration cycle. The cycle is based on a temperature induced polarization change on application of an unipolar electric field to ferroelectric ceramics.

  8. Effects of Point Defects and Impurities on Kinetics in NaAlH4 | Department

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

    of Energy Point Defects and Impurities on Kinetics in NaAlH4 Effects of Point Defects and Impurities on Kinetics in NaAlH4 A presentation showing that point defects play an important role in the kinetics of NaAlH4 including vacancies and interstitials consistent with observed effects of Ti. effects_of_point_defects.pdf (503.7 KB) More Documents & Publications Catalytic Effect of Ti for Hydrogen Cycling in NaAlH4 FTA - SunLine Transit Agency - Final Report Proceedings of the 1998 U.S. DOE

  9. A new Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} based lead-free piezoelectric system with calculated end-member Bi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3}

    SciTech Connect (OSTI)

    Liu, Feng; Wahyudi, Olivia; Li, Yongxiang

    2014-03-21

    The phase structure, dielectric and piezoelectric properties of a new lead-free piezoelectric system (1???x)Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}xBi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3} [(1???x)BNTxBZH, x?=?0, 0.01, 0.02, 0.03, and 0.04] were investigated. The structure of Bi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3} was calculated using first-principles method and (1???x)BNTxBZH ceramics were fabricated by conventional solid-state process. At room temperature, a morphotropic phase boundary (MPB) from rhombohedral to pseudocubic is identified near x?=?0.02 by the analysis of X-ray diffraction patterns. The ceramics with MPB near room temperature exhibit excellent electrical properties: the Curie temperature, maximum polarization, remnant polarization, and coercive field are 340?C, 56.3??C/cm{sup 2}, 43.5??C/cm{sup 2}, and 5.4?kV/mm, respectively, while the maximum positive bipolar strain and piezoelectric coefficient are 0.09% and 92 pC/N, respectively. In addition, a linear relationship between the MPB phase boundary composition and the calculated tetragonality of non-BNT end-member was demonstrated. Thus, this study not only shows a new BNT-based lead-free piezoelectric system but also suggest a new way to predict the composition at MPB a priori when designing new lead-free piezoelectric system.

  10. A=16Al (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  11. A=16Mg (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  12. A=16Si (1993TI07)

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

    93TI07) (Not observed) See (1986AN07

  13. A=19Be (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  14. A=19He (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  15. A=19Li (1995TI07)

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

    95TI07) (Not observed) See (1983ANZQ

  16. A=20Mg (1998TI06)

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

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

  17. A=10F (2004TI06)

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

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

  18. A=10Ne (2004TI06)

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

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

  19. A=10O (2004TI06)

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

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

  20. A=17Al (1993TI07)

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

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

  1. A=17He (1993TI07)

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

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

  2. A=17Li (1993TI07)

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

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

  3. A=17Mg (1993TI07)

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

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

  4. A=17P (1993TI07)

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

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

  5. A=17Si (1993TI07)

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

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

  6. A=18He (1995TI07)

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

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

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

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

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

  8. A=20Be (1998TI06)

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

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

  9. A=20n (1998TI06)

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

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

  10. A=20He (1998TI06)

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

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

  11. A=20Li (1998TI06)

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

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

  12. A=5n (2002TI10)

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

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

  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. Alternate Strategies for Pre-Application Reporting and Fast Track Analysis

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

    Distributed Generation Interconnection Collaborative (DGIC) "!lternate Strategies for Pre-Application Reporting and Fast Track !nalysis" Steve Steffel and Alex Dinkel, PEPCO Holdings Inc. February 20, 2013; 11:30-1:00 MST/1:30-3:00 EST NREL i s a na ti ona l l aboratory of the U.S. Depa rtment of Energy, Offi c e of Energy Effi ci ency a nd Renewa bl e Energy, opera ted by the Al l i a nce for Sus ta i nable Energy, LLC. Speakers Steve Steffel Manager - DER and Analytics in Asset

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

    Office of Scientific and Technical Information (OSTI)

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

  16. Na onal Security Site?

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

    Mul ple Choice (circle the correct answer) 1. How many diff erent animal species can be found at the Nevada Na onal Security Site? a. Less than 500 b. Exactly 1,325 c. More than 1,500 d. Exactly 2,303 2. Nuclear research, development and tes ng caused radioac ve contamina on of: a. Buildings b. Clothes and tools c. Soil and water d. All of the above 3. One method used to check soil for the presence of radioac ve contamina on is: a. Use a black light to see if the soil glows b. Send soil samples

  17. A=16Li (1993TI07)

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

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

  18. A=16He (1993TI07)

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

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

  19. A=19Mg (1995TI07)

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

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

  20. Electrolyte Concentration Effect of a Photoelectrochemical Cell Consisting of TiO 2 Nanotube Anode

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

    Ren, Kai; Gan, Yong X.; Nikolaidis, Efstratios; Sofyani, Sharaf Al; Zhang, Lihua

    2013-01-01

    The photoelectrochemical responses of a TiO 2 nanotube anode in ethylene glycol (EG), glycerol, ammonia, ethanol, urea, and Na 2 S electrolytes with different concentrations were investigated. The TiO 2 nanotube anode was highly efficient in photoelectrocatalysis in these solutions under UV light illumination. The photocurrent density is obviously affected by the concentration change. Na 2 S generated the highest photocurrent density at 0, 1, and 2 V bias voltages, but its concentration does not significantly affect the photocurrent density. Urea shows high open circuit voltage at proper concentration and low photocurrent at different concentrations. Externally applied bias voltage ismore » also an important factor that changes the photoelectrochemical reaction process. In view of the open circuit voltage, EG, ammonia, and ethanol fuel cells show the trend that the open circuit voltage (OCV) increases with the increase of the concentration of the solutions. Glycerol has the highest OCV compared with others, and it deceases with the increase in the concentration because of the high viscosity. The OCV of the urea and Na 2 S solutions did not show obvious concentration effect.« less

  1. 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.

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

    DOE Patents [OSTI]

    White, Jack C.; Oden, Laurance L.

    1993-01-01

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

  3. TiO2 Nanotubes/MWCNTs Nanocomposite Photocatalysts: Synthesis, Characterization and Photocatalytic Hydrogen Evolution Under UV-Vis Light Illumination

    SciTech Connect (OSTI)

    Li, Hao-Peng; Zhang, Xiao-Yan; Cui, Xiao-Li; Lin, Yuehe

    2012-03-01

    Nanocomposite of TiO2 nanotubes (TiO2NTs) and multiwalled carbon nanotubes (MWCNTs) has been synthesized by a hydrothermal method and firstly used in photocatalytic hydrogen production. The obtained TiO2 NTs/MWCNTs composites were characterized by X-ray diffraction, transmission electron microscopy, Raman spectrum and ultraviolet-visible diffuse reflectance spectroscopy. The experimental results revealed that the MWCNTs were decorated with well dispersed anatase TiO2 nanotubes with a diameter of 8-15 nm. A slight blue shift and weak symmetry was observed for the strongest Raman peak which resulted from strain gradients originating from interface integration between TiO2 nanotubes and MWCNTs. The photocatalytic activity of the as-prepared samples was evaluated by hydrogen evolution from water splitting using Na2S and Na2SO3 as sacrificial reagents under UV-vis light irradiation. Enhanced photocatalytic activity compared with P25 has been observed for the resulted samples. The nanocomposite with optimized MWCNTs content of 1% displayed a hydrogen production rate of 161 u mol/h/g. Good photocatalytic stability of the as-synthesized samples was observed as well.

  4. Ti Leggett | Argonne Leadership Computing Facility

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

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

  5. 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...

  6. 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,...

  7. 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...

  8. 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...

  9. A=18Li (1995TI07)

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

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

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

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

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

  11. A=6B (2002TI10)

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

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

  12. A=6C (2002TI10)

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

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

  13. A=20B (1998TI06)

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

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

  14. Instability of Hydrogenated TiO2

    SciTech Connect (OSTI)

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

    2015-11-06

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

  15. Materials Data on NaPrTiNbO6F (SG:91) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on NaNdTiNbO6F (SG:91) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on EuNaTiNbO6F (SG:95) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on NaCeTiNbO6F (SG:91) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on NaGdTiNbO6F (SG:95) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on NaCaTaTiO6 (SG:7) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

    SciTech Connect (OSTI)

    You, Ya; Yu, Xi -Qian; Yin, Ya -Xia; Nam, Kyung -Wan; Guo, Yu -Guo

    2014-10-27

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmosphere during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. As a result, the Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.

  2. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

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

    You, Ya; Yu, Xi -Qian; Yin, Ya -Xia; Nam, Kyung -Wan; Guo, Yu -Guo

    2014-10-27

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmospheremore » during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. As a result, the Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.« less

  3. Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries

    SciTech Connect (OSTI)

    Guo, Ya; Yu, Xiqian; You, Ya; Yin, Yaxia; Nam, Kyung -Wan

    2015-01-01

    Owing to the worldwide abundance and low-cost of Na, room-temperature Na-ion batteries are emerging as attractive energy storage systems for large-scale grids. Increasing the Na content in cathode material is one of the effective ways to achieve high energy density. Prussian blue and its analogues (PBAs) are promising Na-rich cathode materials since they can theoretically store two Na ions per formula. However, increasing the Na content in PBAs cathode materials is a big challenge in the current. Here we show that sodium iron hexacyanoferrate with high Na content could be obtained by simply controlling the reducing agent and reaction atmosphere during synthesis. The Na content can reach as high as 1.63 per formula, which is the highest value for sodium iron hexacyanoferrate. This Na-rich sodium iron hexacyanoferrate demonstrates a high specific capacity of 150 mA h g-1 and remarkable cycling performance with 90% capacity retention after 200 cycles. Furthermore, the Na intercalation/de-intercalation mechanism is systematically studied by in situ Raman, X-ray diffraction and X-ray absorption spectroscopy analysis for the first time. The Na-rich sodium iron hexacyanoferrate could function as a plenteous Na reservoir and has great potential as a cathode material toward practical Na-ion batteries.

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

    SciTech Connect (OSTI)

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

    1992-12-31

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

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

    Office of Scientific and Technical Information (OSTI)

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

  6. 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

  7. NaWoTec | Open Energy Information

    Open Energy Info (EERE)

    NaWoTec Jump to: navigation, search Name: NaWoTec Place: Rossdorf, Germany Zip: 64380 Product: Germany-based company developing 3-dimensional additive lithography using...

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

    SciTech Connect (OSTI)

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

    2014-10-13

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

  9. A=14Na (1986AJ01)

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

    86AJ01) (Not illustrated) 14Ne, 14Na and 14Mg have not been observed. See (1983ANZQ

  10. A=14Na (1991AJ01)

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

    91AJ01) (Not illustrated) 14Ne, 14Na and 14Mg have not been observed. See (1986AN07

  11. A=18C (1995TI07)

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

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

  12. A=5Be (2002TI10)

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

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

  13. Threshold electron excitation of Na

    SciTech Connect (OSTI)

    Marinkovic, B.; Wang, P.; Gallagher, A. )

    1992-09-01

    Electron collisional excitation of the 4{ital D}, 5{ital D}, 4{ital P}, and 6{ital S} states of Na has been measured with about 30-meV energy resolution. Very rapid, unresolved threshold onsets are seen for all but the 4{ital P} state, and a near-threshold resonance is suggested by the 5{ital D} data. However, only weak undulations in the cross sections are observed above threshold.

  14. 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.

  15. 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

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

    SciTech Connect (OSTI)

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

    2006-12-04

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

  17. A=3n (1987TI07)

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

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

  18. A=19Na (1972AJ02)

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

    2AJ02) (See the Isobar Diagram for 19Na) A study of the reaction 24Mg(p, 6He)19Na at Ep = 54.7 MeV reveals a group of 6He particles corresponding to a state in 19Na with M - A = 12.974 ± 0.070 MeV. It is presumed to be the ground state of 19Na, although the close proximity of the second T = 3/2 state in 19O from the first (96 keV), does not permit a definite assignment. If it is assumed that 19Na(0) has M - A = 12.974 ± 0.070 MeV, then 19Na is unbound with respect to decay into 18Ne + p by

  19. A=20Na (1972AJ02)

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

    2AJ02) (See Energy Level Diagrams for 20Na) GENERAL: See Table 20.35 [Table of Energy Levels] (in PDF or PS). Mass of 20Na: From the threshold energy of the 20Ne(p, n)20Na reaction, Ethresh. = 15.419 ± 0.006 MeV, the atomic mass excess of 20Na is 6.850 ± 0.006 MeV (1971GO18, 1971WI07). See also (1964GA1C, 1966GA25, 1966KE16, 1969HA38). 1. 20Na(β+)20Ne Qm = 13.892 20Na decays by positron emission to 20Ne*(1.63) and to a number of excited states which decay by α-emission to the ground state of

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

    SciTech Connect (OSTI)

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

    2004-05-11

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

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

    National Nuclear Security Administration (NNSA)

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

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

    SciTech Connect (OSTI)

    Byrd, Larry; Wyen, Travis; Byrd, Alex

    2008-02-15

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

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

    SciTech Connect (OSTI)

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

    2010-12-20

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

  4. 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.

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

  7. New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers...

    Open Energy Info (EERE)

    Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier Detection And Rejection Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  8. Nevada Na onal Security Site U.S. Department of Energy, Na ...

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

    Wells Sampled On and Near the Nevada Na onal Security Site U.S. Department of Energy, Na onal Nuclear Security Administra on Nevada Field Office Stages of an Underground Nuclear ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    SciTech Connect (OSTI)

    Wills, Ann Elisabet; Sanchez, Jason James

    2015-02-01

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

  12. A=18Na (1972AJ02)

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

    2AJ02) (Not illustrated) A calculation using an isobaric mass formula predicts that the mass excess of 18Na is 25.4 ± 0.4 MeV (1966KE16): 18Na is then unbound with respect to proton emission by 1.6 MeV. See also (1965JA1C

  13. A=19Na (1978AJ03)

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

    8AJ03) (See the Isobar Diagram for 19Na) This nucleus has been observed in the 24Mg(p, 6He)19Na reaction (1969CE01; Ep = 54.7 MeV) and in the 24Mg(3He, 8Li)19Na reaction (1975BE38; E(3He) = 76.3 MeV). The latter experiment leads to an atomic mass excess of 12.928 ± 0.012 MeV for 19Na in its ground state. In addition, an excited state is observed at Ex = 120 ± 10 keV (1975BE38). Assuming the atomic mass excess listed above, 19Na(0) is unstable with respect to breakup into 18Ne + p by 320 ± 13

  14. A=10B (2004TI06)

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

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

  15. A=19B (1995TI07)

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

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

  16. A=20C (1998TI06)

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

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

  17. A=20N (1998TI06)

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

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

  18. A=3He (1987TI07)

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

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

  19. A=3Li (1987TI07)

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

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

  20. A=4HE (1992TI02)

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

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

  1. A=4Li (1992TI02)

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

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

  2. A=5H (2002TI10)

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

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

  3. A=5He (2002TI10)

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

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

  4. A=5Li (2002TI10)

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

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

  5. A=6Be (2002TI10)

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

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

  6. A=6He (2002TI10)

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

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

  7. A=6Li (2002TI10)

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

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

  8. A=6n (2002TI10)

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

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

  9. A=7Be (2002TI10)

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

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

  10. A=7He (2002TI10)

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

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

  11. A=8B (2004TI06)

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

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

  12. A=8He (2004TI06)

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

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

  13. A=9B (2004TI06)

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

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

  14. A=9Be (2004TI06)

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

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

  15. 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

  16. A=9He (2004TI06)

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

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

  17. A=9Li (2004TI06)

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

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

  18. A=9N (2004TI06)

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

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

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

    SciTech Connect (OSTI)

    Asteti, S. Fuji; Syarif, D. Gustaman

    2008-03-17

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

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

    SciTech Connect (OSTI)

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

    2011-12-05

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

  1. A=19Na (1983AJ01)

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    3AJ01) (See the Isobar Diagram for 19Na) A study of this nucleus via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.928 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 320 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38). See also (1978AJ03, 1978GU10, 1979BE1H

  2. A=19Na (1987AJ02)

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

    7AJ02) (See the Isobar Diagram for 19Na) A study of this nucleus via the 24Mg(3He, 8Li)19Na reaction at E(3He) = 76.3 MeV leads to an atomic mass excess of 12.929 ± 0.012 MeV for 19Na; it is then unstable with respect to breakup into 18Ne + p by 321 ± 13 keV. An excited state at Ex = 120 ± 10 keV is also reported (1975BE38, 1985WA02). See also (1985AN28, 1986AN07) and (1983ANZQ, 1983AU1B; theor.

  3. NNSA reorganizes Office of Emergency Operations (NA-40), Office...

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    ... Frank Klotz and Madelyn Creedon "Mission First, People Always" Related Topics NA-40 NA-80 OEO Office of Counterterrorism and Counterproliferation. OCC Office of Emergency ...

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

    SciTech Connect (OSTI)

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

    2013-01-15

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

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

    SciTech Connect (OSTI)

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

    1996-07-15

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

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

    SciTech Connect (OSTI)

    Helm, D.

    1999-07-01

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

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  18. FEiNA SCP | Open Energy Information

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    Place: Sant Marta de Torruella, Spain Product: Manufacturer of tracking systems for PV plants, and looking for STEG partners. References: FEiNA SCP1 This article is a stub. You...

  19. A=20Na (1978AJ03)

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

    8AJ03) (See Energy Level Diagrams for 20Na) GENERAL: See also (1972AJ02) and Table 20.39 [Table of Energy Levels] (in PDF or PS). (1973HA77, 1973SU1B, 1974HA17, 1976CH1T, 1977SH13). J = 2 (1975SC20); μ = 0.3694 ± 0.0002 nm (1975SC20). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.37 (in PDF or PS). The half-life of 20Na is 442 ± 5 msec (1971GO18, 1971WI07), 446 ± 8 msec (1972MO08), 448 ± 4 msec

  20. A=20Na (1983AJ01)

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

    3AJ01) (See Energy Level Diagrams for 20Na) GENERAL: See also (1978AJ03) and Table 20.36 [Table of Energy Levels] (in PDF or PS). (1977SI1D, 1978WO1E, 1979BE1H, 1980OK01, 1981AY01). J = 2 (1975SC20); μ = 0.3694 ± 0.0002 nm (1975SC20). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.33 (in PDF or PS) and reaction 63 in 20Ne. The half-life of 20Na is 446 ± 3 msec; Jπ = 2+: see (1978AJ03). 2. 16O(12C,

  1. A=20Na (1987AJ02)

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    87AJ02) (See Energy Level Diagrams for 20Na) GENERAL: See (1983AJ01) and Table 20.27 [Table of Energy Levels] (in PDF or PS). (1981WA1Q, 1983ANZQ, 1983BR29, 1985AN28, 1985HA1N, 1985RO1N, 1986AN07, 1986GA1I). 1. 20Na(β+)20Ne Qm = 13.887 20Na decays by positron emission to 20Ne*(1.63) and to a number of other excited states of 20Ne: see Table 20.26 (in PDF or PS) and reaction 53 in 20Ne. The half-life of 20Na is 447.9 ± 2.3 msec [weighted mean of values quoted in (1978AJ03) and in (1983CL01)];

  2. Nondestructive evaluation of Ni-Ti shape memory alloy

    SciTech Connect (OSTI)

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

    2011-06-23

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

  3. A=16B (1993TI07)

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

  4. A=16C (1993TI07)

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

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

  5. A=16Ne (1993TI07)

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

  6. A=17C (1993TI07)

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

  7. A=17Ne (1993TI07)

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

  8. A=18B (1995TI07)

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

  9. A=18F (1995TI07)

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

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

  10. A=18N (1995TI07)

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

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

  11. A=18Ne (1995TI07)

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

  12. A=19C (1995TI07)

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

  13. A=19N (1995TI07)

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

  14. 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

  15. A=19O (1995TI07)

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

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

  16. A=20F (1998TI06)

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

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

  17. A=20O (1998TI06)

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

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

  18. A=3H (1987TI07)

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

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

  19. A=4n (1992TI02)

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

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

  20. A=7B (2002TI10)

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

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

  1. A=7H (2002TI10)

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

  2. A=8Be (2004TI06)

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

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

  3. A=8C (2004TI06)

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

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

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

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-12-31

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

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

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-01-01

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

  6. Photoinduced electron transfer in perylene-TiO2 nanoassemblies

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

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

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

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2000-01-01

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

  8. NA 15 - Assistant Deputy Administrator for Secure Transportation | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration | (NNSA) NA 15 - Assistant Deputy Administrator for Secure Transportation

  9. Martensite transformation of epitaxial Ni-Ti films

    SciTech Connect (OSTI)

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

    2011-05-09

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

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

    SciTech Connect (OSTI)

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

    2006-04-15

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

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

    SciTech Connect (OSTI)

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

    2010-11-03

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

  12. Materials Data on Ba3Na2Ti3Nb2O15 (SG:65) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on NaLiLa2Ti4O12 (SG:123) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Na3Sr7Ta3Ti7O30 (SG:6) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Na2TiCr(PO4)3 (SG:198) by Materials Project

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

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. A=6H (2002TI10)

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

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

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

    SciTech Connect (OSTI)

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

    2014-04-24

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

  18. Charging Properties of Cassiterite (alpha-SnO2) surfaces in NaCl and RbCl Ionic Media.

    SciTech Connect (OSTI)

    Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas; Wesolowski, David J

    2009-09-01

    The acid-base properties of cassiterite (alpha-SnO2) surfaces at 10-50 degrees C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated that the terminal SnOH2 group is more acidic than the bridging Sn2OH group, with protonation constants (log KH) of 3.60 and 5.13 at 25 degrees C, respectively. This is contrary to the situation on the isostructural alpha-TiO2 (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na+ and Rb+, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na+ between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb+ is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na+/Rb+ was formulated. According to the SCM, the deprotonated terminal group (SnOH(-0.40)) and the protonated bridging group (Sn2OH+0.36) dominate the surface speciation over the entire pH range of this study (2.7-10). The complexation of medium cations increases significantly with increasing

  19. Charging Properties of Cassiterite (alpha-SnO2) Surfaces in NaCl and RbCl Ionic Media.

    SciTech Connect (OSTI)

    Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas; Wesolowski, David J

    2009-09-01

    The acid-base properties of cassiterite ({alpha}-SnO{sub 2}) surfaces at 10-50 C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated that the terminal SnOH{sub 2} group is more acidic than the bridging Sn{sub 2}OH group, with protonation constants (log K{sub H}) of 3.60 and 5.13 at 25 C, respectively. This is contrary to the situation on the isostructural {alpha}-TiO{sub 2} (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na{sup +} and Rb{sup +}, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na{sup +} between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb{sup +} is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na{sup +}/Rb{sup +} was formulated. According to the SCM, the deprotonated terminal group (SnOH{sup -0.40}) and the protonated bridging group (Sn{sub 2}OH{sup +0.36}) dominate the surface speciation over the entire pH range of this study (2.7-10). The

  20. A=18Na (1978AJ03)

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

    8AJ03) (Not illustrated) 18Na has not been observed: its atomic mass excess has been estimated to be 25.32 MeV: it is then unbound with respect to proton emission by 1.55 MeV (1977WA08). See also (1976JA23, 1976WA1E

  1. A=18Na (1983AJ01)

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

    3AJ01) (Not illustrated) 18Na has not been observed: its atomic mass excess has been estimated to be 25.32 MeV: it is then unbound with respect to proton emission by 1.55 MeV (1977WA08). See also (1978GU10

  2. A=18Na (1987AJ02)

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

    7AJ02) (Not observed) 18Na has not been observed; its atomic mass excess has been estimated to be 25.32 MeV; it is then unbound with respect to proton emission by 1.6 MeV: see (1978AJ03). See also (1986AN07) and (1983ANZQ

  3. OR I GI NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

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

    NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

  4. Mechanically induced self-propagating reaction and consequent consolidation for the production of fully dense nanocrystalline Ti{sub 55}C{sub 45} bulk material

    SciTech Connect (OSTI)

    Sherif El-Eskandarany, M. Al-Hazza, Abdulsalam

    2014-11-15

    We employed a high-energy ball mill for the synthesis of nanograined Ti{sub 55}C{sub 45} powders starting from elemental Ti and C powders. The mechanically induced self-propagating reaction that occurred between the reactant materials was monitored via a gas atmosphere gas-temperature-monitoring system. A single phase of NaCl-type TiC was obtained after 5 h of ball milling. To decrease the powder and grain sizes, the material was subjected to further ball milling time. The powders obtained after 200 h of milling possessed spherical-like morphology with average particle and grain sizes of 45 μm and 4.2 nm, respectively. The end-products obtained after 200 h of ball milling time, were then consolidated into full dense compacts, using hot pressing and spark plasma sintering at 1500 and 34.5 MPa, with heating rates of 20 °C/min and 500 °C/min, respectively. Whereas hot pressing of the powders led to severe grain growth (∼ 436 nm in diameter), the as-spark plasma sintered powders maintained their nanograined characteristics (∼ 28 nm in diameter). The as-synthesized and as-consolidated powders were characterized, using X-ray diffraction, high-resolution electron microscopy, and scanning electron microscopy. The mechanical properties of the consolidated samples obtained via the hot pressing and spark plasma sintering techniques were characterized, using Vickers microhardness and non-destructive testing techniques. The Vickers hardness, Young's modulus, shear modulus and fracture toughness of as-spark plasma sintered samples were 32 GPa, 358 GPa, 151 GPa and 6.4 MPa·m{sup 1/2}, respectively. The effects of the consolidation approach on the grain size and mechanical properties were investigated and are discussed. - Highlights: • Room-temperature synthesizing of NaCl-type TiC • Dependence on the grain size on the ball milling time • Fabrication of equiaxed nanocrystalline grains with a diameter of 4.2 nm • Fabrication of nanocrystalline bulk TiC material by

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

    SciTech Connect (OSTI)

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

    2015-02-15

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

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

    SciTech Connect (OSTI)

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

    2015-04-15

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  16. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  19. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

  1. 2011 Annual Planning Summary for Defense Nuclear Nonproliferation (NA-20)

    Broader source: Energy.gov [DOE]

    The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within Defense Nuclear Nonproliferation (NA-20).

  2. Coating power RF components with TiN

    SciTech Connect (OSTI)

    Kuchnir, M.; Hahn, E.

    1995-03-01

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

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

    SciTech Connect (OSTI)

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

    2012-11-15

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

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

    DOE Patents [OSTI]

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

    1993-04-06

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

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

    DOE Patents [OSTI]

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

    1993-04-06

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

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

    SciTech Connect (OSTI)

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

    2014-02-10

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

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

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

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

    2016-04-01

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

  8. Zn2+ and Sr2+ Adsorption at the TiO2 (110)-Electrolyte Interface: Influence of Ionic Strength, Coverage, and Anions

    SciTech Connect (OSTI)

    Zhang,Z.; Fenter, P.; Cheng, L.; Sturchio, N.; Bedzyk, M.; Machesky, M.; Anovitz, L.; Wesolowski, D.

    2006-01-01

    The X-ray standing wave technique was used to probe the sensitivity of Zn{sup 2+} and Sr{sup 2+} ion adsorption to changes in both the adsorbed ion coverage and the background electrolyte species and concentrations at the rutile ({alpha}-TiO{sub 2}) (110)-aqueous interface. Measurements were made with various background electrolytes (NaCl, NaTr, RbCl, NaBr) at concentrations as high as 1 m. The results demonstrate that Zn{sub 2+} and Sr{sub 2+} reside primarily in the condensed layer and that the ion heights above the Ti-O surface plane are insensitive to ionic strength and the choice of background electrolyte (with <0.1 Angstroms changes over the full compositional range). The lack of any specific anion coadsorption upon probing with Br{sup -}, coupled with the insensitivity of Zn{sup 2+} and Sr{sup 2+} cation heights to changes in the background electrolyte, implies that anions do not play a significant role in the adsorption of these divalent metal ions to the rutile (110) surface. Absolute ion coverage measurements for Zn{sup 2+} and Sr{sup 2+} show a maximum Stern-layer coverage of {approx}0.5 monolayer, with no significant variation in height as a function of Stern-layer coverage. These observations are discussed in the context of Gouy-Chapman-Stern models of the electrical double layer developed from macroscopic sorption and pH-titration studies of rutile powder suspensions. Direct comparison between these experimental observations and the MUltiSIte Complexation (MUSIC) model predictions of cation surface coverage as a function of ionic strength revealed good agreement between measured and predicted surface coverages with no adjustable parameters.

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

    SciTech Connect (OSTI)

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

    2015-10-15

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

  10. 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 ...

  11. 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.

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

    SciTech Connect (OSTI)

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

    2013-01-15

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

  13. Document: NA (FOIA) Actionee: Dorothy Riehie

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

    vT op Document: NA (FOIA) Actionee: Dorothy Riehie ~ * Document Date: 09/07/2011 Due Date: NO ACTION Ii~rilAuthor: CARPENTER T Addressee: RIEHLE DC Title: FOIA Request DIR DIV NAME DIR DIV NAME MGR AMMS DEP AMMS ISI AMA AMMS PIC AMA FMD AMMS SES AMA HRM AMMS SSD AMA PRO AMRC AMCP AMSE AMSE EMD AMSE GOD AMSE SED 0CC OCE Riehle, Dorothy (Actionee) ORP PNSO RLCI Comments: Records Schedule information: ADM-1.28.1 Scan?: Yes Sensitive?: Yes Sensitive Attachments?: Yes - IDMS Folder: RL General Corr

  14. 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.

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

    SciTech Connect (OSTI)

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

    2011-03-15

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

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

    SciTech Connect (OSTI)

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

    2007-05-15

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

  17. 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.

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

    SciTech Connect (OSTI)

    Gusev, A. I.

    2013-08-15

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

  19. 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.

  20. NNSA reorganizes Office of Emergency Operations (NA-40), Office of

    National Nuclear Security Administration (NNSA)

    Counterterrorism and Counterproliferation (NA-80) | National Nuclear Security Administration | (NNSA) reorganizes Office of Emergency Operations (NA-40), Office of Counterterrorism and Counterproliferation (NA-80) Wednesday, December 9, 2015 - 11:00am Colleagues: The Department of Energy has adopted an enterprise-wide approach to strengthening its preparedness for and its capability to respond to a broad spectrum of potential emergencies, including those resulting from natural phenomena

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

    SciTech Connect (OSTI)

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

    2012-06-18

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

  2. Office of Nuclear Material Integration (ONMI), NA-73

    National Nuclear Security Administration (NNSA)

    Office of Nuclear Material Integration (ONMI), NA-73 Over 420 Government & Commercial ... Required U.S. Reporting to the International Atomic Energy Agency (IAEA) under ...

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

    SciTech Connect (OSTI)

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

    1998-09-01

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

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

    SciTech Connect (OSTI)

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

    2015-03-01

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

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

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

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

    2015-03-01

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

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

    SciTech Connect (OSTI)

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

    1994-06-01

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

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

    SciTech Connect (OSTI)

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

    2013-11-14

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

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

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

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

    2015-12-17

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

  9. 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.

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

    SciTech Connect (OSTI)

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

    2010-01-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    SciTech Connect (OSTI)

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

    2003-08-01

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

  13. 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 ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    SciTech Connect (OSTI)

    2009-04-01

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

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

    SciTech Connect (OSTI)

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

    2015-05-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  19. 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.

  20. 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.

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

    SciTech Connect (OSTI)

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

    2011-07-15

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

  2. Pressure induced phase transformations in NaZr{sub 2}(PO{sub 4}){sub 3} studied by X-ray diffraction and Raman spectroscopy

    SciTech Connect (OSTI)

    Kamali, K.; Ravindran, T.R.; Chandra Shekar, N.V.; Pandey, K.K.; Sharma, S.M.

    2015-01-15

    Raman spectroscopic and x-ray diffraction measurements on NaZr{sub 2}(PO{sub 4}){sub 3} were carried out up to 30 GPa at close intervals of pressure, revealing two structural phase transformations around 5 and 6.6 GPa. The second phase at 5.4 GPa is indexed to R3 space group similar to that of RbTi{sub 2}(PO{sub 4}){sub 3}. Bulk modulus decreases abruptly from 53 GPa (B′=4) to 36 GPa (B′=4) in the second phase above 5 GPa. The structure of the phase III at 8.2 GPa is indexed as orthorhombic similar to the case of high temperature phase of monoclinic LiZr{sub 2}(PO{sub 4}){sub 3}. Bulk modulus of this phase III is found to be 65 GPa (B′=4), which is higher than that of the ambient phase. In high pressure Raman studies, modes corresponding to 72 and 112 cm{sup −1} soften in the ambient phase whereas around 5 GPa, the ones at 60, 105, 125 and 190 cm{sup −1} soften with pressure contributing negatively to overall thermal expansion. - Graphical abstract: High pressure study of NaZr{sub 2}(PO{sub 4}){sub 3} shows a reversible phase transition from R-3c to R3 structure at 5 GPa accompanied by an increase in compressibility signaling a polyhedral tilt transition. - Highlights: • NaZr{sub 2}(PO{sub 4}){sub 3} undergoes two reversible phase transitions at 5 and 6.7 GPa. • The transition at 5 is from rhombohedral R-3c to R3 structure. • Bulk modulus of NaZr{sub 2}(PO{sub 4}){sub 3} is lower than that for the isostructural RbTi{sub 2}(PO{sub 4}){sub 3.} • Compressibility increases with substitution of a smaller cation (Na). • Zr-translational and PO{sub 4} librational modes contribute to phase transition.

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

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

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

    2016-02-21

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

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

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

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

    2016-05-16

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

  5. 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.

  6. Design and fabrication of a bending rotation fatigue test rig for in situ electrochemical analysis during fatigue testing of NiTi shape memory alloy wires

    SciTech Connect (OSTI)

    Neelakantan, Lakshman; Zglinski, Jenni Kristin; Eggeler, Gunther; Frotscher, Matthias

    2013-03-15

    The current investigation proposes a novel method for simultaneous assessment of the electrochemical and structural fatigue properties of nickel-titanium shape memory alloy (NiTi SMA) wires. The design and layout of an in situ electrochemical cell in a custom-made bending rotation fatigue (BRF) test rig is presented. This newly designed test rig allows performing a wide spectrum of experiments for studying the influence of fatigue on corrosion and vice versa. This can be achieved by performing ex situ and/or in situ measurements. The versatility of the combined electrochemical/mechanical test rig is demonstrated by studying the electrochemical behavior of NiTi SMA wires in 0.9% NaCl electrolyte under load. The ex situ measurements allow addressing various issues, for example, the influence of pre-fatigue on the localized corrosion resistance, or the influence of hydrogen on fatigue life. Ex situ experiments showed that a pre-fatigued wire is more susceptible to localized corrosion. The synergetic effect can be concluded from the polarization studies and specifically from an in situ study of the open circuit potential (OCP) transients, which sensitively react to the elementary repassivation events related to the local failure of the oxide layer. It can also be used as an indicator for identifying the onset of the fatigue failure.

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

    SciTech Connect (OSTI)

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

    2015-03-15

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

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

    SciTech Connect (OSTI)

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

    2014-07-01

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

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

    SciTech Connect (OSTI)

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

    2013-05-01

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

  11. The mobility of Nb in rutile-saturated NaCl- and NaF-bearing aqueous fluids from 1–6.5 GPa and 300–800 °C

    SciTech Connect (OSTI)

    Tanis, Elizabeth A.; Simon, Adam; Tschauner, Oliver; Chow, Paul; Xiao, Yuming; Burnley, Pamela; Cline II, Christopher J.; Hanchar, John M.; Pettke, Thomas; Shen, Guoyin; Zhao, Yusheng

    2015-08-26

    Rutile (TiO₂) is an important host phase for high field strength elements (HFSE) such as Nb in metamorphic and subduction zone environments. The observed depletion of Nb in arc rocks is often explained by the hypothesis that rutile sequesters HFSE in the subducted slab and overlying sediment, and is chemically inert with respect to aqueous fluids evolved during prograde metamorphism in the forearc to subarc environment. However, field observations of exhumed terranes, and experimental studies, indicate that HFSE may be soluble in complex aqueous fluids at high pressure (i.e., >0.5 GPa) and moderate to high temperature (i.e., >300 °C). In this study, we investigated experimentally the mobility of Nb in NaCl- and NaF-bearing aqueous fluids in equilibrium with Nb-bearing rutile at pressure-temperature conditions applicable to fluid evolution in arc environments. Niobium concentrations in aqueous fluid at rutile saturation were measured directly by using a hydrothermal diamond-anvil cell (HDAC) and synchrotron X-ray fluorescence (SXRF) at 2.1 to 6.5 GPa and 300–500 °C, and indirectly by performing mass loss experiments in a piston-cylinder (PC) apparatus at ~1 GPa and 700–800 °C. The concentration of Nb in a 10 wt% NaCl aqueous fluid increases from 6 to 11 μg/g as temperature increases from 300 to 500 °C, over a pressure range from 2.1 to 2.8 GPa, consistent with a positive temperature dependence. The concentration of Nb in a 20 wt% NaCl aqueous fluid varies from 55 to 150 μg/g at 300 to 500 °C, over a pressure range from 1.8 to 6.4 GPa; however, there is no discernible temperature or pressure dependence. The Nb concentration in a 4 wt% NaF-bearing aqueous fluid increases from 180 to 910 μg/g as temperature increases from 300 to 500 °C over the pressure range 2.1 to 6.5 GPa. The data for the F-bearing fluid indicate that the Nb content of the fluid exhibits a dependence on temperature between 300 and 500 °C at ≥2 GPa, but there is no observed

  12. 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.

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

    SciTech Connect (OSTI)

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

    2013-02-05

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

  14. 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 ...

  15. High temperature tensile properties of V-4Cr-4Ti

    SciTech Connect (OSTI)

    Zinkle, S.J.; Rowcliffe, A.F.; Stevens, C.O.

    1998-09-01

    Tensile tests have been performed on V-4Cr-4Ti at 750 and 800 C in order to extend the data base beyond the current limit of 700 C. From comparison with previous measurements, the yield strength is nearly constant and tensile elongations decrease slightly with increasing temperature between 300 and 800 C. The ultimate strength exhibits an apparent maximum near 600 C (attributable to dynamic strain aging) but adequate strength is maintained up to 800 C. The reduction in area measured on tensile specimens remained high ({approximately}80%) for test temperatures up to 800 C, in contrast to previous reported results.

  16. Injection mode-locking Ti-sapphire laser system

    DOE Patents [OSTI]

    Hovater, James Curtis; Poelker, Bernard Matthew

    2002-01-01

    According to the present invention there is provided an injection modelocking Ti-sapphire laser system that produces a unidirectional laser oscillation through the application of a ring cavity laser that incorporates no intracavity devices to achieve unidirectional oscillation. An argon-ion or doubled Nd:YVO.sub.4 laser preferably serves as the pump laser and a gain-switched diode laser serves as the seed laser. A method for operating such a laser system to produce a unidirectional oscillating is also described.

  17. HNF-SD-WM-TI-740, Rev. OA

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

    84045. HNF-SD-WM-TI-740, Rev. OA Standard Inventories of Chemicals and Radionuclides in Hanford Site Ta nk Wastes M. J. Kupfer, A. L. Boldt, B. A. Higley, K. M. Hodgson, L. W. Shelton, B. C. Simpson, and R. A. Watrous (LMHC); M. 0. LeClair (SAIC); G. 1. Borsheim (BA); R. T. Winward (MA); R. M. Orme (NHC); N. 6. Colton (PNNL); S. 1. Lambert and D. E. Place (SESC); and W. W. SchulZ (W 2 S) Lockheed Martin Hanford Corporation, Richland, WA 99352 U.S. Department of Energy Contract DE-AC06-96RL13200

  18. HNF-SD-WM-TI-740, Rev. OC

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

    84047 HNF-SD-WM-TI-740, Rev. OC Standard Inventories of Chemicals and Radionuclides in Hanford Site Tank Wastes M. J. Kupfer, A. L. Boldt, K. N. Hodgson, L. W. Shelton, B. C. Simpson, and R. A. Watrous (LMHC); M. D. LeClair (SAIC); G. 1. Borsheim (BA); R. T. Winward (MA); B. A. Higley and R. M. Orme (NHC); N. G. Colton (PNNL); S. L. Lambert and D. E. Place (Cogema); and W. W. Schulz (112S) Lockheed Martin Hanford Corporation, Richland, WA 99352 U.S. Department of Energy Contract

  19. Stable atomic structure of NiTi austenite

    SciTech Connect (OSTI)

    Zarkevich, Nikolai A; Johnson, Duane D

    2014-08-01

    Nitinol (NiTi), the most widely used shape-memory alloy, exhibits an austenite phase that has yet to be identified. The usually assumed austenitic structure is cubic B2, which has imaginary phonon modes, hence it is unstable. We suggest a stable austenitic structure that on average has B2 symmetry (observed by x-ray and neutron diffraction), but it exhibits finite atomic displacements from the ideal B2 sites. The proposed structure has a phonon spectrum that agrees with that from neutron scattering, has diffraction spectra in agreement with x-ray diffraction, and has an energy relative to the ground state that agrees with calorimetry data.

  20. EA-372 GDF Suez Energy Marketing NA, Inc. | Department of Energy

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

    2 GDF Suez Energy Marketing NA, Inc. EA-372 GDF Suez Energy Marketing NA, Inc. Order authorizing GDF Suez Energy Marketing NA, Inc. to export electric energy to Canada EA-372 GDF ...

  1. Ferroelectric-like response from the surface of SrTiO₃ crystals at high temperatures

    SciTech Connect (OSTI)

    Jyotsna, Shubhra; Arora, Ashima; Sekhon, Jagmeet S.; Sheet, Goutam

    2014-09-14

    Since SrTiO₃ has a high dielectric constant, it is used as a substrate for a large number of complex physical systems for electrical characterization. Since SrTiO₃ crystals are known to be non-ferroelectric/non-piezoelectric at room temperature and above, SrTiO₃ has been believed to be a good choice as a substrate/base material for PFM (Piezoresponse Force Microscopy) on novel systems at room temperature. In this paper, from PFM-like measurement using an atomic force microscope on bare crystals of (110) SrTiO₃ we show that ferroelectric and piezoelectric-like response may originate from bare SrTiO₃ at remarkably high temperatures up to 420 K. Electrical domain writing and erasing are also possible using a scanning probe tip on the surface of SrTiO₃ crystals. This observation indicates that the role of the electrical response of SrTiO₃ needs to be revisited in the systems where signature of ferroelectricity/piezoelectricity has been previously observed with SrTiO₃ as a substrate/base material.

  2. Preparation and properties of ce-doped TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Yan, Ningning; Zhu, Zhongqi; Zhang, Jin; Zhao, Zongyan; Liu, Qingju

    2012-08-15

    Highlights: ? The cerium ion doped TiO{sub 2} (Ce-TiO{sub 2}) powders were prepared and characterized. ? The spectrum absorption region of Ce-TiO{sub 2} is red-shifted to visible light. ? The recombination of photo-generated electron-hole pairs of Ce-TiO{sub 2} is inhibited. ? The photocatalytic activity was effected by Ce ion content and greatly improved. -- Abstract: TiO{sub 2} nanoparticles doped with different content of Ce ion were prepared by solgel method. The samples were characterized by XRD, XPS, TEM, UVVis, and PL, the photocatalytic activity was evaluated by photocatalytic degradation of methylene blue (MB) under the irradiation of fluorescent lamp. The results indicate that Ce ion is incorporated into the lattice of TiO{sub 2}, which can restrain the increase of grain size, broaden the absorption region to visible light, and inhibit the recombination of the photo-generated electron and hole pairs. Moreover, the photocatalytic activity of Ce-TiO{sub 2} in MB degradation is evidently enhanced. The MB degradation rate of the sample with Ce:Ti = 0.33% (molar ratio) in 8 h is 90.03%, which is much higher than that of P25 (68.19%).

  3. An Experimental and Theoretical Multi-Mbar Study of Ti-6Al-4V

    SciTech Connect (OSTI)

    Tegner, B E; Macleod, S G; CYNN, H; Proctor, J; Evans, W J; McMahon, M I; Ackland, G J

    2011-04-13

    We report results from an experimental and theoretical study of the room temperature (RT) compression of the ternary alloy Ti-6Al-4V. In this work, we have extended knowledge of the equation of state (EOS) from 40 GPa to 221 GPa, and observed a different sequence of phase transitions to that reported previously for pure Ti.

  4. Stoichiometric growth of SrTiO3 films by sequential pulsed laser deposition from SrO and TiO2 targets

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

    Herklotz, A; Dorr, Kathrin; Biegalski, Michael D

    2015-01-01

    We report the growth of stoichiometric SrTiO3 films by sequential pulsed laser deposition from SrO and TiO2 targets. In-situ reflection high-energy electron diffraction is used to control the growth and achieve films with excellent structural quality. The growth shows similarities to the case of molecular beam epitaxy of SrTiO3 from Sr and Ti sources. In order to further demonstrate the capability of the approach, we grow artificial Srn+1TinO3n+1 Ruddlesden-Popper phases with n = 2 and 3. Our result has potential to be extendable to other perovskite-type oxides, enabling one to grow epitaxial films with improved structural quality and electronic functionality.

  5. Enhanced hardness in epitaxial TiAlScN alloy thin films and rocksalt TiN/(Al,Sc)N superlattices

    SciTech Connect (OSTI)

    Saha, Bivas; Lawrence, Samantha K.; Bahr, David F.; Schroeder, Jeremy L.; Birch, Jens; Sands, Timothy D.

    2014-10-13

    High hardness TiAlN alloys for wear-resistant coatings exhibit limited lifetimes at elevated temperatures due to a cubic-AlN to hexagonal-AlN phase transformation that leads to decreasing hardness. We enhance the hardness (up to 46 GPa) and maximum operating temperature (up to 1050 °C) of TiAlN-based coatings by alloying with scandium nitride to form both an epitaxial TiAlScN alloy film and epitaxial rocksalt TiN/(Al,Sc)N superlattices on MgO substrates. The superlattice hardness increases with decreasing period thickness, which is understood by the Orowan bowing mechanism of the confined layer slip model. These results make them worthy of additional research for industrial coating applications.

  6. 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.

  7. Electron scattering in graphene with adsorbed NaCl nanoparticles

    SciTech Connect (OSTI)

    Drabińska, Aneta Kaźmierczak, Piotr; Bożek, Rafał; Karpierz, Ewelina; Wysmołek, Andrzej; Kamińska, Maria; Wołoś, Agnieszka; Krajewska, Aleksandra

    2015-01-07

    In this work, the results of contactless magnetoconductance and Raman spectroscopy measurements performed for a graphene sample after its immersion in NaCl solution were presented. The properties of the immersed sample were compared with those of a non-immersed reference sample. Atomic force microscopy and electron spin resonance experiments confirmed the deposition of NaCl nanoparticles on the graphene surface. A weak localization signal observed using contactless magnetoconductance showed the reduction of the coherence length after NaCl treatment of graphene. Temperature dependence of the coherence length indicated a change from ballistic to diffusive regime in electron transport after NaCl treatment. The main inelastic scattering process was of the electron-electron type but the major reason for the reduction of the coherence length at low temperatures was additional, temperature independent, inelastic scattering. We associate it with spin flip scattering, caused by NaCl nanoparticles present on the graphene surface. Raman spectroscopy showed an increase in the D and D′ bands intensities for graphene after its immersion in NaCl solution. An analysis of the D, D′, and G bands intensities proved that this additional scattering is related to the decoration of vacancies and grain boundaries with NaCl nanoparticles, as well as generation of new on-site defects as a result of the decoration of the graphene surface with NaCl nanoparticles. The observed energy shifts of 2D and G bands indicated that NaCl deposition on the graphene surface did not change carrier concentration, but reduced compressive biaxial strain in the graphene layer.

  8. 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.

  9. TiN/VN composites with core/shell structure for supercapacitors

    SciTech Connect (OSTI)

    Dong, Shanmu; Chen, Xiao; Gu, Lin; Zhou, Xinhong; Wang, Haibo; Liu, Zhihong; Han, Pengxian; Yao, Jianhua; Wang, Li; Cui, Guanglei; Chen, Liquan; Institute of Physics, Chinese Academy of Sciences, Beijing 100080

    2011-06-15

    Research highlights: {yields} Vanadium and titanium nitride nanocomposite with core-shell structure was prepared. {yields} TiN/VN composites with different V:Ti molar ratios were obtained. {yields} TiN/VN composites can provide promising electronic conductivity and favorable capacity storage. -- Abstract: TiN/VN core-shell composites are prepared by a two-step strategy involving coating of commercial TiN nanoparticles with V{sub 2}O{sub 5}.nH{sub 2}O sols followed by ammonia reduction. The highest specific capacitance of 170 F g{sup -1} is obtained when scanned at 2 mV s{sup -1} and a promising rate capacity performance is maintained at higher voltage sweep rates. These results indicate that these composites with good electronic conductivity can deliver a favorable capacity performance.

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

    SciTech Connect (OSTI)

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

    2005-01-01

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

  11. Structural Study And Optical Properties Of TiO{sub 2} Thin Films Elaborated By Thermal Oxidation Of RF Magnetron Sputtered Ti Films

    SciTech Connect (OSTI)

    Guitoume, D.; Achour, S.; Guittoum, A.; Abaidia, S. E. H.

    2008-09-23

    We report on the effect of thickness on the structural and optical properties of TiO{sub 2} thin films obtained by direct exposure of Ti metal film to thermal oxidation. Ti thin films with thicknesses ranging from 87 nm to 484 nm were deposited onto glass substrate by RF magnetron sputtering. Thereafter, the as-deposited Ti films were annealed in air at temperature equal to 520 deg. C. The structural evolution and optical properties of obtained TiO{sub 2} films were studied by means of Rutherford backscattering spectrometry (RBS), grazing incidence X-ray diffraction (GIXRD), scanning electron microscopy (SEM) and UV-Visible spectroscopy. The films thicknesses were extracted from RBS spectra. From X-ray diffraction spectra, we can see that all the films present three TiO{sub 2} phases (anatase, rutile and Brookite). The anatase and rutile phases exhibit a strong preferred orientation along (004) and (210) planes respectively. The grain sizes, D (nm), did not change much with increasing thickness. The average value of (nm) was equal to 29 nm for anatase and 26 nm for rutile. The micrographs taken from SEM experiments indicate that the films present a dense micro structure with very small grains. Transmittance spectra show that all the films present a good transparency in the visible region. The dependence of transmittance, optical band gap and refractive index on the thickness of the films was also studied.

  12. Active wear and failure mechanisms of TiN-coated high speed steel and TiN-coated cemented carbide tools when machining powder metallurgically made stainless steels

    SciTech Connect (OSTI)

    Jiang, L.; Haenninen, H.; Paro, J.; Kauppinen, V.

    1996-09-01

    In this study, active wear and failure mechanisms of both TiN-coated high speed steel and TiN-coated cemented carbide tools when machining stainless steels made by powder metallurgy in low and high cutting speed ranges, respectively, have been investigated. Abrasive wear mechanisms, fatigue-induced failure, and adhesive and diffusion wear mechanisms mainly affected the tool life of TiN-coated high speed steel tools at cutting speeds below 35 m/min, between 35 and 45 m/min, and over 45 m/min, respectively. Additionally, fatigue-induced failure was active at cutting speeds over 45 m/min in the low cutting speed range when machining powder metallurgically made duplex stainless steel 2205 and austenitic stainless steel 316L. In the high cutting speed range, from 100 to 250 m/min, fatigue-induced failure together with diffusion wear mechanism, affected the tool life of TiN-coated cemented carbide tools when machining both 316L and 2205 stainless steels. It was noticed that the tool life of TiN-coated high speed steel tools used in the low cutting speed range when machining 2205 steel was longer than that when machining 316L steel, whereas the tool life of TiN-coated cemented carbide tools used in the high cutting speed range when machining 316L steel was longer than that when machining 2205 steel.

  13. Revealing the atomic and electronic structure of a SrTiO{sub 3}/LaNiO{sub 3}/SrTiO{sub 3} heterostructure interface

    SciTech Connect (OSTI)

    Zhang, Zaoli; Soltan, S.; Schmid, H.; Habermeier, H.-U.; Keimer, B.; Kaiser, U.

    2014-03-14

    The atomic structures of SrTiO{sub 3} (STO)/LaNiO{sub 3} (LNO)/STO heterostructure interfaces were investigated by spherical aberration-corrected (C{sub S}) (scanning) transmission electron microscopy. Atomic displacement and lattice distortion measurements and electron energy loss spectroscopy (EELS) were used to quantitatively analyze the distortion of the interfacial octahedra and the bond length at the interfaces. Combined with high-resolution transmission electron microscopy (HRTEM) and scanning transmission electron microscopy analyses, two distinct interfacial atomic terminating layers are unambiguously determined. Ensuing quantitative HRTEM measurements revealed that the Ni-O bond length in the interfacial octahedral is elongated at the bottom interface (NiO{sub 2}-SrO). Atomic displacement shows structural relaxation effects when crossing the interfaces and lattice distortions across the interface is more pronounced in LNO than in STO. The Ti/O atomic ratio, La and Ti relative atomic ratio as derived by EELS quantification indicate non-stoichiometric composition at the interfaces. Distinct fine structures of Ti-L{sub 2,3} edge and O-K edge at the bottom and top interfaces are observed. By comparison, we are able to estimate Ti valency at both interfaces. Combining the structural distortions and Ti valency, the polar discontinuity and charge transfer at the interfaces are discussed.

  14. NNSA Corporate CPEP Process NNSA Honeywell FM&T PER NNSA/NA-00...

    National Nuclear Security Administration (NNSA)

    ... and ship all NA-242 International Non-proliferation Export Control Program (INECP) ... and ship all NA-242 International Non-proliferation Export Control Program (INECP) ...

  15. NNSA Supplemental Guidance: NA-1 SD G 1027 | Department of Energy

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

    Supplemental Guidance: NA-1 SD G 1027 NNSA Supplemental Guidance: NA-1 SD G 1027 Guidance on using Release Fraction and Modern Dosimetric information consistently with DOE STD ...

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

    SciTech Connect (OSTI)

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

    2014-04-01

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

  17. Analysis of NaOH releases for Hanford tank farms

    SciTech Connect (OSTI)

    Ryan, G.W., Westinghouse Hanford

    1996-09-12

    The information contained in the canceled document is now located in the document: Consequence Analysis of a NaOH Solution Spray Release During Addition to Waste Tank, WHC-SD-WM-CN-065.

  18. NaIrO3A Pentavalent Post-perovskite

    SciTech Connect (OSTI)

    M Bremholm; S Dutton; P Stephens; R Cava

    2011-12-31

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

  19. Office of Nuclear Material Integration (ONMI), NA-73

    National Nuclear Security Administration (NNSA)

    Office of Nuclear Material Integration (ONMI), NA-73 Over 420 Government & Commercial Nuclear Entities currently report to NMMSS Mission U.S. Government's Official Database to Track Transactions, Movements and Inventories of Nuclear Materials throughout the U.S. as well as Imports and Exports Jointly funded by the NRC & NNSA - Managed by NA-73 Fuel Cycle Facilities  Conversion  Enrichment  Fuel Fabrication  Power Reactors, etc. DOE/NNSA  Defense Programs  Naval

  20. 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.

  1. Brazing ZrO{sub 2} ceramic to Ti6Al4V alloy using NiCrSiB amorphous filler foil: Interfacial microstructure and joint properties

    SciTech Connect (OSTI)

    Cao, J., E-mail: cao_jian@hit.edu.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Song, X.G., E-mail: song_xiaoguohit@yahoo.com.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Li, C., E-mail: li_chun1989@yahoo.cn [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Zhao, L.Y., E-mail: Zhao_ly@163.com [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Feng, J.C., E-mail: feng_jicai@163.com [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2013-07-15

    Reliable brazing of ZrO{sub 2} ceramic and Ti6Al4V alloy was achieved using NiCrSiB amorphous filler foil. The interfacial microstructure of ZrO{sub 2}/Ti6Al4V joints was characterized by scanning electron microscope, energy dispersive spectrometer and micro-focused X-ray diffractometer. The effects of brazing temperature on the interfacial microstructure and joining properties of brazed joints were investigated in detail. Active Ti of Ti6Al4V alloy dissolved into molten filler metal and reacted with ZrO{sub 2} ceramic to form a continuous TiO reaction layer, which played an important role in brazing. Various reaction phases including Ti{sub 2}Ni, Ti{sub 5}Si{sub 3} and ?-Ti were formed in brazed joints. With an increasing of brazing temperature, the TiO layer thickened gradually while the Ti{sub 2}Ni amount reduced. Shear test indicated that brazed joints tend to fracture at the interface between ZrO{sub 2} ceramic and brazing seam or Ti{sub 2}Ni intermetallic layer. The maximum average shear strength reached 284.6 MPa when brazed at 1025 C for 10 min. - Graphical Abstract: Interfacial microstructure of ZrO{sub 2}/TC4 joint brazed using NiCrSiB amorphous filler foil was: ZrO{sub 2}/TiO/Ti{sub 2}Ni + ?-Ti + Ti{sub 5}Si{sub 3}/?-Ti/Widmansttten structure/TC4. - Highlights: Brazing of ZrO{sub 2} ceramic and Ti-6Al-4V alloy was achieved. Interfacial microstructure was TiO/Ti{sub 2}Ni + ? + Ti{sub 5}Si{sub 3}/?/Widmansttten structure. The formation of TiO produced the darkening effect of ZrO{sub 2} ceramic. The highest joining strength of 284.6MPa was obtained.

  2. Graphene oxide modified TiO2 nanotube arrays?enhanced visible light photoelectrochemical properties

    SciTech Connect (OSTI)

    Song, Peng; Zhang, Xiao-Yan; Sun, Mingxun; Cui, Xiao-Li; Lin, Yuehe

    2012-03-01

    Novel nanocomposite films based on graphene oxide (GO) and TiO{sub 2} nanotube arrays were synthesized by assembling GO on the surface of self-organized TiO{sub 2} nanotube arrays through a simple assembling method. The composite films were characterized with field emission scanning electron microscopy, X-ray diffraction, Raman spectroscopy, and UV-vis diffuse reflectance spectroscopy. Photoelectrochemical properties of the composite nanotube arrays were investigated under visible light illumination. Remarkably enhanced visible light photoelectrochemical response was observed for the GO decorated TiO{sub 2} nanotube composite electrode compared with pristine TiO{sub 2} nanotube arrays. Sensitizing effect of GO on the photoelectrochemical response of TiO{sub 2} nanotube arrays was demonstrated and about 15 times enhanced maximum photoconversion efficiency was obtained with the presence of GO. Enhanced photocatalytic activity of TiO{sub 2} nanotube arrays towards degradation of methyl blue was also demonstrated after modification of GO. The results presented here demonstrate GO to be efficient for the improvement of utilization of visible light for TiO{sub 2} nanotube arrays.

  3. 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.

  4. Direct Evidence of Lithium-Induced Atomic Ordering in Amorphous TiO2 Nanotubes

    SciTech Connect (OSTI)

    Gao, Qi; Gu, Meng; Nie, Anmin; Mashayek, Farzad; Wang, Chong M.; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2014-01-27

    In this paper, we report the first direct chemical and imaging evidence of lithium-induced atomic ordering in amorphous TiO2 nanomaterials and propose new reaction mechanisms that contradict the many works in the published literature on the lithiation behavior of these materials. The lithiation process was conducted in situ inside an atomic resolution transmission electron microscope. Our results indicate that the lithiation started with the valence reduction of Ti4+ to Ti3+ leading to a LixTiO2 intercalation compound. The continued intercalation of Li ions in TiO2 nanotubes triggered an amorphous to crystalline phase transformation. The crystals were formed as nano-islands and identified to be Li2Ti2O4 with cubic structure (a = 8.375 ). The tendency for the formation of these crystals was verified with density functional theory (DFT) simulations. The size of the crystalline islands provides a characteristic length scale (?5 nm) at which the atomic bonding configuration has been changed within a short time period. This phase transformation is associated with local inhomogeneities in Li distribution. On the basis of these observations, a new reaction mechanism is proposed to explain the first cycle lithiation behavior in amorphous TiO2 nanotubes.

  5. Nanoscale compositional analysis of NiTi shape memory alloy films deposited by DC magnetron sputtering

    SciTech Connect (OSTI)

    Sharma, S. K.; Mohan, S.; Bysakh, S.; Kumar, A.; Kamat, S. V.

    2013-11-15

    The formation of surface oxide layer as well as compositional changes along the thickness for NiTi shape memory alloy thin films deposited by direct current magnetron sputtering at substrate temperature of 300 °C in the as-deposited condition as well as in the postannealed (at 600 °C) condition have been thoroughly studied by using secondary ion mass spectroscopy, x-ray photoelectron spectroscopy, and scanning transmission electron microscopy-energy dispersive x-ray spectroscopy techniques. Formation of titanium oxide (predominantly titanium dioxide) layer was observed in both as-deposited and postannealed NiTi films, although the oxide layer was much thinner (8 nm) in as-deposited condition. The depletion of Ti and enrichment of Ni below the oxide layer in postannealed films also resulted in the formation of a graded microstructure consisting of titanium oxide, Ni{sub 3}Ti, and B2 NiTi. A uniform composition of B2 NiTi was obtained in the postannealed film only below a depth of 200–250 nm from the surface. Postannealed film also exhibited formation of a ternary silicide (Ni{sub x}Ti{sub y}Si) at the film–substrate interface, whereas no silicide was seen in the as-deposited film. The formation of silicide also caused a depletion of Ni in the film in a region ∼250–300 nm just above the film substrate interface.

  6. Photo-oxidative degradation of TiO{sub 2}/polypropylene films

    SciTech Connect (OSTI)

    Garca-Montelongo, X.L.; Martnez-de la Cruz, A.; Vzquez-Rodrguez, S.; Torres-Martnez, Leticia M.

    2014-03-01

    Graphical abstract: - Highlights: Photo-oxidative degradation of polypropylene is accelerated by TiO{sub 2} incorporation. Weight loss, FTIR, SEM and GPC shown high degree of degradation of polypropylene. A mechanism of the photo-degradation of polypropylene by TiO{sub 2} is proposed. - Abstract: Photo-oxidative degradation of polypropylene films with TiO{sub 2} nanoparticles incorporated was studied in a chamber of weathering with Xenon lamps as irradiation source. TiO{sub 2} powder with crystalline structure of anatase was synthesized by thermal treatments at 400 and 500 C starting from a precursor material obtained by solgel method. Composites of TiO{sub 2}/polypropylene were prepared with 0.1, 0.5 and 1.0 wt% of TiO{sub 2}. The mixture of components was performed using a twin screw extruder, the resulting material was pelletized by mechanical fragmenting and then hot-pressed in order to form polypropylene films with TiO{sub 2} dispersed homogeneously. Photo-oxidative degradation process was followed by visual inspection, weight loss of films, scanning electron microscopy (SEM), infrared spectroscopy with Fourier transformed (FTIR), and gel permeation chromatography (GPC)

  7. Composite WO3/TiO2 nanostructures for high electrochromic activity

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

    Reyes-Gil, Karla R.; Stephens, Zachary D.; Stavila, Vitalie; Robinson, David B.

    2015-01-06

    A composite material consisting of TiO2 nanotubes (NT) with WO3 electrodeposited on its surface has been fabricated, detached from its Ti substrate, and attached to a fluorine-doped tin oxide (FTO) film on glass for application to electrochromic (EC) reactions. Several adhesion layers were tested, finding that a paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length and WO3 concentration on the EC performancemore » were studied. As a result, the composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast, and longer memory time compared with the pure WO3 and TiO2 materials« less

  8. 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.

  9. Tailoring the crystal structure of TiO{sub 2} thin films from the anatase to rutile phase

    SciTech Connect (OSTI)

    Kotake, Haruka; Jia, Junjun; Nakamura, Shin-ichi; Shigesato, Yuzo; Okajima, Toshihiro

    2015-07-15

    TiO{sub 2} films with various Sn concentrations were deposited on quartz substrates using rf reactive magnetron sputtering. The crystal structure was investigated by using x-ray diffraction, Raman spectroscopy, and transmission electron microscopy, and the chemical states of Ti and Sn were analyzed by x-ray absorption near edge structure (XANES) spectroscopy. Without Sn doping, TiO{sub 2} films change the crystal structure from rutile to anatase as the total gas pressure increases in the sputtering deposition. On the other hand, Sn doping induces the transformation of TiO{sub 2} crystalline structure from anatase to rutile phase, where the XANES spectra implied that Sn substitutes into Ti site of rutile TiO{sub 2}. Atomic force microscope analyses revealed that the Sn-doped TiO{sub 2} films exhibited a flat surface with the roughness of approximately 2 nm.

  10. Efficient photocatalytic degradation of gaseous formaldehyde by the TiO{sub 2}/tourmaline composites

    SciTech Connect (OSTI)

    Zhang, Gaoke Qin, Xi

    2013-10-15

    Graphical abstract: - Highlights: The TiO{sub 2}/tourmaline composites were prepared by a solgel method. The composites exhibited excellent photocatalytic activity and good stability. The physicochemical property of tourmaline may be favor for the degradation of HCHO. The mixed-phase of anatase and rutile TiO{sub 2} may be favor for the degradation of HCHO. - Abstract: The TiO{sub 2} supported tourmaline composites were prepared by a solgel method and used as a photocatalyst for the degradation of formaldehyde (HCHO). The composites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), N{sub 2} adsorptiondesorption, Fourier transform infrared (FT-IR) spectroscopy and UVvis diffuse reflectance spectroscopy (UVvis DRS). The results indicate that the mixed-phase of anatase and rutile exists in the TiO{sub 2}/tourmaline composites. The specific surface area of the TiO{sub 2}/tourmaline composites is much higher than that of the pure TiO{sub 2}. The TiO{sub 2}/tourmaline composites exhibited excellent photocatalytic activity for the degradation of HCHO, which was 6 times higher than that of the pure TiO{sub 2}. Moreover, the excellent photocatalytic activity of the composites was fully maintained after five photocatalytic cycles, which may be attributed to the physicochemical property of tourmaline and the mixed-phase of anatase and rutile in the TiO{sub 2}/tourmaline composites.

  11. Electrochromism in sol-gel deposited TiO(sub 2) films

    SciTech Connect (OSTI)

    Bell, J.M.; Barczynska, J.; Evans, L.A.; MacDonald, K.A.; Wang, J.; Green, D.C.; Smith, G.B.

    1994-12-31

    Electrochromism in sol-gel deposited TiO{sub 2} films and films containing TiO{sub 2} and WO{sub 3} has been observed. The films are deposited by dip-coating from a precursor containing titanium isopropoxide in ethanol or titanium propoxide in ethanol, and after deposition the films are heat treated to between 250 C and 300 C. The films do not show any signs of crystallinity. However substantial coloration is observed using Li{sup +} ions in a non-aqueous electrolyte, both in pure TiO{sub 2} films and in mixed metal oxide films (WO{sub 3}:TiO{sub 2}), although the voltage required to produce coloration is different in the two cases. Results will be presented detailing the optical switching and charge transport properties of the films during cyclic voltammetry. These results will be used to compare the performance of the TiO{sub 2} films with other electrochromics. The TiO{sub 2} and mixed metal films all color cathodically, and the colored state is a neutral greyish color for TiO{sub 2}, while the bleached state is transparent and colorless. Results on coloration efficiency and the stability under repeated electrochemical cycling will also be presented. The neutral color of the TiO{sub 2} films and mixed-metal films means that electrochromic windows based on TiO{sub 2} may have significant advantages over WO{sub 3}-based windows. A detailed analysis of the optical properties of the colored state of the films will be presented. The dynamics of coloration for these films is also under investigation, and preliminary results will be presented.

  12. Characterization of oxygen and titanium diffusion at the anatase TiO2(001) surface

    SciTech Connect (OSTI)

    Herman, Gregory S.; Zehr, Robert T.; Henderson, Michael A.

    2013-06-01

    The diffusion of intrinsic defects in a single crystal anatase TiO2(001) film was explored by isotopic labeling and static secondary ion mass spectrometry. Using both 46Ti and 18O as isotopic labels, we show that the anatase surface responds to redox imbalances by diffusion of both Ti and O into the bulk under vacuum reduction and (at least) Ti from the bulk to the surface during oxidation. The diffusion of Ti between the bulk and surface in anatase TiO2(001) closely resembles what was observed in the literature for the rutile TiO2(110) surface, however the latter is not known to have oxygen diffusion between the bulk and surface under typical ultrahigh vacuum conditions. We speculate that the open lattice of the anatase bulk structure may facilitate independent diffusion of both point defects (Ti interstitials and O vacancies) or concerted diffusion of "TiO" subunits. The authors gratefully acknowledge S.A. Chambers of Pacific Northwest National Laboratory (PNNL) for providing the anatase samples. This research was supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, the Office of Naval Research Contract Number 200CAR262, and the Oregon Nanoscience and Microtechnologies Institute. PNNL is operated for the U.S. DOE by Battelle under Contract Number DE05-AC76RL0 1830. The research was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility funded by the U.S. DOE Office of Biological and Environmental Research.

  13. Atomic structure of nanometer-sized amorphous TiO2

    SciTech Connect (OSTI)

    Zhang, H.; Chen, B.; Banfield, J.F.; Waychunas, G.A.

    2008-10-15

    Amorphous titania (TiO{sub 2}) is an important precursor for synthesis of single-phase nanocrystalline anatase. We synthesized x-ray amorphous titania by hydrolysis of titanium ethoxide at the ice point. Transmission electron microscopy examination and nitrogen gas adsorption indicated the particle size of the synthesized titania is {approx} 2 nm. Synchrotron wide-angle x-ray scattering (WAXS) was used to probe the atomic correlations in this amorphous sample. Atomic pair-distribution function (PDF) derived from Fourier transform of the WAXS data was used for reverse Monte Carlo (RMC) simulations of the atomic structure of the amorphous TiO{sub 2} nanoparticles. Molecular dynamics simulations were used to generate input structures for the RMC. X-ray absorption spectroscopy (XAS) simulations were used to screen candidate structures obtained from the RMC by comparing with experimental XAS data. The structure model that best describes both the WAXS and XAS data shows that an amorphous TiO{sub 2} particle consists of a highly distorted shell and a small strained anatase-like crystalline core. The average coordination number of Ti is 5.3 and most Ti-O bonds are populated around 1.940 {angstrom}. Relative to bulk TiO{sub 2}, the reduction of the coordination number is primarily due to the truncation of the Ti-O octahedra at the amorphous nanoparticle surface and the shortening of the Ti-O bond length to the bond contraction in the distorted shell. The preexistence of the anatase-like core may be critical to the formation of single-phase nanocrystalline anatase in crystallization of amorphous TiO{sub 2} upon heating.

  14. Giant strain with ultra-low hysteresis and high temperature stability in grain oriented lead-free K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-Na₀̣₅Bi₀̣₅TiO₃ piezoelectric materials

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

    Maurya, Deepam; Zhou, Yuan; Wang, Yaojin; Yan, Yongke; Li, Jiefang; Viehland, Dwight; Priya, Shashank

    2015-02-26

    We synthesized grain-oriented lead-free piezoelectric materials in (K₀̣₅Bi₀̣₅TiO₃-BaTiO₃-xNa₀̣₅Bi₀̣₅TiO₃ (KBT-BT-NBT) system with high degree of texturing along the [001]c (c-cubic) crystallographic orientation. We demonstrate giant field induced strain (~0.48%) with an ultra-low hysteresis along with enhanced piezoelectric response (d₃₃ ~ 190pC/N) and high temperature stability (~160°C). Transmission electron microscopy (TEM) and piezoresponse force microscopy (PFM) results demonstrate smaller size highly ordered domain structure in grain-oriented specimen relative to the conventional polycrystalline ceramics. The grain oriented specimens exhibited a high degree of non-180° domain switching, in comparison to the randomly axed ones. These results indicate the effective solution to the lead-free piezoelectricmore » materials.« less

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

    SciTech Connect (OSTI)

    Sun Yue; Liu Jiawen; Li Zhonghua

    2011-08-15

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

  16. 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.

  17. Transparent TiO2 nanotube array photoelectrodes prepared via two-step anodization

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

    Kim, Jin Young; Zhu, Kai; Neale, Nathan R.; Frank, Arthur J.

    2014-04-04

    Two-step anodization of transparent TiO2 nanotube arrays has been demonstrated with aid of a Nb-doped TiO2 buffer layer deposited between the Ti layer and TCO substrate. Enhanced physical adhesion and electrochemical stability provided by the buffer layer has been found to be important for successful implementation of the two-step anodization process. As a result, with the proposed approach, the morphology and thickness of NT arrays could be controlled very precisely, which in turn, influenced their optical and photoelectrochemical properties.

  18. Doping of TiO 2 Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    Tmore » his paper reviews recent investigations of the influence of dopants on the optical properties of TiO 2 polymorphs.he common undoped polymorphs of TiO 2 are discussed and compared.he results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of the TiO 2 electronic structure, which is supported with first-principles calculations.« less

  19. Structural characterization and electronic structure of laser treated TiN thin film

    SciTech Connect (OSTI)

    Soni, Sheetal; Nair, K. G. M.; Phase, D. M.; Gupta, Ratnesh

    2012-06-05

    TiN thin films prepared by laser treatment using Kr-F excimer laser in the controlled atmosphere. The depth distribution and composition of nitrogen and contaminated oxygen have been determined by non-Rutherford proton backscattering using 1.7 MeV Tendetron accelerator. The electronic structure of TiN thin film have been characterized by resonant photoelectron spectroscopy using indus-I synchrotron radiation. Specifically, complex resonance profile that shows the enhancement at 45 eV which is consistent with the resonant photoemission of Ti 3d states involved in the Titanium nitride and oxide.

  20. Photo-induced wettability of TiO{sub 2} film with Au buffer layer

    SciTech Connect (OSTI)

    Purkayastha, Debarun Dhar; Sangani, L. D. Varma; Krishna, M. Ghanashyam; Madhurima, V.

    2014-04-24

    The effect of thickness of Au buffer layer (15-25 nm) between TiO{sub 2} film and substrate on the wettability of TiO{sub 2} films is reported. TiO{sub 2} films grown on Au buffer layer have a higher contact angle of 96-;100 as compared to 47.6o for the film grown without buffer layer. The transition from hydrophobicity to hydrophilicity under UV irradiation occurs within 10 min. for the buffer layered films whereas it is almost 30 min. for the film grown without buffer layer. The enhanced photo induced hydrophilicity is shown to be surface energy driven.

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

    SciTech Connect (OSTI)

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

    1996-04-01

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

  2. Doping ofTiO2Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    This paper reviews recent investigations of the influence of dopants on the optical properties ofTiO2polymorphs. The common undoped polymorphs ofTiO2are discussed and compared. The results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of theTiO2electronic structure, which is supported with first-principles calculations.

  3. Electron microscopy of Mg/TiO{sub 2} photocatalyst morphology for deep desulfurization of diesel

    SciTech Connect (OSTI)

    Yin, Yee Cia; Kait, Chong Fai Fatimah, Hayyiratul Wilfred, Cecilia

    2015-07-22

    A series of Mg/TiO{sub 2} photocatalysts were prepared and characterized using Field Emission Scanning Electron Microscopy (FESEM) and High-Resolution Transmission Electron Microscopy (HRTEM). The average particle sizes of the photocatalysts were ranging from 25.7 to 35.8 nm. Incorporation of Mg on TiO{sub 2} did not lead to any surface lattice distortion to TiO{sub 2}. HRTEM data indicated the presence of MgO and Mg(OH){sub 2} mixture at low Mg loading while at higher Mg loading, the presence of lamellar Mg-oxyhydroxide intermediates and Mg(OH){sub 2}.

  4. Structural evolution in Ti-Cu-Ni metallic glasses during heating

    SciTech Connect (OSTI)

    Gargarella, P.; Pauly, S.; Stoica, M.; Khn, U.; Vaughan, G.; Afonso, C. R. M.; Eckert, J.

    2015-01-01

    The structural evolution of Ti{sub 50}Cu{sub 43}Ni{sub 7} and Ti{sub 55}Cu{sub 35}Ni{sub 10} metallic glasses during heating was investigated by in-situ synchrotron X-ray diffraction. The width of the most intense diffraction maximum of the glassy phase decreases slightly during relaxation below the glass transition temperature. Significant structural changes only occur above the glass transition manifesting in a change in the respective peak positions. At even higher temperatures, nanocrystals of the shape memory B2-Ti(Cu,Ni) phase precipitate, and their small size hampers the occurrence of a martensitic transformation.

  5. 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.

  6. Model NbTi Helical Solenoid Fabrication and Test Results

    SciTech Connect (OSTI)

    Andreev, N.; Barzi, E.; Chlachidze, G.; Evbota, D.; Kashikhin, V.S.; Kashikhin, V.V.; Lamm, M.J.; Makarov, A.; Novitski, I.; Orris, D.F.; Tartaglia, M.A.; /Fermilab

    2011-09-01

    A program to develop model magnets for a helical cooling channel is under way at Fermilab. In the first steps of a planned sequence of magnets, two four-coil helical solenoid models with 300 mm aperture have been fabricated and tested. These two models, HSM01 and HSM02, used insulated NbTi Rutherford cable wound onto stainless steel rings with spliceless transitions between coils. Strip heaters were included for quench protection of each coil, and the coils were epoxy-impregnated after winding inside the support structures. Based on the results of the first model the second model was made using a cable with optimized cross-section, improved winding and epoxy-impregnation procedures, enhanced ground insulation, and included heat exchange tubing for a test of conduction cooling. We report on the results and lessons learned from fabrication and tests of these two models.

  7. Chemical vapor infiltration of TiB{sub 2} composites

    SciTech Connect (OSTI)

    Besmann, T.M.

    1995-05-01

    This program is designed to develop a Hall-Heroult aluminum smelting cathode with substantially improved properties. The carbon cathodes in current use require significant anode-to-cathode spacing in order to prevent shorting, causing significant electrical inefficiencies. This is due to the non-wettability of carbon by aluminum which causes instability in the cathodic aluminum pad. It is suggested that a fiber reinforced-TiB{sub 2} matrix composite would have the requisite wettability, strength, strain-to-failure, cost, and lifetime to solve this problem. The approach selected to fabricate such a cathode material is chemical vapor infiltration (CVI). This program is designed to evaluate potential fiber reinforcements, fabricate test specimens, and test the materials in a static bath and lab-scale Hall cell.

  8. Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3

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

    Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro; Seshadri, Ram

    2015-12-16

    The characteristic structural off -centering of Pb2+ in oxides, associated with its 6s2 lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr0.9Sn0.1TiO3 and Ba0.79Ca0.16Sn0.05TiO3 using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn2+ appears to display some of the characteristics of Pb2+. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compounds SrTiO3 and BaTiO3. Lastly, we find that even at these smallmore » substitution levels, the Sn2+ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO3 rather than the parent compounds.« less

  9. Magnetism in Na-filled Fe-based skutterudites

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

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    2015-06-01

    The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. We investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe4Sb12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for a material nearmore » an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.« less

  10. Magnetism in Na-filled Fe-based skutterudites

    SciTech Connect (OSTI)

    Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao; Ma, Yanming; Shi, Hongliang; Singh, David J.

    2015-06-01

    The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. We investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe4Sb12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for a material near an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form.

  11. Growth control of oxygen stoichiometry in homoepitaxial SrTiO3...

    Office of Scientific and Technical Information (OSTI)

    Growth control of oxygen stoichiometry in homoepitaxial SrTiO3 films by pulsed laser epitaxy in high vacuum Prev Next Title: Growth control of oxygen stoichiometry in ...

  12. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore »the boundary plane is further confirmed by first principles theoretical calculations.« less

  13. An experimental study of the (Ti-6Al-4V)-xH phase diagram using...

    Office of Scientific and Technical Information (OSTI)

    An experimental study of the (Ti-6Al-4V)-xH phase diagram using in situ synchrotron XRD and TGADSC techniques This content will become publicly available on February 10, 2017 ...

  14. 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).

  15. 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 ...

  16. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

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

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore » the boundary plane is further confirmed by first principles theoretical calculations.« less

  17. Process for producing Ti-Cr-Al-O thin film resistors

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2001-01-01

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

  18. Flat panel display using Ti-Cr-Al-O thin film

    DOE Patents [OSTI]

    Jankowski, Alan F.; Schmid, Anthony P.

    2002-01-01

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

  19. Mechanical properties of bulk and nanoscale TiO[subscript 2] phases

    SciTech Connect (OSTI)

    Swamy, V.; Holbig, E.; Dubrovinksy, L.S.; Prakapenka, V.; Muddle, B.C.

    2008-09-11

    The mechanical properties of bulk and nanoscale TiO{sub 2} phases are examined with a view to assess the available bulk modulus and hardness data, and to understand the size-dependent behaviors. The bulk modulus values of thermodynamically stable bulk TiO{sub 2} phases show a general correlation with Ti-O coordination number. As with the cotunnite-structured (OII) phase, it is likely that the seven-coordinated OI and eight-coordinated fluorite forms of TiO{sub 2} are ultrahard substances. Of the nanoscale phases investigated thus far, nanocrystalline anatase displays the strongest size dependence of bulk modulus values, with possible stiffening behavior effected by incipient grain boundary amorphization under pressure. Nanocrystalline rutile and baddeleyite phases do not show appreciable size dependence in their compression behaviors.

  20. Preparation of atomically flat rutile TiO2(001) surfaces for...

    Office of Scientific and Technical Information (OSTI)

    surfaces for oxide film growth This content will become publicly available on January 1, 2017 Prev Next Title: Preparation of atomically flat rutile TiO2(001) surfaces ...

  1. 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: ...

  2. Infrared optical absorption in low-spin Fe 2+ -doped SrTiO 3...

    Office of Scientific and Technical Information (OSTI)

    This content will become publicly available on January 6, 2017 Title: Infrared optical absorption in low-spin Fe 2+ -doped SrTiO 3 Authors: Comes, Ryan B. ; Kaspar, Tiffany C. ; ...

  3. Irradiation creep of the US Heat 832665 of V-4Cr-4Ti (Journal...

    Office of Scientific and Technical Information (OSTI)

    The paper presents irradiation creep data for V-4Cr-4Ti irradiated to 3.7 dpa at 425 and 600 C in the HFIR-17J experiment. Creep deformation was characterized by measuring ...

  4. Adhesion strength of sputtered TiAlN-coated WC insert tool

    SciTech Connect (OSTI)

    Budi, Esmar; Razali, M. Mohd.; Nizam, A. R. Md.

    2013-09-09

    The adhesion strength of TiAlN coating that deposited by using DC magnetron sputtering on WC insert tool are studied. TiAlN coating are deposited on Tungsten Carbide (WC) insert tool by varying negatively substrate bias from 79 to 221 volt and nitrogen flow rate from 30 to 72 sccm. The adhesion strength are obtained by using Rockwell indentation test method with a Brale diamond at applied load of 60,100 and 150 kgf. The lateral diameter of indentation is plotted on three different applied loads and the adhesion strength of TiAlN coating was obtained from the curved slopes at 100 and 150 kgf. The lower curve slop indicated better adhesion strength. The results shows that the adhesion strength of sputterred TiAlN coating tend to increase as the negatively substrate bias and nitrogen flow rate are increased.

  5. A New Method of Low Cost Production of Ti Alloys to Reduce Energy...

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

    by sintering of TiH 2 in (a) hydrogen, (b) vacuum (SEM ) Refine grain sizes by controlling H 2 content and phase transformation in as-sintered state High density - >99% ...

  6. Infrared Optical Absorption in Low-spin Fe2+-doped SrTiO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Title: Infrared Optical Absorption in Low-spin Fe2+-doped SrTiO3 Band gap engineering in ... The novel electronic states observed here offer a new avenue for band gap engineering in ...

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

    Office of Scientific and Technical Information (OSTI)

    IN THE TI-V ALLOY SYSTEM Citation Details In-Document ... OSTI Identifier: 1108866 Report Number(s): LLNL-JRNL-635374 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal ...

  8. A new low-voltage plateau of Na3V2(PO4)(3) as an anode for Na-ion batteries

    SciTech Connect (OSTI)

    Jian, ZL; Sun, Y; Ji, XL

    2015-01-01

    A low-voltage plateau at similar to 0.3 V is discovered for the deep sodiation of Na3V2(PO4)(3) by combined computational and experimental studies. This new low-voltage plateau doubles the sodiation capacity of Na3V2(PO4)(3), thus turning it into a promising anode for Na-ion batteries.

  9. Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres: Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres

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

    Khromova, Irina; Kužel, Petr; Brener, Igal; Reno, John L.; Chung Seu, U-Chan; Elissalde, Catherine; Maglione, Mario; Mounaix, Patrick; Mitrofanov, Oleg

    2016-06-27

    Monocrystalline titanium dioxide (TiO2) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO2 micro-resonators can be used to enhance the interplay of magnetic and electric dipolemore » resonances in the emerging THz all-dielectric metamaterial technology.« less

  10. 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.

  11. Hydrogenated TiO{sub 2} film for enhancing photovoltaic properties of solar cells and self-sensitized effect

    SciTech Connect (OSTI)

    He, Hongcai; Yang, Kui; Wang, Ning Luo, Feifei; Chen, Haijun

    2013-12-07

    Hydrogenated TiO{sub 2} film was obtained by annealing TiO{sub 2} film at 350 °C for 2 h with hydrogen, and TiO{sub 2} films were prepared by screen printing on fluorine-doped tin oxide glass. Structural characterization by X-ray diffraction and electron microscopy did not show obvious difference between hydrogenated TiO{sub 2} film and pristine TiO{sub 2} film. Through optical and electrochemical characterization, the hydrogenated TiO{sub 2} film showed enhanced absorption and narrowed band gap, as well as reduced TiO{sub 2} surface impedance and dark current. As a result, an obviously enhanced photovoltaic effect was observed in the solar cell with hydrogenated TiO{sub 2} as photoanode without adding any dye due to the self-sensitized effect of hydrogenated TiO{sub 2} film, which excited electrons injecting internal conduction band of TiO{sub 2} to generate more photocurrent.

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

    SciTech Connect (OSTI)

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

    2014-01-15

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

  13. Two-frequency lidar technique for mesospheric Na temperature measurements

    SciTech Connect (OSTI)

    She, C.Y.; Latifi, H.; Yu, J.R.; Alvarez, R.J. II ); Bills, R.E.; Gardner, C.S. )

    1990-06-01

    The authors describe a new two-frequency lidar for measuring Na temperature profiles that uses a stabilized cw single-mode dye laser oscillator (rms frequency jitter < 1 MHz) followed by a pulsed-dye power amplifier (140 MHz FWHM linewidth) which is pumped by an injection-locked Nd:YAG laser. The laser oscillator is tuned to the two operating frequencies by observing the Doppler-free structure of the Na D{sub 2} fluorescence spectrum in a vapor cells. The lidar technique and the initial observations of the temperature profile between 82 and 102 km at Ft. Collins, CO (40.6{degree}N,105{degree}W) are described. Absolute temperature accuracies at the Na layer peak of better than {plus minus}3 K with a vertical resolution of 1 km and an integration period of approximately 5 min were achieved.

  14. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-15

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6Al-4V). Following gas conditioning, each TiN-coated aluminum electrode reached −225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ∼22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  15. Observation of Ti{sup 4+} ions in a high power impulse magnetron sputtering plasma

    SciTech Connect (OSTI)

    Andersson, Joakim; Anders, Andre; Ehiasarian, Arutiun P.

    2008-08-18

    Multiply charged titanium ions including Ti{sup 4+} were observed in high power impulse magnetron sputtering discharges. Mass/charge spectrometry was used to identify metal ion species. Quadruply charged titanium ions were identified by isotope-induced broadening at mass/charge 12. Due to their high potential energy, Ti{sup 4+} ions give a high yield of secondary electrons, which in turn are likely to be responsible for the generation of multiply charged states.

  16. TiN coated aluminum electrodes for DC high voltage electron guns

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

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloymore » (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.« less

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

    SciTech Connect (OSTI)

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

    1991-01-01

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

  18. Preparation and properties of sliver and nitrogen co-doped TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Zhang, Ying; Zhang, Jin; Zhu, Zhongqi; Yan, Ningning; Liu, Qingju

    2013-11-15

    Graphical abstract: - Highlights: The silver and nitrogen co-doped TiO{sub 2} photocatalysts were prepared and characterized. The light absorption threshold wavelength of AgNTiO{sub 2} is red-shifted to visible light. The recombination of the photo-generated electrons and holes of AgNTiO{sub 2} is inhibited. The photocatalytic activity of AgNTiO{sub 2} is remarkable improved. - Abstract: TiO{sub 2} photocatalysts co-doped with different content of Ag and N were prepared by solgel method combined with microwave chemical method. The samples were analyzed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscope (TEM), ultravioletvisible diffuse reflectance spectrum (UVvis) and photo-luminescence emission spectrum (PL). The photocatalytic activity was investigated by photocatalytic degradation of methylene blue (MB) under irradiation of fluorescent lamp. The results indicate that Ag and N co-doping can restrain the increase of grain size, broaden the absorption spectrum to visible light region, and inhibit the recombination of the photo-generated electronhole pairs. Moreover, the photocatalytic activity of AgNTiO{sub 2} in MB degradation is remarkable improved. The degradation rate of the sample with Ag:TiO{sub 2} = 0.05 at%, N:TiO{sub 2} = 18.50 wt% in 5 h is 93.44%, which is much higher than that of Degussa P25 (39.40%)

  19. 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.

  20. TiN coated aluminum electrodes for DC high voltage electron guns

    SciTech Connect (OSTI)

    Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.; Taus, Rhys; Forman, Eric; Poelker, Matthew

    2015-05-01

    Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6AI-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40 mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching ~22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes.

  1. Composite WO3/TiO2 nanostructures for high electrochromic activity.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Stephens, Zachary Dan.; Robinson, David B.

    2013-05-01

    A composite material consisting of TiO2 nanotubes (NTs) with WO3 electrodeposited homogeneously on its surface has been fabricated, detached from its substrate, and attached to a fluorine-doped tin oxide film on glass for application to electrochromic (EC) reactions. A paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length on the current density and the EC contrast of the material were studied. The EC redox reaction seen in this material is diffusion- limited, having relatively fast reaction rates at the electrode surface. The composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast and longer memory time compared with the pure WO3 and TiO2.

  2. Structural, morphological and interfacial characterization of Al-Mg/TiC composites

    SciTech Connect (OSTI)

    Contreras, A. . E-mail: acontrer@imp.mx; Angeles-Chavez, C.; Flores, O.; Perez, R.

    2007-08-15

    Morphological and structural characterization of Al-Mg/TiC composites obtained by infiltration process and wetting by the sessile drop technique were studied. Focusing at the interface, wetting of TiC substrates by molten Al-Mg-alloys at 900 deg. C was investigated. Electron probe microanalysis (EPMA) indicated that aluminum carbide (Al{sub 4}C{sub 3}) is formed at the interface and traces of TiAl{sub 3} in the wetting assemblies were detected. Scanning Electron Microscopy (SEM) observations show that TiC particles do not appear to be uniformly attacked to produce a continuous layer of Al{sub 4}C{sub 3} at the interface. Molten Al-Mg-alloys were infiltrated into TiC preforms with flowing argon at a temperature of 900 deg. C. In the composites no reaction phase was observed by SEM. Quantification of the Al phase in the composite was carried out by X-ray diffraction (XRD) and Rietveld analysis. Chemical mapping analyzed by SEM shows that the Al-Mg alloy surrounds TiC particles. In the composites with 20 wt.% of Mg the Al-Mg-{beta} phase was detected through XRD.

  3. Enhancement of solar photocatalytic detoxification by adsorption of porphyrins onto TiO sub 2

    SciTech Connect (OSTI)

    Majumder, S.A.; Ondrias, M.R. . Dept. of Chemistry); Prairie, M.R. ); Shelnutt, J.A. . Dept. of Chemistry Sandia National Labs., Albuquerque, NM )

    1991-01-01

    Titanium dioxide (TiO{sub 2}) is a photocatalyst for solar detoxification of water containing organic contaminants such as solvents, PCB's, dioxins, pesticides, and dyes. Unfortunately, the ultraviolet (UV) energy used by TiO{sub 2} ({lambda}<400 nm) only comprises about 4% of the solar spectrum. One way of enhancing the efficiency of solar detoxification technologies is to utilize a larger portion of the solar spectrum to initiate the Tio{sub 2}- catalyzed detoxification chemistry. Metalloporphyrins strongly absorb visible and near infrared radiation. By utilization of a process called photosensitization, adsorption of these dyes onto TiO{sub 2} can enable a much broader portion of the solar spectrum to be used. Photosensitization relies upon the ability of the dye molecule to absorb more of the solar energy than bare TiO{sub 2} and to interact electronically with the TiO{sub 2} surface in such a way as to initiate TiO{sub 2}-based redox photochemistry using the dye-absorbed energy. 16 refs., 7 figs.

  4. Structural Environment of Nitrogen in N-doped Rutile TiO2(110)

    SciTech Connect (OSTI)

    Henderson, Michael A.; Shutthanandan, V.; Ohsawa, Takeo; Chambers, Scott A.

    2010-12-31

    We employ x-ray photoelectron spectroscopy (XPS), reflection high-energy electron diffraction (RHEED) and nuclear reaction analysis (NRA) to characterize the concentration-dependent structural properties of nitrogen doping into rutile TiO2. High quality N-doped TiO2 were prepared on rutile single crystal TiO2(110) substrates using plasma-assisted molecular beam epitaxy with an electron cyclotron resonance (ECR) plasma and Ti effusive sources. Films with N dopant concentrations at or below 2 at.% exhibited predominately substitutional doping based on NRA data, whereas films with concentrations above this limit resulted in little or no substitutional N and surfaces rich in Ti3+. The binding energy of the N 1s feature in XPS did not readily distinguish between these two extremes in N-doping, rendering features within 0.4 eV of each other and similar peak profiles. Although widely used to characterize the state of N in anion-doped TiO2 materials, we find that XPS is unsuitable for this task.

  5. Production of Ni-Cr-Ti-natural fibres composite and investigation of mechanical properties

    SciTech Connect (OSTI)

    Pesmen, G.; Erol, A.

    2015-03-30

    Intermetallic materials such as Ni{sub 2}Ti, Cr{sub 2}Ti are among advanced technology materials that have outstanding mechanical and physical properties for high temperature applications. Especially creep resistance, low density and high hardness properties stand out in such intermetallics. The microstructure, mechanical properties of (%50Ni-%48Cr-%2Ti)-%10Naturel Fibres and (%64Ni-%32Cr-%4Ti)-%10Naturel Fibres powders were investigated using specimens produced by tube furnace sintering at 1000-1200-1400C temperature. A composite consisting of ternary additions, a metallic phase, Ti,Cr and Ni have been prepared under Ar shroud and then tube furnace sintered. XRD, SEM (Scanning Electron Microscope), were investigated to characterize the properties of the specimens. Experimental results carried out for composition (%64Ni-%32Cr-%4Ti)-%10Naturel at 1400C suggest that the best properties as 112.09HV and 5,422g/cm{sup 3} density were obtained at 1400C.

  6. WO3/TiO2 nanotube photoanodes for solar water splitting with simultaneous wastewater treatment.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Robinson, David B.

    2013-05-01

    Nanostructured WO3/TiO2 nanotubes with properties that enhance solar photoconversion reactions were developed, characterized and tested. The TiO2 nanotubes were prepared by anodization of Ti foil, and WO3 was electrodeposited on top of the nanotubes. SEM images show that these materials have the same ordered structure as TiO2 nanotubes, with an external nanostructured WO3 layer. Diffuse reflectance spectra showed an increase in the visible absorption relative to bare TiO2 nanotubes, and in the UV absorption relative to bare WO3 films. Incident simulated solar photon-to-current efficiency increased from 30% (for bare WO3) to 50% (for WO3/TiO2 composites). With the addition of diverse organic pollutants, the photocurrent densities exhibited more than a 5-fold increase. Chemical oxygen demand measurements showed the simultaneous photodegradation of organic pollutants. The results of this work indicate that the unique structure and composition of these composite materials enhance the charge carrier transport and optical properties compared with the parent materials.

  7. DOE-NA-STD-3016-2006 | Department of Energy

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

    NA-STD-3016-2006 DOE-NA-STD-3016-2006 May 19, 2006 Hazard Analysis Reports for Nuclear Explosive Operations The purpose of this technical standard is to clarify DOE/NNSA expectations and to provide guidance for preparing HARs for NEOs. The general requirements for operation-specific HARs are those contained in Chapters 2-5 of DOE-STD-3009-94, Change Notice 2, "Preparation Guide for U.S. Department of Energy Nonreactor Nuclear Facility Documented Safety Analysis", or superseding

  8. 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.

  9. Supersaturated Al(Ti) solid solutions with partial L1{sub 2} ordering prepared by mechanical alloying

    SciTech Connect (OSTI)

    Fan, G.J.; Quan, M.X.; Hu, Z.Q.

    1995-08-01

    The authors report phase formation during mechanical alloying of Al rich Ti-Al powder blends. Their experimental results further support the idea that the synthesis of Al rich supersaturated solid solutions in the Al-Ti system occurs in the following two steps. First, the ordered L1{sub 2}-Al{sub 3}Ti intermetallic compound is formed at Al/Ti interfaces. Second, the ordered L1{sup 2}-Al{sub 3}Ti compound was partially disordered by mechanical deformation. Meanwhile, Ti or Al atoms dissolve into the partially disordered phase and a supersaturated solid solution is finally obtained. However, the disordering is not complete and the resulting alloys may exhibit partial L1{sub 2} ordering.

  10. Improving the osteointegration of Ti6Al4V by zeolite MFI coating

    SciTech Connect (OSTI)

    Li, Yong; Jiao, Yilai; Li, Xiaokang; Guo, Zheng

    2015-05-01

    Osteointegration is crucial for success in orthopedic implantation. In recent decades, there have been numerous studies aiming to modify titanium alloys, which are the most widely used materials in orthopedics. Zeolites are solid aluminosilicates whose application in the biomedical field has recently been explored. To this end, MFI zeolites have been developed as titanium alloy coatings and tested in vitro. Nevertheless, the effect of the MFI coating of biomaterials in vivo has not yet been addressed. The aim of the present work is to evaluate the effects of MFI-coated Ti6Al4V implants in vitro and in vivo. After surface modification, the surface was investigated using field emission scanning electron microscopy (FE-SEM) and energy dispersive spectroscopy (EDS). No difference was observed regarding the proliferation of MC3T3-E1 cells on the Ti6Al4V (Ti) and MFI-coated Ti6Al4V (M−Ti) (p > 0.05). However, the attachment of MC3T3-E1 cells was found to be better in the M−Ti group. Additionally, ALP staining and activity assays and quantitative real-time RT-PCR indicated that MC3T3-E1 cells grown on the M−Ti displayed high levels of osteogenic differentiation markers. Moreover, Van-Gieson staining of histological sections demonstrated that the MFI coating on Ti6Al4V scaffolds significantly enhanced osteointegration and promoted bone regeneration after implantation in rabbit femoral condylar defects at 4 and 12 weeks. Therefore, this study provides a method for modifying Ti6Al4V to achieve improved osteointegration and osteogenesis. - Highlights: • Osteointegration is a crucial factor for orthopedic implants. • We coated MFI zeolite on Ti6Al4V substrates and investigated the effects in vitro and in vivo. • The MFI coating displayed good biocompatibility and promoted osteogenic differentiation in vitro. • The MFI coating promoted osteointegration and osteogenesis peri-implant in vivo.

  11. Synthesis and characterization of F-N-W-codoped TiO{sub 2} photocatalyst with enhanced visible light response

    SciTech Connect (OSTI)

    Shi, Xiaoliang; School of Materials Science and Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070 ; Qin, Haibo; Yang, Xingyong; Zhang, Qiaoxin; School of Materials Science and Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? Anatase F-N-W-codoped TiO{sub 2} was prepared by a solgel-hydrothermal method. ? Under visible illumination, carbon removal rate of RB reached 94% using F-7NW-TiO{sub 2}. ? F, N and W dopants narrowed band gap and lowed charge pairs recombination rate. ? There were W{sub x}Ti{sub 1?x}O{sub 2}, O-Ti-N and valence variation of W ions existing. -- Abstract: Anatase F-N-W-codoped TiO{sub 2} photocatalyst was successfully prepared by a method combining solgel with hydrothermal treatment. Effects of F, N and W ion dosage concentration on the crystallinity, morphology, grain size and chemical status of the photocatalyst were investigated. The results showed that the F-7NW-TiO{sub 2} photocatalyst composed of uniform ellipsoidal particles around 20 nm in length and 10 nm in width, and the photocatalyst displayed enhanced visible-light absorption and photocatalytic activities. Using the photocatalyst and under visible irradiation for 1.5 h, the decoloration percent of RB and carbon removal rate were about 98% and 94% respectively, which were much higher than that of commercial P25, TiO{sub 2}, N-W-TiO{sub 2} and F-TiO{sub 2}. The high visible-light photocatalytic activity of F-7NW-TiO{sub 2} might result from narrowing the band gap and lowing charge pairs recombination rate for the W{sub x}Ti{sub 1?x}O{sub 2}, O-Ti-N and valence variation of W ions existing.

  12. NA 30 - Deputy Administrator for Naval Reactors | National Nuclear Security

    National Nuclear Security Administration (NNSA)

    Administration | (NNSA) 30 - Deputy Administrator for Naval Reactors NA 30 - Naval Reactors FY15 Year End Report Semi Annual Report FY14 Year End Report Semi Annual Report NX 3 - Naval Reactors Laboratory Field Office FY15 Year End

  13. Results from NA60 experiment at the CERN SPS

    SciTech Connect (OSTI)

    Usai, G.; Cicalo, C.; De Falco, A.; Floris, M.; Masoni, A.; Puddu, G.; Serci, S.; Arnaldi, R.; Colla, A.; Cortese, P.; Ferretti, A.; Oppedisano, C.; Averbeck, R.; Drees, A.; Banicz, K.; Castor, J.; Devaux, A.; Force, P.; Manso, F.; Chaurand, B.

    2006-07-11

    The NA60 experiment studies open charm and prompt dimuon production in proton-nucleus and nucleus-nucleus collisions at the CERN SPS. During 2003 the experiment collected data in Indium-Indium collisions at 158 GeV per nucleon. In this paper the first results on low mass dimuons, intermediate mass dimuons and J/{psi} suppression are presented.

  14. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, Xianghong; Peker, Atakan; Johnson, William L.

    1997-01-01

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM.sub.1-x Ti.sub.x).sub.a Cu.sub.b (Ni.sub.1-y Co.sub.y).sub.c wherein x is from 0.1 to 0.3, y.cndot.c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b.

  15. Fatigue crack growth behavior of Ti-1100 at elevated temperature

    SciTech Connect (OSTI)

    Maxwell, D.C.; Nicholas, T.

    1995-12-31

    Effects of temperature, frequency, and cycles with superimposed hold times are evaluated in Ti-1100 in order to study the complex creep-fatigue-environment interactions in this material. Crack growth rate tests conducted at cyclic loading frequency of 1.0 Hz show that raising the temperature from 593 to 650 C has only a slightly detrimental effect on crack growth rate, although these temperatures produce growth rates significantly higher than at room temperature. From constant {Delta}K tests, the effects of temperature at constant frequency show a minimum crack growth rate at 250 C. From the minimum crack growth rate at 250 C, the crack growth rate increases linearly with temperature. Increases in frequency at constant temperatures of 593 and 650 C produce a continuous decrease in growth rate in going from 0.001 to 1.0 Hz, although the behavior is primarily cycle dependent in this region. Tests at 1.0 Hz with superimposed hold times from 1 to 1,000 s are used to evaluate creep-fatigue-environment interactions. Hold times at maximum load are found to initially decrease and then increase the cyclic crack growth rate with increasing duration. This is attributed to crack-tip blunting during short hold times and environmental degradation at long hold times. Hold times at minimum load show no change in growth rates, indicating that there is no net environmental degradation to the bulk material beyond that experienced during the baseline 1 Hz cycling.

  16. Advancements in Ti Alloy Powder Production by Close-Coupled Gas Atomization

    SciTech Connect (OSTI)

    Heidloff, Andy; Rieken, Joel; Anderson, Iver; Byrd, David

    2011-04-01

    As the technology for titanium metal injection molding (Ti-MIM) becomes more readily available, efficient Ti alloy fine powder production methods are required. An update on a novel close-coupled gas atomization system has been given. Unique features of the melting apparatus are shown to have measurable effects on the efficiency and ability to fully melt within the induction skull melting system (ISM). The means to initiate the melt flow were also found to be dependent on melt apparatus. Starting oxygen contents of atomization feedstock are suggested based on oxygen pick up during the atomization and MIM processes and compared to a new ASTM specification. Forming of titanium by metal injection molding (Ti-MIM) has been extensively studied with regards to binders, particle shape, and size distribution and suitable de-binding methods have been discovered. As a result, the visibility of Ti-MIM has steadily increased as reviews of technology, acceptability, and availability have been released. In addition, new ASTM specification ASTM F2885-11 for Ti-MIM for biomedical implants was released in early 2011. As the general acceptance of Ti-MIM as a viable fabrication route increases, demand for economical production of high quality Ti alloy powder for the preparation of Ti-MIM feedstock correspondingly increases. The production of spherical powders from the liquid state has required extensive pre-processing into different shapes thereby increasing costs. This has prompted examination of Ti-MIM with non-spherical particle shape. These particles are produced by the hydride/de-hydride process and are equi-axed but fragmented and angular which is less than ideal. Current prices for MIM quality titanium powder range from $40-$220/kg. While it is ideal for the MIM process to utilize spherical powders within the size range of 0.5-20 {mu}m, titanium's high affinity for oxygen to date has prohibited the use of this powder size range. In order to meet oxygen requirements the top size

  17. 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.

  18. 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

  19. Reactivity Screening of Anatase TiO2 Nanotube Arrays and Anatase Thin Films: A Surface Chemistry Point of View

    SciTech Connect (OSTI)

    Funk, S.; Hokkanen, B.; Nurkic, T.; Goering, J.; Kadossov, E.; Burghaus, Uwe; Ghicov, A.; Schmuki, P.; Yu, Zhongqing; Thevuthasan, Suntharampillai; Saraf, Laxmikant V.

    2008-09-19

    As a reactivity screening we collected thermal desorption spectroscopy (TDS) data of iso-butane, O2, CO2, and CO adsorbed on ordered TiO2 nanotube (TiNTs) arrays. As a reference system iso-butane adsorption on an anatase TiO2 thin film has been considered as well. The as-grown TiNTs are vertically aligned and amorphous. Polycrystalline (poly.) anatase or poly. anatase/rutile mixed nanotubes are formed by annealing confirmed by x-ray diffraction (XRD) and scanning electron microscopy (SEM). The anatase thin film was grown on SrTiO3(001) and characterized by XRD and atomic force microscopy (AFM). Surprisingly, oxygen distinctly interacts with the TiNTs whereas this process is not observed on fully oxidized single crystal rutile TiO2(110). Desorption temperatures of 110-150 K and 100-120 K were observed for CO2 and CO, respectively, on the TiNTs. Variations in the binding energies of the alkanes on TiNTs and anatase thin films also were present, i.e., a structure-activity relationship (SAR) is evident.

  20. Synthesis and characterization of CdS doped TiO{sub 2} nanocrystalline powder: A spectroscopic study

    SciTech Connect (OSTI)

    Thakur, Priya; Chadha, Ridhima; Biswas, Nandita; Sarkar, Sisir K.; Mukherjee, Tulsi; Joshi, Satyawati S.; Kapoor, Sudhir

    2012-07-15

    Graphical abstract: Raman spectra of TiO{sub 2} sample doped with 50% CdS and annealed at 600 C. Highlights: ? Transformation from anatase to rutile is prohibited in doped TiO{sub 2}. ? FTIR study indicates that TiO{sub 2} lattice has been modified in the presence of CdS. ? Raman spectroscopy is found to be more sensitive as compared to XRD. -- Abstract: This report aimed to study the effect of CdS doping in TiO{sub 2} on the phase transformation of TiO{sub 2} from anatase to rutile using X-ray diffraction (XRD) and Raman spectroscopy. CdS-doped TiO{sub 2} nanocomposites have been prepared and characterized using Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). We have observed that contrary to bare TiO{sub 2}, phase transformation of TiO{sub 2} from anatase to rutile is hindered when doped with CdS at high temperature. Raman spectroscopy is found to be more sensitive for detection of the surface of TiO{sub 2} as compared to XRD.

  1. The electronic and optical properties of Eu/Si-codoped anatase TiO{sub 2} photocatalyst

    SciTech Connect (OSTI)

    Lin Yanming; Jiang Zhenyi; Zhang Xiaodong; Hu Xiaoyun; Fan Jun

    2012-03-05

    The electronic and optical properties of Eu/Si-codoped anatase TiO{sub 2} are investigated using the density functional theory. The calculated results show that the synergistic effects of Eu/Si codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatalytic activities than pure anatase TiO{sub 2}. To verify the reliability of our calculated results, nanocrystalline Eu/Si-codoped TiO{sub 2} is prepared by a sol-gel-solvothermal method, and the experimental results also indicate that the codoping sample exhibits better absorption performance and higher photocatalytic activities than pure TiO{sub 2}.

  2. The visible light degradation activity and the photocatalytic mechanism of tetra(4-carboxyphenyl) porphyrin sensitized TiO{sub 2}

    SciTech Connect (OSTI)

    Wang, Huigang; Zhou, Dongmei; Wu, Zhangzhu; Wan, Junmin; Zheng, Xuming; Yu, Lihong; Phillips, David Lee

    2014-09-15

    Highlights: Tetra(4-carboxyphenyl) porphyrin were chemically sensitized on TiO{sub 2}. S2S0 fluorescence intensity is enhanced and lifetime prolonged noticeably by TiO{sub 2}. The TCPP-TiO{sub 2} exhibits better photoactivity under visible light than that of TiO{sub 2}. The electronic relaxation dynamics is presented, catalytic mechanism is discussed. Adsorption and photo degradation of MB were systematically investigated. - Abstract: Tetra(4-carboxyphenyl) porphyrin(TCPP) were chemically sensitized on TiO{sub 2} to act as visible light antenna and to modify the photoresponse properties of TiO{sub 2} particles, their properties of photo-generated holes and electrons were studied by transient absorption spectroscopes. The time-correlated single-photon counting (TCSPC) technique revealed that the S2S0 fluorescence intensity of TCPP is enhanced noticeably by TiO{sub 2}, and the lifetime prolonged. Adsorption and photo degradation of methylene blue (MB) over TCPP-TiO{sub 2} were systematically investigated. Moreover the overall picture of electronic relaxation dynamics for TCPP-TiO{sub 2} is presented, and the detailed short-time dynamics for visible-light induced catalytic mechanism was discussed. The development of the porphyrin-based photocatalyst provides an alternative approach in harnessing solar visible light and show promising prospect for the treatment of dye pollutants from wastewaters in future industrial application.

  3. A study of photocatalytic grapheneTiO{sub 2} synthesis via peroxo titanic acid refluxed sol

    SciTech Connect (OSTI)

    Low, Wasu; Boonamnuayvitaya, Virote

    2013-08-01

    Graphical abstract: - Highlights: TiO{sub 2} synthesized via PTA as a precursor demonstrates exclusively anatase phase. The TEM image of GRTiO{sub 2} (PTA) demonstrates that TiO{sub 2} nanoparticles are successfully loaded onto graphene sheet. The specific surface area seems to increase with increasing weight ratio of graphene oxide. It was observed that GRTiO{sub 2} showed higher adsorption compared to bare TiO{sub 2} (PTA). The GRTiO{sub 2} (PTA, 1:50) catalyst showed higher photocatalytic activity than any other catalyst. - Abstract: In the present work, grapheneTiO{sub 2} (GRTiO{sub 2}) photocatalyst with various weight ratios of graphene was synthesized using peroxo titanic acid solution (PTA) as a precursor for TiO{sub 2}. Graphene oxide prepared by Hummer's method was converted to graphene under ultraviolet (UV) irradiation in ethanolwater solvent for 48 h. The as-prepared GRTiO{sub 2} composites were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, UVvis spectrophotometry, and transmission electron microscopy (TEM). The automated potentiostat was applied to measure the photocurrent generations of prepared catalysts. The photocatalytic activities of GRTiO{sub 2} (PTA) catalysts were determined by measuring the percentage methylene blue (MB) degradation. The results showed that TiO{sub 2} nanoparticles were successfully loaded onto graphene sheet and the surface area of catalysts increased with increasing weight ratio of graphene. In addition, GRTiO{sub 2} (PTA, 1:50) exhibited the highest photocatalytic activity among the catalysts under UV and visible light irradiation. The adsorption edge of GRTiO{sub 2} was shifted to a longer wavelength of 400 nm in comparison with that of pure TiO{sub 2} (PTA). The increase in the photocatalytic performance of GRTiO{sub 2} (PTA) catalyst may be attributed to the increase in surface area, the extension of light absorption in the visible light region, and

  4. A New Method of Low Cost Production of Ti Alloys to Reduce Energy Cpnsumption of Mechanical Systems

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

    Zak Fang, PI, University of Utah, U.S. DOE Advanced Manufacturing Office Peer Review Meeting Washington, D.C. May 6-7, 2014 This presentation does not contain any proprietary, confidential, or otherwise restricted information. Project Objective  Develop a novel low cost method for manufacturing Ti  Demonstrate the mechanical properties of Ti using the new method to be equivalent to that of wrought Ti at a fraction of its cost.  Demonstrate advantages of using Ti (by this technology) in

  5. The study of crack resistance of TiAlN coatings under mechanical loading and thermal cycle testing

    SciTech Connect (OSTI)

    Akulinkin, Alexandr Shugurov, Artur Sergeev, Viktor; Panin, Alexey; Cheng, C.-H.

    2015-10-27

    The effect of preliminary ion bombardment of 321 stainless steel substrate on crack resistance of TiAlN coatings at uniaxial tension and thermal cycling is studied. The ion-beam treatment of the substrate is shown to substantially improve the adhesion strength of the coatings that prevents their delamination and spalling under uniaxial tension. The resistance to crack propagation and spalling by the thermal shock is higher in the TiAlN coating deposited onto the substrate subjected to Ti ion bombardment as compared to that in the TiAlN coating deposited onto the initial substrate.

  6. Structure of epitaxial (Fe,N) codoped rutile TiO2 thin films by x-ray absorption

    SciTech Connect (OSTI)

    Kaspar, Tiffany C.; Ney, A.; Mangham, Andrew N.; Heald, Steve M.; Joly, Yves; Ney, V.; Wilhelm, F.; Rogalev, A.; Yakou, Flora; Chambers, Scott A.

    2012-07-23

    Homoepitaxial thin films of Fe:TiO2 and (Fe,N):TiO2 were deposited on rutile(110) by molecular beam epitaxy. X-ray absorption near edge spectroscopy (XANES) spectra were collected at the Ti L-edge, Fe L-edge, O K-edge, N K-edge, and Ti K-edge. No evidence of structural disorder associated with a high concentration of oxygen vacancies is observed. Substitution of Fe for Ti could not be confirmed, although secondary phase Fe2O3 and metallic Fe can be ruled out. The similarity of the N K-edge spectra to O, and the presence of a strong x-ray linear dichroism (XLD) signal for the N K-edge, indicates that N is substitutional for O in the rutile lattice, and is not present as a secondary phase such as TiN. Simulations of the XANES spectra qualitatively confirm substitution, although N appears to be present in more than one local environment. Neither Fe:TiO2 nor (Fe,N):TiO2 exhibit intrinsic room temperature ferromagnetism, despite the presence of mixed valence Fe(II)/Fe(III) in the reduced (Fe,N):TiO2 film.

  7. Micro- and nano-scale hollow TiO{sub 2} fibers by coaxial electrospinning: Preparation and gas sensing

    SciTech Connect (OSTI)

    Zhang Jin; Choi, Sun-Woo; Kim, Sang Sub

    2011-11-15

    We report the preparation of micro- and nano-scale hollow TiO{sub 2} fibers using a coaxial electrospinning technique and their gas sensing properties in terms of CO. The diameter of hollow TiO{sub 2} fibers can be controlled from 200 nm to several micrometers by changing the viscosity of electrospinning solutions. Lower viscosities produce slim hollow nanofibers. In contrast, fat hollow microfibers are obtained in the case of higher viscosities. A simple mathematical expression is presented to predict the change in diameter of hollow TiO{sub 2} fibers as a function of viscosity. The successful control over the diameter of hollow TiO{sub 2} fibers is expected to bring extensive applications. To test a potential use of hollow TiO{sub 2} fibers in chemical gas sensors, their sensing properties to CO are investigated at room temperature. - Graphical abstract: Microstructures of as-prepared and calcined hollow TiO{sub 2} fibers prepared by the electrospinning technique with a coaxial needle. Dynamic response at various CO concentrations for the sensor fabricated with the hollow TiO{sub 2} fibers. Highlights: > Hollow TiO{sub 2} fibers were synthesized using a coaxial electrospinning technique. > Their diameter can be controlled by changing the viscosity of electrospinning solutions. > Lower viscosities produce slim hollow nanofibers. > In contrast, fat hollow microfibers are obtained in the case of higher viscosities. > Successful control over the diameter of hollow TiO{sub 2} fibers will bring extensive applications.

  8. Synthesis and characterization of zinc doped nano TiO{sub 2} for efficient photocatalytic degradation of Eriochrome Black T

    SciTech Connect (OSTI)

    Singla, Pooja; Singh, Kulvir; Pandey, O. P.; Sharma, Manoj

    2013-06-03

    Sol-gel method was used to synthesize undoped and zinc doped TiO{sub 2} with varied dopant concentrations using titanium tetraisopropoxide and zinc acetate as precursors. The synthesized catalyst samples were characterized by various techniques such as X-ray powder diffraction (XRD), UV-vis diffuse reflectance (DRS). The photocatalytic activity was determined by means of degradation of azo dye Eriochrome Black T. The results revealed that Zn doped TiO{sub 2} nanoparticles exhibited better results as compared to undoped TiO{sub 2} nanoparticles. Zn doped TiO{sub 2} (0.7mol %) nanoparticles exhibited the highest photocatalytic activity.

  9. Thermal conductivity of nitride films of Ti, Cr, and W deposited by reactive magnetron sputtering

    SciTech Connect (OSTI)

    Jagannadham, Kasichainula

    2015-05-15

    Nitride films of Ti, Cr, and W were deposited using reactive magnetron sputtering from metal targets in argon and nitrogen plasma. TiN films with (200) orientation were achieved on silicon (100) at the substrate temperature of 500 and 600?C. The films were polycrystalline at lower temperature. An amorphous interface layer was observed between the TiN film and Si wafer deposited at 600?C. TiN film deposited at 600?C showed the nitrogen to Ti ratio to be near unity, but films deposited at lower temperature were nitrogen deficient. CrN film with (200) orientation and good stoichiometry was achieved at 600?C on Si(111) wafer but the film deposited at 500?C showed cubic CrN and hexagonal Cr{sub 2}N phases with smaller grain size and amorphous back ground in the x-ray diffraction pattern. An amorphous interface layer was not observed in the cubic CrN film on Si(111) deposited at 600?C. Nitride film of tungsten deposited at 600?C on Si(100) wafer was nitrogen deficient, contained both cubic W{sub 2}N and hexagonal WN phases with smaller grain size. Nitride films of tungsten deposited at 500?C were nonstoichiometric and contained cubic W{sub 2}N and unreacted W phases. There was no amorphous phase formed along the interface for the tungsten nitride film deposited at 600?C on the Si wafer. Thermal conductivity and interface thermal conductance of all the nitride films of Ti, Cr, and W were determined by transient thermoreflectance technique. The thermal conductivity of the films as function of deposition temperature, microstructure, nitrogen stoichiometry and amorphous interaction layer at the interface was determined. Tungsten nitride film containing both cubic and hexagonal phases was found to exhibit much higher thermal conductivity and interface thermal conductance. The amorphous interface layer was found to reduce effective thermal conductivity of TiN and CrN films.

  10. Efficient H{sub 2} production over Au/graphene/TiO{sub 2} induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2}

    SciTech Connect (OSTI)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-11-15

    Highlights: Both surface plasmon resonance and band-gap excitation were used for H{sub 2} production. Au/Gr/TiO{sub 2} composite photocatalyst was synthesized. Au/Gr/TiO{sub 2} exhibited enhancement of light absorption and charge separation. H{sub 2} production rate of Au/Gr/TiO{sub 2} was about 2 times as high as that of Au/TiO{sub 2}. - Abstract: H{sub 2} production over Au/Gr/TiO{sub 2} composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2} using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO{sub 2} with band-gap excitation. Surface photovoltage and UVvis absorption measurements revealed that compared with Au/TiO{sub 2}, Au/Gr/TiO{sub 2} displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H{sub 2} production rate of Au/Gr/TiO{sub 2} composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO{sub 2}. This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy.

  11. Microstructure and tribological performance of nanocomposite Ti-Si-C-N coatings deposited using hexamethyldisilazane precursor

    SciTech Connect (OSTI)

    Wei Ronghua; Rincon, Christopher; Langa, Edward; Yang Qi

    2010-09-15

    Thick nanocomposite Ti-Si-C-N coatings (20-30 {mu}m) were deposited on Ti-6Al-4V substrate by magnetron sputtering of Ti in a gas mixture of Ar, N{sub 2}, and hexamethyldisilazane (HMDSN) under various deposition conditions. Microstructure and composition of the coatings were studied using scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray spectroscopy, while the mechanical and tribological properties of these coatings were studied using Rc indentation, and micro- and nanoindentations, solid particle erosion testing, and ball-on-disk wear testing. It has been observed that the Si concentration of these coatings is varied from 0% (TiN) to 15% (Ti-Si-C-N), while the structure of these coatings is similar to the nanocomposite Ti-Si-N coatings and consists of nanocrystalline B1 structured Ti(C,N) in an amorphous matrix of SiC{sub x}N{sub y} with the grain size of 5->100 nm, depending on the coating preparation process. These coatings exhibit excellent adhesion when subjected to Rc indentation tests. The microhardness of these coatings varies from 1200 to 3400 HV25, while the nanohardness varies from 10 to 26 GPa. Both the microhardness and nanohardness are slightly lower than those of similar coatings prepared using trimethylsilane. However, the erosion test using a microsand erosion tester at both 30 deg. and 90 deg. incident angles shows that these coatings have very high erosion resistance and up to a few hundred times of improvement has been observed. These coatings also exhibit very high resistance to sliding wear with a low coefficient of friction of about 0.2 in dry sliding. There are a few advantages of using the HMDSN precursor to prepare the Ti-Si-C-N coatings over conventional magnetron sputtered deposition of Ti-Si-N coatings including composition uniformity, precursor handling safety, and high deposition rate. The coatings can be applied to protect gas turbine compressor blades from solid particle erosion and steam turbine blades

  12. Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 Citation Details In-Document Search Title: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 ...

  13. Analysis of a graphite foam-NaCl latent heat storage system for...

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

    Analysis of a graphite foam-NaCl latent heat storage system for supercritical CO2 power cycles for concentrated solar power Title Analysis of a graphite foam-NaCl latent heat...

  14. Electronic structure and magnetic properties of NaOsO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electronic structure and magnetic properties of NaOsO3 Title: Electronic structure and magnetic properties of NaOsO3 Authors: Du, Yongping ; Wan, Xiangang ; Sheng, Li ; Dong, ...

  15. Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 Citation Details In-Document Search Title: Nuclear Design of Fissile Pu and HEU LIFE Engine - NA22 You ...

  16. Impact of Biodiesel-based Na on the Selective Catalytic Reduction...

    Office of Scientific and Technical Information (OSTI)

    of Biodiesel-based Na on the Selective Catalytic Reduction of NOx by NH3 Over Cu-zeolite Catalysts Citation Details In-Document Search Title: Impact of Biodiesel-based Na on the ...

  17. Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz...

    Office of Scientific and Technical Information (OSTI)

    Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz mixed metal oxides Citation Details In-Document Search Title: Conversion of ethanol to 1,3-butadiene over Na doped ...

  18. Deformation and fracture behavior of composite structured Ti-Nb-Al-Co(-Ni) alloys

    SciTech Connect (OSTI)

    Okulov, I. V. Marr, T.; Schultz, L.; Eckert, J.; Khn, U.; Freudenberger, J.; Oertel, C.-G.; Skrotzki, W.

    2014-02-17

    Tensile ductility of the Ti-based composites, which consist of a ?-Ti phase surrounded by ultrafine structured intermetallics, is tunable through the control of intermetallics. The two Ti-based alloys studied exhibit similar compressive yield strength (about 1000?MPa) and strain (about 35%40%) but show a distinct difference in their tensile plasticity. The alloy Ti{sub 71.8}Nb{sub 14.1}Ni{sub 7.4}Al{sub 6.7} fractures at the yield stress while the alloy Ti{sub 71.8}Nb{sub 14.1}Co{sub 7.4}Al{sub 6.7} exhibits about 4.5% of tensile plastic deformation. To clarify the effect of microstructure on the deformation behavior of these alloys, tensile tests were carried out in the scanning electron microscope. It is shown that the distribution as well as the type of intermetallics affects the tensile ductility of the alloys.

  19. Coreshell TiO? microsphere with enhanced photocatalytic activity and improved lithium storage

    SciTech Connect (OSTI)

    Guo, Hong; Tian, Dongxue; Liu, Lixiang; Wang, Yapeng; Guo, Yuan; Yang, Xiangjun

    2013-05-01

    Inorganic hollow coreshell spheres have attracted considerable interest due to their singular properties and wide range of potential applications. Herein a novel facile generic strategy of combining template assisted and solvothermal alcoholysis is employed to prepare corevoidshell anatase TiO? nanoparticle aggregates with an excellent photocatalytic activity, and enhanced lithium storage in large quantities. Amorphous carbon can be loaded on the TiO? nanoparticles uniformly under a suitably formulated ethanol/water system in the solvothermal alcoholysis process, and the subsequent calcination results of the formation of coreshellshell anatase TiO? nanoparticle aggregates. The intrinsic corevoidshell nature as well as high porosity of the unique nanostructures contributes greatly to the superior photocatalytic activity and improved performance as anode materials for lithium ion batteries. - Graphical abstract: A novel strategy of combining template assisted and solvothermal alcoholysis is employed to prepare unique corevoidshell anatase TiO? nanoparticle aggregates with the superior photocatalytic activity and improved lithium storage. Highlights: TiO? mesospheres are synthesized by solvothermal alcoholysis. It is corevoidshell structure and the thickness of shell is estimated to 80 nm. It exhibits a remarkable photocatalytic activity and improved lithium storage.

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

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

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

    2006-01-01

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

  1. Synthesis and Characterization of PhotocatalyticTiO2-ZnFe2O4Nanoparticles

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

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

    2006-01-01

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

  2. Significant increase of Curie temperature in nano-scale BaTiO{sub 3}

    SciTech Connect (OSTI)

    Li, Yueliang; Liao, Zhenyu; Fang, Fang; Zhu, Jing; Wang, Xiaohui; Li, Longtu

    2014-11-03

    The low Curie temperature (T{sub c}?=?130?C) of bulk BaTiO{sub 3} greatly limits its applications. In this work, the phase structures of BaTiO{sub 3} nanoparticles with sizes ranging from 2.5?nm to 10?nm were studied at various temperatures by using aberration-corrected transmission electron microscopy (TEM) equipped with an in-situ heating holder. The results implied that each BaTiO{sub 3} nanoparticle was composed of different phases, and the ferroelectric ones were observed in the shells due to the complicated surface structure. The ferroelectric phases in BaTiO{sub 3} nanoparticles remained at 600?C, suggesting a significant increase of T{sub c}. Based on the in-situ TEM results and the data reported by others, temperature-size phase diagrams for BaTiO{sub 3} particles and ceramics were proposed, showing that the phase transition became diffused and the T{sub c} obviously increased with decreasing size. The present work sheds light on the design and fabrication of advanced devices for high temperature applications.

  3. 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.

  4. 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.

  5. A new phase in rapidly solidified Ti[sub 3]Al-based alloys

    SciTech Connect (OSTI)

    Xu Rui; Xu Daming; Li Qingchun . Dept. of Materials Science and Engineering); Li Dong; Cui Yuyou; Hu Zhuangqi . State Key Lab. for RSA)

    1995-01-15

    Rapid solidification processing has been developed to improve the properties of alloys through refining microstructures, disordering and forming metastable phases. The as-melt spun Ti[sub 3]Al-based alloy with Nb additions above 5-at%, which consist of [alpha][sub 2] and [beta][sub 0] phases in a normal condition, exhibited as single [beta][sub 0] structure. Jackson et al have carried out a comparative study of I/M and RS Ti[sub 3]Al-1 Zr(at%) alloy. Their study revealed that considerable refinement of grains and anti-phase domains was achieved in the rapidly solidified material prepared by the pendant drop melt extraction process (PDME). It is suggested that rapid solidification processing can reduce the ordering of the Ti[sub 3]Al-based alloy. In the past years, it was found that the Ti[sub 3]Al-based alloy with alloying additions (mainly Nb) has been studied extensively, and some new phases such as T and O have been observed in the alloys, but less attention has been given to alloys with low Nb additions. The RS Ti[sub 3]Al-base alloys with Nb below 5-at% have been investigated systematically and a new metastable phase, ordering martensite [alpha][double prime][sub 0] (orthogonal), has been observed in these alloys.

  6. Investigation of the phase equilibrium of alloys of the ternary system Ti-Al-Nb

    SciTech Connect (OSTI)

    Nartova, T.T.; Sopochkin, G.G.

    1987-09-09

    This investigation of the constitution diagram of the ternary system titanium-aluminum-niobium is limited to the specific system Ti-Ti3A1-Nb in order to establish the regions of the alpha and beta solid solutions of titanium, the solid solutions based on aluminide Ti3A1, and the phases conjugated with them. The constitution diagram of the systems Ti-A1 and Ti-Nb obtained from the data were used as the basis for constructing the constitution diagram of the ternary system. The methods of microstructural, thermal and X ray phase analysis were used in the study. The X ray pictures were taken in copper emission from powders that had been preliminarily annealed in a vacuum at 600 for 30 min. Iodic titanium, aluminum brand AV-000 and fillet niobium were used as the source materials. The alloys were remelted five times in an electric-arc furnace with a nonconsumable tungsten electrode in an argon atmosphere, and then by crucibleless melting in the suspended state. The constancy of the chemical composition of the alloys was monitored by their weight after smelting in an electric arc furnace.

  7. Crystallization study of amorphous sputtered NiTi bi-layer thin film

    SciTech Connect (OSTI)

    Mohri, Maryam; Nili-Ahmadabadi, Mahmoud; Chakravadhanula, Venkata Sai Kiran

    2015-05-15

    The crystallization of Ni-rich/NiTiCu bi-layer thin film deposited by magnetron sputtering from two separate alloy targets was investigated. To achieve the shape memory effect, the NiTi thin films deposited at room temperature with amorphous structure were annealed at 773 K for 15, 30, and 60 min for crystallization. Characterization of the films was carried out by differential scanning calorimetry to indicate the crystallization temperature, grazing incidence X-ray diffraction to identify the phase structures, atomic force microscopy to evaluate surface morphology, scanning transmission electron microscopy to study the cross section of the thin films. The results show that the structure of the annealed thin films strongly depends on the temperature and time of the annealing. Crystalline grains nucleated first at the surface and then grew inward to form columnar grains. Furthermore, the crystallization behavior was markedly affected by composition variations. - Highlights: • A developed bi-layer Ni45TiCu5/Ni50.8Ti was deposited on Si substrate and crystallized. • During crystallization, The Ni{sub 45}TiCu{sub 5} layer is thermally less stable than the Ni-rich layer. • The activation energy is 302 and 464 kJ/mol for Cu-rich and Ni-rich layer in bi-layer, respectively.

  8. 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)

  9. Localized states induced by an oxygen vacancy in rutile TiO{sub 2}

    SciTech Connect (OSTI)

    Lin, Chungwei; Shin, Donghan; Demkov, Alexander A.

    2015-06-14

    Using density functional theory and model Hamiltonian analysis, we investigate the localized states induced by an oxygen vacancy in rutile TiO{sub 2}. We identify two classes of localized states—the hybrid and the polaron. The hybrid state is caused by the orbital overlap between three Ti atoms next to a vacancy and is mainly derived from the Ti e{sub g} orbitals. The polaron state is caused by the local lattice distortion and is mainly composed of one particular t{sub 2g} orbital from a single Ti atom. The first principles calculation shows that the polaron state is energetically favored, and the tight-binding analysis reveals the underlying connection between the bulk band structure and the orbital character of the polaron. The magnetic coupling between two nearby polaron states is found to be ferromagnetic. Using this picture, we analyze the results of recent theoretical calculations and experiments and discuss the connection to vacancies in SrTiO{sub 3}.

  10. 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

  11. Study of new states in visible light active W, N co-doped TiO{sub 2} photo catalyst

    SciTech Connect (OSTI)

    Sajjad, Ahmed Khan Leghari; Shamaila, Sajjad; Zhang, Jinlong

    2012-11-15

    Highlights: ? Visible light efficient W, N co-doped TiO{sub 2} photo catalysts are prepared by solgel. ? Oxygen vacancies are detected in the form of new linkages as N-Ti-O, N-W-O, Ti-O-N and W-O-N. ? W, N co-doped titania has new energy states which narrows the band gap effectively. ? Oxygen vacancies are proved to be the cause for high photo catalytic activity. ? W and N co-doping plays the major role to make the composite thermally stable. -- Abstract: The visible light efficient W, N co-doped TiO{sub 2} photo catalysts are prepared by solgel method. New linkages of N, W and O are formed as N-Ti-O, N-W-O, Ti-O-N and W-O-N. Electron paramagnetic resonance illustrates the presence of oxygen vacancies in W, N co-doped TiO{sub 2} acting as trapping agencies for electrons to produce active species. X-ray photoelectron spectroscopy confirms the presence of new energy states. New linkages and oxygen vacancies are proved to be the main cause for the improved photo catalytic performances. W, N co-doped TiO{sub 2} has new energy states which narrow the band gap effectively. W, N co-doped TiO{sub 2} is thermally stable and retains its anatase phase up to 900 C. 4.5% W, N co-doped TiO{sub 2} showed superior activity for the degradation of Rhodamine B and 2,4-dichlorophenol as compared to pure titania, Degussa P-25, traditional N-doped TiO{sub 2} and pure WO{sub 3}.

  12. Dielectric and photocatalytic properties of sulfur doped TiO{sub 2} nanoparticles prepared by ball milling

    SciTech Connect (OSTI)

    Jalalah, Mohammed; Faisal, M.; Bouzid, Houcine; Ismail, Adel A.; Al-Sayari, Saleh A.

    2013-09-01

    Graphical abstract: - Highlights: Designing of visible light responsive photocatalyst utilizing ball milling. Sulphur used as dopant in commercial TiO{sub 2} P25 at different atomic percentage. S doping resulted in an intense increase in absorption in the visible light region. Newly design photocatalyst exhibited excellent photocatalytic performance. 0.11 at.% S-doped TiO{sub 2} shows 3-times higher activity than that of TiO{sub 2} P25. - Abstract: Sulfur (S) doped commercial TiO{sub 2} P-25 has been achieved by changing the amount of thiourea using ball milling technique. The results of XRD clearly reveal biphasial anatase and rutile mixtures for all prepared samples and doping of S does not change the morphology of the TiO{sub 2}. The optical absorption edge of S-doped TiO{sub 2} was red shifted with indirect bandgap energy of 2.8 eV. The dielectric studies confirm that the dielectric constant of TiO{sub 2} increases after doping, however it becomes more conductive. Newly designed S-doped TiO{sub 2} photocatalysts exhibited excellent photocatalytic performance for the degradation of methylene blue (MB) under visible light. The overall photocatalytic activity of 0.11 at.% S-doped TiO{sub 2} was significantly 3-times higher than that of commercial TiO{sub 2} P-25 and complete degradation of MB has taken place after 90 min of irradiation under visible light while only 35% dye degraded when the reaction has been carried out in the presence of undoped TiO{sub 2}.

  13. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, X.; Peker, A.; Johnson, W.L.

    1997-04-08

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10{sup 3} K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM{sub 1{minus}x}Ti{sub x}){sub a} Cu{sub b} (Ni{sub 1{minus}y}Co{sub y}){sub c} wherein x is from 0.1 to 0.3, y{center_dot}c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b. 2 figs.

  14. Caustic Recycle from Hanford Tank Waste Using Large Area NaSICON Structures (LANS)

    SciTech Connect (OSTI)

    Fountain, Matthew S.; Sevigny, Gary J.; Balagopal, S.; Bhavaraju, S.

    2009-03-31

    This report presents the results of a 5-day test of an electrochemical bench-scale apparatus using a proprietary (NAS-GY) material formulation of a (Na) Super Ion Conductor (NaSICON) membrane in a Large Area NaSICON Structures (LANS) configuration. The primary objectives of this work were to assess system performance, membrane seal integrity, and material degradation while removing Na from Group 5 and 6 tank waste from the Hanford Site.

  15. Enhanced photocatalytic activity of TiO{sub 2} nanobarbed fibers treated with atmospheric pressure plasma using O{sub 2} gas

    SciTech Connect (OSTI)

    Lee, Hyun-Uk; Ahn, Kyun; Jeong, Se-Young; Cho, Chae-Ryong; Kim, Jong-Pil; Bae, Jong-Seong; Kim, Hyun-Gyu; Kwon, Se-Hun; Lee, Hyung Woo

    2010-11-29

    TiO{sub 2} nanobarbed fibers (NBFs) were prepared by growing rutile TiO{sub 2} nanorods on anatase TiO{sub 2} nanofibers via electrospinning and hydrothermal reaction processes. There was a large increase in the photocatalytic activity of O{sub 2}-plasma-treated (OP)-TiO{sub 2} NBFs relative to that of the TiO{sub 2} NBFs; this is due to the hydroxylation of the surface of the TiO{sub 2} NBFs by OP treatment. The repeatability of the photocatalytic activity of the OP-TiO{sub 2} NBFs was found to be high and the decolorization rate after ten cycles was 88.3% of the initial value. These results indicate that OP-TiO{sub 2} NBFs have great potential for use as a photocatalyst.

  16. APPENDIXN DE-NA0000622 LIST OF APPLICABLE DIRECTIVES

    National Nuclear Security Administration (NNSA)

    .I APPENDIXN DE-NA0000622 LIST OF APPLICABLE DIRECTIVES 09/17/2014 Directive Directive Title 10 CFR 824, Current Rule Procedural Rules for the Assessment of Civil Penalties for Classified Information Security Violations 1 O CFR 830 - Current Rule Nuclear Safety Management 1 O CFR 851 - Current Rule Worker Safety and Health Program ANSI B30.11 Monorails and Underhung Hoists ANSI N323A Radiation Protection Instrumentation Test and Calibration Portable Survey Instrumentation, 1997 ANSI N43.2

  17. Ab initio study of structural stability and electronic properties of Ti{sub 1-x}Mg{sub x}Cr{sub 2} and TiMg{sub x}Cr{sub 2-x} laves phase

    SciTech Connect (OSTI)

    Sari, A. Merad, G.

    2015-03-30

    The structural stability and electronic properties of TiMgCr{sub 2} laves phase have been calculated and compared. It is found that Mg prefer to substitutes titanium than chromium. The values of entalpies of formation show that Ti{sub 1-x}Mg{sub x}Cr{sub 2} may exist for only one concentration x=0.125 and the more favorable alloy is Ti{sub 0.875}Mg{sub 0.125}Cr{sub 2}. For TiCr{sub 2}, the optimized structural parameters were in good agreement with experimental values, while for TiMgCr{sub 2}, there is not experimental data. The electronic densities of states (DOS) are given and the nature of bonds are also discussed.

  18. Thermoelectricity of Nanocomposites Containing TiO2CoO Coaxial Nanocables

    SciTech Connect (OSTI)

    Su, L.; Zhang, L.; Gana, Y.X.

    2011-04-01

    TiO{sub 2}-CoO coaxial nanocables were deposited into anodic aluminum oxide (AAO) nanoporous templates to form nanocomposite materials. Electron microscopic analysis was conducted to reveal their structures. Seebeck coefficients of the composites were measured. The highest absolute value of Seebeck coefficient is 393 {micro}V K{sup -1} for the TiO{sub 2} nanotube-filled AAO. The TiO{sub 2}-CoO coaxial nanocable-filled AAO has a lower absolute value of 300 {micro}V K{sup -1}. Both composites showed n-type behavior. The effect of Ag nanoparticles addition on the thermoelectric behavior was also examined.

  19. Molecular beam epitaxy of SrTiO{sub 3} with a growth window

    SciTech Connect (OSTI)

    Jalan, Bharat; Moetakef, Pouya; Stemmer, Susanne

    2009-07-20

    Many complex oxides with only nonvolatile constituents do not have a wide growth window in conventional molecular beam epitaxy (MBE) approaches, which makes it difficult to obtain stoichiometric films. Here it is shown that a growth window in which the stoichiometry is self-regulating can be achieved for SrTiO{sub 3} films by using a hybrid MBE approach that uses a volatile metal-organic source for Ti, titanium tetra isopropoxide (TTIP). The growth window widens and shifts to higher TTIP/Sr flux ratios with increasing temperature, showing that it is related to the desorption of the volatile TTIP. We demonstrate stoichiometric, highly perfect, insulating SrTiO{sub 3} films. The approach can be adapted for the growth of other complex oxides that previously were believed to have no wide MBE growth window.

  20. In situ nanoindentation study of plastic Co-deformation in Al-TiN nanocomposites

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

    Li, N.; Wang, H.; Misra, A.; Wang, J.

    2014-10-16

    We performed in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm, 5 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with easy initiation of cracks in the TiN layers. At 5 nm and below, cracking in TiN was suppressed and post mortem measurements indicated a reduction in layer thickness in both layers. Our results demonstrate the profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers.

  1. Microstructural evaluation of NiTi-based films deposited by magnetron sputtering

    SciTech Connect (OSTI)

    Crăciunescu, Corneliu M. Mitelea, Ion Budău, Victor; Ercuţa, Aurel

    2014-11-24

    Shape memory alloy films belonging to the NiTi-based systems were deposited on heated and unheated substrates, by magnetron sputtering in a custom made system, and their structure and composition was analyzed using electron microscopy. Several substrates were used for the depositions: glass, Cu-Zn-Al, Cu-Al-Ni and Ti-NiCu shape memory alloy ribbons and kapton. The composition of the Ti-Ni-Cu films showed limited differences, compared to the one of the target and the microstructure for the DC magnetron sputtering revealed crystallized structure with features determined on peel off samples from a Si wafer. Both inter and transcrystalline fractures were observed and related to the interfacial stress developed on cooling from deposition temperature.

  2. Dielectric response of metal/SrTiO{sub 3}/two-dimensional electron liquid heterostructures

    SciTech Connect (OSTI)

    Mikheev, Evgeny; Raghavan, Santosh; Stemmer, Susanne

    2015-08-17

    Maximizing the effective dielectric constant of the gate dielectric stack is important for electrostatically controlling high carrier densities inherent to strongly correlated materials. SrTiO{sub 3} is uniquely suited for this purpose, given its extremely high dielectric constant, which can reach 10{sup 4}. Here, we present a systematic study of the thickness dependence of the dielectric response and leakage of SrTiO{sub 3} that is incorporated into a vertical structure on a high-carrier-density two-dimensional electron liquid (2DEL). A simple model can be used to interpret the data. The results show a need for improved interface control in the design of metal/SrTiO{sub 3}/2DEL devices.

  3. Microstructure evolution in solution treated Ti15Mo alloy processed by high pressure torsion

    SciTech Connect (OSTI)

    Jane?ek, Milo; ?ek, Jakub; Strsk, Josef; Vclavov, Kristna; Hruka, Petr; Polyakova, Veronika; Gatina, Svetlana; Semenova, Irina

    2014-12-15

    Microstructure evolution and mechanical properties of ultra-fine grained Ti15Mo alloy processed by high pressure torsion were investigated. High pressure torsion straining resulted in strong grain refinement as-observed by transmission electron microscopy. Microhardness and light microscopy showed two distinct regions (i) a central region with radial material flow and low microhardness (340 HV) and (ii) a peripheral region with rotational material flow and high microhardness (430 HV). Positron annihilation spectroscopy showed that the only detectable defects in the material are dislocations, whose density increases with the radial distance and the number of high pressure torsion revolutions. The local chemical environment around defects does not differ significantly from the average composition. - Highlights: Beta-Ti alloy Ti15Mo was processed by high pressure torsion (HPT). Lateral inhomogeneity of the microstructure and microhardness was found. Dislocations are the only lattice defects detectable by positron annihilation. Molybdenum is not preferentially segregated along dislocation cores.

  4. 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)

  5. Diffusion anisotropy of poor metal solute atoms in hcp-Ti

    SciTech Connect (OSTI)

    Scotti, Lucia Mottura, Alessandro

    2015-05-28

    Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a result of the bond angle distortion.

  6. Tuning thermal conductivity in homoepitaxial SrTiO{sub 3} films via defects

    SciTech Connect (OSTI)

    Brooks, Charles M.; Wilson, Richard B.; Cahill, David G.; Schäfer, Anna; Schubert, Jürgen; Mundy, Julia A.; Holtz, Megan E.; Muller, David A.; Schlom, Darrell G.

    2015-08-03

    We demonstrate the ability to tune the thermal conductivity of homoepitaxial SrTiO{sub 3} films deposited by reactive molecular-beam epitaxy by varying growth temperature, oxidation environment, and cation stoichiometry. Both point defects and planar defects decrease the longitudinal thermal conductivity (k{sub 33}), with the greatest decrease in films of the same composition observed for films containing planar defects oriented perpendicular to the direction of heat flow. The longitudinal thermal conductivity can be modified by as much as 80%—from 11.5 W m{sup −1}K{sup −1} for stoichiometric homoepitaxial SrTiO{sub 3} to 2 W m{sup −1}K{sup −1} for strontium-rich homoepitaxial Sr{sub 1+δ}TiO{sub x} films—by incorporating (SrO){sub 2} Ruddlesden-Popper planar defects.

  7. Surface roughness and interface width scaling of magnetron sputter deposited Ni/Ti multilayers

    SciTech Connect (OSTI)

    Maidul Haque, S.; Biswas, A.; Tokas, R. B.; Bhattacharyya, D.; Sahoo, N. K.; Bhattacharya, Debarati

    2013-09-14

    Using an indigenously built r.f. magnetron sputtering system, several single layer Ti and Ni films have been deposited at varying deposition conditions. All the samples have been characterized by Grazing Incidence X-ray Reflectivity (GIXR) and Atomic Force Microscopy to estimate their thickness, density, and roughness and a power law dependence of the surface roughness on the film thickness has been established. Subsequently, at optimized deposition condition of Ti and Ni, four Ni/Ti multilayers of 11-layer, 21-layer, 31-layer, and 51-layer having different bilayer thickness have been deposited. The multilayer samples have been characterized by GIXR and neutron reflectivity measurements and the experimental data have been fitted assuming an appropriate sample structure. A power law correlation between the interface width and bilayer thickness has been observed for the multilayer samples, which was explained in the light of alternate roughening/smoothening of multilayers and assuming that at the interface the growth restarts every time.

  8. Process of making titanium carbide (TiC) nano-fibrous felts

    SciTech Connect (OSTI)

    Fong, Hao; Zhang, Lifeng; Zhao, Yong; Zhu, Zhengtao

    2015-01-13

    A method of synthesizing mechanically resilient titanium carbide (TiC) nanofibrous felts comprising continuous nanofibers or nano-ribbons with TiC crystallites embedded in carbon matrix, comprising: (a) electrospinning a spin dope for making precursor nanofibers with diameters less than 0.5 J.Lm; (b) overlaying the nanofibers to produce a nanofibrous mat (felt); and then (c) heating the nano-felts first at a low temperature, and then at a high temperature for making electrospun continuous nanofibers or nano-ribbons with TiC crystallites embedded in carbon matrix; and (d) chlorinating the above electrospun nano-felts at an elevated temperature to remove titanium for producing carbide derived carbon (CDC) nano-fibrous felt with high specific surface areas.

  9. Structural and dielectric properties of CuO-doped SrTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Naidu, K. Chandra Babu Sarmash, T. Sofi; Maddaiah, M.; Reddy, V. Narasimha; Subbarao, T.

    2015-06-24

    Copper-doped SrTiO{sub 3} (ST) ceramic powders were processed by solid-state route diffusion (SRD) bulk preparation technique. We reported the effect of Cu{sup +2} ions on the dielectric response of ST and it established the substantial increase in dielectric constant (ε{sub r}) than undoped ST from 303K-673K and low loss (tanδ) for good dielectric applications. In respect of the electrical properties ac- activation energies were computed of range 0.089-0.319eV using lnσ Vs 1/T plots. The microstructure was examined with grain sizes 6-9µm of uniform distribution by field emission scanning electron microscope (FESEM). Some additional phases SrCu{sub 3}Ti{sub 4}O{sub 12} and TiO{sub 2} rutiles were detected by X-ray diffraction technique.

  10. Eutectic bonding of a Ti sputter coated, carbon aerogel wafer to a Ni foil

    SciTech Connect (OSTI)

    Jankowski, A.F.; Hayes, J.P.; Kanna, R.L.

    1994-06-01

    The formation of high energy density, storage devices is achievable using composite material systems. Alternate layering of carbon aerogel wafers and Ni foils with rnicroporous separators is a prospective composite for capacitor applications. An inherent problem exists to form a physical bond between Ni and the porous carbon wafer. The bonding process must be limited to temperatures less than 1000{degrees}C, at which point the aerogel begins to degrade. The advantage of a low temperature eutectic in the Ni-Ti alloy system solves this problem. Ti, a carbide former, is readily adherent as a sputter deposited thin film onto the carbon wafer. A vacuum bonding process is then used to join the Ni foil and Ti coating through eutectic phase formation. The parameters required for successfld bonding are described along with a structural characterization of the Ni foil-carbon aerogel wafer interface.

  11. Thermo-mechanical processing (TMP) of Ti-48Al-2Nb-2Cr based alloys

    SciTech Connect (OSTI)

    Fuchs, G.E.

    1995-02-01

    The effects of heat treatment and deformation processing on the microstructures and properties of {gamma}-TiAl based alloys produced by ingot metallurgy (I/M) and powder metallurgy (P/M) techniques were examined. The alloy selected for this work is the second generation {gamma}-TiAl based alloy -- Ti-48Al-2Nb-2Cr (at %). Homogenization of I/M samples was performed at a variety of temperatures, followed by hot working by isothermal forging. P/M samples were prepared from gas atomized powders, consolidated by both HIP and extrusion and some of the HIPed material was then hot worked by isothermal forging. The effects of processing, heat treatment and hot working on the microstructures and properties will be discussed.

  12. Splitting of magnetic dipole modes in anisotropic TiO2 micro-spheres

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

    Khromova, Irina; Kuzel, Petr; Brener, Igal; Reno, John L.; Chung Seu, U-Chan; Elissalde, Catherine; Maglione, Mario; Mounaix, Patrick; Mitrofanov, Oleg

    2016-06-27

    Monocrystalline titanium dioxide (TiO2) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO2 micro-resonators can be used to enhance the interplay of magnetic and electric dipolemore » resonances in the emerging THz all-dielectric metamaterial technology.« less

  13. Room-temperature ferroelectricity of SrTiO{sub 3} films modulated by cation concentration

    SciTech Connect (OSTI)

    Yang, Fang; Zhang, Qinghua; Yang, Zhenzhong; Gu, Junxing; Liang, Yan; Li, Wentao; Wang, Weihua; Jin, Kuijuan; Gu, Lin; Guo, Jiandong

    2015-08-24

    The room-temperature ferroelectricity of SrTiO{sub 3} is promising for oxide electronic devices controlled by multiple fields. An effective way to control the ferroelectricity is highly demanded. Here, we show that the off-centered antisite-like defects in SrTiO{sub 3} films epitaxially grown on Si (001) play the determinative role in the emergence of room-temperature ferroelectricity. The density of these defects changes with the film cation concentration sensitively, resulting in a varied coercive field of the ferroelectric behavior. Consequently, the room-temperature ferroelectricity of SrTiO{sub 3} films can be effectively modulated by tuning the temperature of metal sources during the molecular beam epitaxy growth. Such an easy and reliable modulation of the ferroelectricity enables the flexible engineering of multifunctional oxide electronic devices.

  14. C ion-implanted TiO{sub 2} thin film for photocatalytic applications

    SciTech Connect (OSTI)

    Impellizzeri, G. Scuderi, V.; Sanz, R.; Privitera, V.; Romano, L.; Napolitani, E.; Carles, R.

    2015-03-14

    Third-generation TiO{sub 2} photocatalysts were prepared by implantation of C{sup +} ions into 110 nm thick TiO{sub 2} films. An accurate structural investigation was performed by Rutherford backscattering spectrometry, secondary ion mass spectrometry, X-ray diffraction, Raman-luminescence spectroscopy, and UV/VIS optical characterization. The C doping locally modified the TiO{sub 2} pure films, lowering the band-gap energy from 3.3 eV to a value of 1.8 eV, making the material sensitive to visible light. The synthesized materials are photocatalytically active in the degradation of organic compounds in water under both UV and visible light irradiation, without the help of any additional thermal treatment. These results increase the understanding of the C-doped titanium dioxide, helpful for future environmental applications.

  15. Resistive switching phenomena in TiO{sub x} nanoparticle layers for memory applications

    SciTech Connect (OSTI)

    Goren, Emanuelle; Tsur, Yoed; Ungureanu, Mariana; Zazpe, Raul; Rozenberg, Marcelo; Hueso, Luis E.; Casanova, Flix; Stoliar, Pablo

    2014-10-06

    Electrical characteristics of a Co/ TiO{sub x}/Co resistive memory device, fabricated by two different methods, are reported. In addition to crystalline TiO{sub 2} layers fabricated via conventional atomic layer deposition (ALD), an alternative method has been examined, where TiO{sub x} nanoparticle layers were fabricated via sol-gel. The different devices have shown different hysteresis loops with a unique crossing point for the sol-gel devices. A simple qualitative model is introduced to describe the different current-voltage behaviours by suggesting only one active metal-oxide interface for the ALD devices and two active metal-oxide interfaces for the sol-gel devices. Furthermore, we show that the resistive switching behaviour could be easily tuned by proper interface engineering and that despite having a similar active material, different fabrication methods can lead to dissimilar resistive switching properties.

  16. Pulsed laser-induced oxygen deficiency at TiO{sub 2} surface: Anomalous structure and electrical transport properties

    SciTech Connect (OSTI)

    Nakajima, Tomohiko; Tsuchiya, Tetsuo; Kumagai, Toshiya

    2009-09-15

    We have studied pulsed laser-induced oxygen deficiencies at rutile TiO{sub 2} surfaces. The crystal surface was successfully reduced by excimer laser irradiation, and an oxygen-deficient TiO{sub 2-{delta}} layer with 160 nm thickness was formed by means of ArF laser irradiation at 140 mJ/cm{sup 2} for 2000 pulses. The TiO{sub 2-{delta}} layer fundamentally maintained a rutile structure, though this structure was distorted by many stacking faults caused by the large oxygen deficiency. The electrical resistivity of the obtained TiO{sub 2-{delta}} layer exhibited unconventional metallic behavior with hysteresis. A metal-insulator transition occurred at 42 K, and the electrical resistivity exceeded 10{sup 4} OMEGA cm below 42 K. This metal-insulator transition could be caused by bipolaronic ordering derived from Ti-Ti pairings that formed along the stacking faults. The constant magnetization behavior observed below 42 K is consistent with the bipolaronic scenario that has been observed previously for Ti{sub 4}O{sub 7}. These peculiar electrical properties are strongly linked to the oxygen-deficient crystal structure, which contains many stacking faults formed by instantaneous heating during excimer laser irradiation. - Graphical abstract: A pulsed laser-irradiated TiO{sub 2-{delta}} substrate showed an unconventional metallic phase, with hysteresis over a wide range of temperatures and a metal-insulator transition at 42 K.

  17. Enhancement of the photocatalytic property of TiO{sub 2} columnar nanostructured films by changing deposition angle

    SciTech Connect (OSTI)

    Li, Zhengcao Teng, Yi; Xing, Liping; Zhang, Na; Zhang, Zhengjun

    2014-02-01

    Highlights: • Isolated and inclined columnar TiO{sub 2} nanostructures were obtained by sputtering Ti, and subsequently annealing. • The film performed photocatalytic decolorization effectively under UV irradiation. • The photocatalytic efficiency increased with deposition angle, which results in a more porous micro structure of the films. - Abstract: Isolated and inclined columnar nanostructured TiO{sub 2} films were obtained by sputtering titanium with glancing angle deposition method and subsequently annealing in air. Compared with flat film, TiO{sub 2} film fabricated with this method has higher porosity; compared with TiO{sub 2} powder, it overcomes the obstacles of immobilization and recycling. The TiO{sub 2} photocatalysis was evaluated by the degradation of methyl orange under UV light. It was indicated that the photocatalytic performance increased with deposition angle, which changed the porosity of the films. The relationship between deposition angle (the angle between the target and substrate surface) and the TiO{sub 2} columnar inclination angle (the angle between TiO{sub 2} columnar and substrate normal) was discussed.

  18. Tunable synthesis of TiO{sub 2}/SrO core/shell nanowire arrays with enhanced photocatalytic activity

    SciTech Connect (OSTI)

    Wang, Wenqi; Yang, Jie; Gong, Yingpeng; Hong, Hanlie

    2013-01-15

    Graphical abstract: TiO{sub 2} nanowires with tunable SrO shell layer are easily fabricated. The core/shell structure can enhance the photocatalytic activity of TiO{sub 2} nanowires and restrict the recombination of the electrons/holes. Display Omitted Highlights: ? A facile method to fabricate TiO{sub 2}/SrO core-shell nanowire array is reported. ? The thickness of SrO shell layer can be tunable by adjusting the dipping time. ? TiO{sub 2}/SrO core/shell nanowires shows enhanced photocatalytic activity. -- Abstract: We report a simple method to fabricate well-aligned TiO{sub 2}/SrO core/shell nanowire arrays. The core/shell structure is confirmed to have crystalline TiO{sub 2} nanowires core and amorphous SrO shell layer. The shell is composed of SrO with tunable thickness. Photocatalytic activity measurement shows that TiO{sub 2}/SrO core/shell nanowire arrays outperform uncovered TiO{sub 2} nanowires. Such core/shell nanowire arrays have potential applications for photovoltaic devices and as high performance photocatalyst.

  19. Structural properties of the geometrically frustrated pyrochlore Tb2Ti2O7

    SciTech Connect (OSTI)

    Han, Sang-Wook; Gardner, Jason S.; Booth, Corwin H.

    2004-06-14

    Although materials that exhibit nearest-neighbor-only antiferromagnetic interactions and geometrical frustration theoretically should not magnetically order in the absence of disorder, few such systems have been observed experimentally. One such system appears to be the pyrochlore Tb{sub 2}Ti{sub 2}O{sub 7}. However, previous structural studies indicated that Tb{sub 2}Ti{sub 2}O{sub 7} is an imperfect pyrochlore. To clarify the situation, we performed neutron powder diffraction (NPD) and x-ray absorption fine structure (XAFS) measurements on samples that were prepared identically to those that show no magnetic order. The NPD measurements show that the long-range structure of Tb{sub 2}Ti{sub 2}O{sub 7} is well ordered with no structural transitions between 4.5 and 600 K. In particular, mean-squared displacements (u{sup 2}'s) for each site follow a Debye model with no offsets. No evidence for Tb/Ti site interchange was observed within an upper limit of 2%. Likewise, no excess or deficiency in the oxygen stoichiometry was observed, within an upper limit of 2% of the nominal pyrochlore value. Tb L{sub III} and Ti K-edge XAFS measurements from 20-300 K similarly indicate a well-ordered local structure. Other aspects of the structure are considered. We conclude that Tb{sub 2}Ti{sub 2}O{sub 7} has, within experimental error, an ideal, disorder-free pyrochlore lattice, thereby allowing the system to remain in a dynamic, frustrated spin state to the lowest observed temperatures.

  20. Ultrafast Multiphoton Pump-probe Photoemission Excitation Pathways in Rutile TiO2(110)

    SciTech Connect (OSTI)

    Argondizzo, Adam; Cui, Xuefeng; Wang, Cong; Sun, Huijuan; Shang, Honghui; Zhao, Jin; Petek, Hrvoje

    2015-04-27

    We investigate the spectroscopy and photoinduced electron dynamics within the conduction band of reduced rutile TiO2(110) surface by multiphoton photoemission (mPP) spectroscopy with wavelength tunable ultrafast (!20 fs) laser pulse excitation. Tuning the mPP photon excitation energy between 2.9 and 4.6 eV reveals a nearly degenerate pair of new unoccupied states located at 2.73 ± 0.05 and 2.85 ± 0.05 eV above the Fermi level, which can be analyzed through the polarization and sample azimuthal orientation dependence of the mPP spectra. Based on the calculated electronic structure and optical transition moments, as well as related spectroscopic evidence, we assign these resonances to transitions between Ti 3d bands of nominally t2g and eg symmetry, which are split by crystal field. The initial states for the optical transition are the reduced Ti3+ states of t2g symmetry populated by formation oxygen vacancy defects, which exist within the band gap of TiO2. Furthermore,we studied the electron dynamics within the conduction band of TiO2 by three-dimensional time-resolved pump-probe interferometric mPP measurements. The spectroscopic and time-resolved studies reveal competition between 2PP and 3PP processes where the t2g-eg transitions in the 2PP process saturate, and are overtaken by the 3PP process initiated by the band-gap excitation from the valence band of TiO2.

  1. Pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation

    SciTech Connect (OSTI)

    Catillon, G.; Chartier, A.

    2014-11-21

    The pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation are calculated by means of molecular dynamics calculations. The critical temperature for amorphization obeys a linear law with pressure. Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation transits towards the fluorite above this temperature and amorphizes below. The configuration of the Ti interstitial reveals to be the key of the amorphizability of Gd{sub 2}Ti{sub 2}O{sub 7}. Its stability depends upon disorder and pressure. Low pressure promotes the stabilization of Ti linked-polyhedra that drive the system to the amorphous state under irradiation. Conversely, high pressure activates its destabilization to interstitials that recombine with vacancies, driving the system to the fluorite structure under irradiation.

  2. Thermal protection of H13 steel by growth of (TiAl)N films by PAPVD pulsed arc technique

    SciTech Connect (OSTI)

    Jimenez, H.; Devia, D.M.; Benavides, V.; Devia, A. Arango, Y.C.; Arango, P.J.; Velez, J.M.

    2008-08-15

    (TiAl)N Films were grown on H13 steel by a plasma assisted repetitive pulsed arc discharge. To grow the coatings, a TiAl sintered cathode was used, 50% Ti-50% Al. The deposition system consists of a reaction chamber with two electrodes placed face to face. A pulsed power supply, which allows for control of parameters like time active arc, time between arcs, arc energy, and others, is used to generate the discharge. Thermal changes were carried out on H13 steel before and after growing the (TiAl)N films. X-ray diffraction (XRD) was employed to study the coatings, observing the H13 steel and (TiAl)N oxidation temperature. Morphological characteristics were analyzed by means of an Atomic Force Microscopy (AFM). Scanning electron microscopy (SEM) revealed the surface chemical composition of the films and morphological details of the samples.

  3. A reaction mechanism for titanium nitride CVD from TiCl{sub 4} and NH{sub 3}

    SciTech Connect (OSTI)

    Larson, R.S.; Allendorf, M.D.

    1995-12-01

    A gas-phase and surface reaction mechanism for the CVD of TiN from TiCl{sub 4} and NH{sub 3} is proposed. The only gas-phase process is complex formation, which can compete with deposition. The surface mechanism postulates the stepwise elimination of Cl and H atoms from TiCl{sub 4} and NH{sub 3}, respectively, to form solid TiN and gaseous HCl. The mechanism also accounts for the change in oxidation state of Ti by allowing for liberation of N{sub 2}. Provided that the surface composition is at steady state, the stoichiometry of the overall reaction is reproduced exactly. In addition, the global kinetic law predicted by the mechanism is successfully fit to new deposition data from a rotating disk reactor and is shown to be consistent with literature results.

  4. Characterizations Of Precipitate Phases In a Ti-Ni-Pd Alloy

    SciTech Connect (OSTI)

    Yang, Fan; Kovarik, Libor; Phillips, Patrick J.; Noebe, Ronald D.; Mills, M. J.

    2012-06-01

    Precipitates in the Ti46Ni37.5Pd16.5 alloy were investigated by electron diffraction and high-resolution scanning transmission electron microscopy. The phase content and stability were determined at several different temperatures and times. Aging at 400 C for an hour results in a new phase, which is consumed by P-phase at longer aging time. At 450 C, the new phase appears first, and then coexists with P-phase. At 500 C, the entire alloy transformed into the new phase. At 550 C, Ti3(Ni,Pd)4 phase begins to form.

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

    SciTech Connect (OSTI)

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

    1984-03-01

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

  6. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

  7. Enhancing the Electron Mobility via Delta-Doping in SrTiO3

    SciTech Connect (OSTI)

    Kozuka, Y.

    2011-08-11

    We fabricated high-mobility {delta}-doped structures in SrTiO{sub 3} thin films in order to investigate the low temperature electronic transport properties of confined carriers in this system. An enhancement of the electron mobility above the bulk value was observed as the doped layer thickness decreased. High-field Hall measurements revealed that this mobility enhancement originates from higher-mobility electrons in the undoped clean regions, which have quantum-mechanically broadened from the doped layer. Because of the absence of apparent lattice misfit between the layers, this structure is highly suitable for investigating two-dimensional electron gases in SrTiO{sub 3}

  8. ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars

    SciTech Connect (OSTI)

    Wang, Dong, E-mail: dong.wang@tu-ilmenau.de; Yan, Yong; Schaaf, Peter [Chair Materials for Electronics, Institute of Materials Engineering and Institute of Micro- and Nanotechnologies MacroNano, TU Ilmenau, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau (Germany); Sharp, Thomas [Oxford Instruments Plasma Technology Ltd., Yatton, Bristol BS49 4AP (United Kingdom); Schnherr, Sven; Ronning, Carsten [Institute for Solid State Physics, Friedrich Schiller University Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Ji, Ran [SUSS MicroTec Lithography GmbH, Schleissheimer Str. 90, 85748 Garching (Germany)

    2015-01-01

    Porous Si nanopillar arrays are used as templates for atomic layer deposition of ZnO and TiO{sub 2}, and thus, ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars are fabricated. The diffusion of the precursor molecules into the inside of the porous structure occurs via Knudsen diffusion and is strongly limited by the small pore size. The luminescence of the ZnO/porous-Si nanocomposite nanopillars is also investigated, and the optical emission can be changed and even quenched after a strong plasma treatment. Such nanocomposite nanopillars are interesting for photocatalysis and sensors.

  9. An Experimental and Theoretical Study of Ti-6Al-4V to Multi-mbar Pressures

    SciTech Connect (OSTI)

    MacLeod, S G; Tegner, B E; Cynn, H; Evans, W J; Proctor, J; McMahon, M I; Ackland, G J

    2012-03-14

    We report results from an experimental and theoretical study of the ternary alloy Ti-6Al-4V to 221 GPa. We observe a phase transition to the hexagonal {omega}-phase at approximately 30 GPa, and then a further transition to the cubic {beta}-phase starting at 94-99 GPa. We do not observe the orthorhombic {gamma} and {delta} phases reported previously in pure Ti. Computational studies show that this sequence is possible only if there is significant local atomic ordering during the compression process, yet insufficient atomic diffusion to reach the phase separated thermodynamic equilibrium state.

  10. Visible Light Photocatalysis via CdS/TiO2Nanocomposite Materials

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

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

    2006-01-01

    Nanostructured colloidal semiconductors with heterogeneous photocatalytic behavior have drawn considerable attention over the past few years. This is due to their large surface area, high redox potential of the photogenerated charge carriers, and selective reduction/oxidation of different classes of organic compounds. In the present paper, we have carried out a systematic synthesis of nanostructured CdS-TiO2via reverse micelle process. The structural and microstructural characterizations of the as-prepared CdS-TiO2nanocomposites are determined using XRD and SEM-EDS techniques. The visible light assisted photocatalytic performance is monitored by means of degradation of phenol in water suspension.

  11. Mixed-sputter deposition of Ni-Ti-Cu shape memory films

    SciTech Connect (OSTI)

    Krulevitch, P.; Ramsey, P.B.; Makowiecki, D.M.; Lee, A.P.; Northrup, M.A.; Johnson, G.C.

    1994-05-01

    Ni-Ti-Cu shape memory films were mixed-sputter deposited from separate nickel, titanium, and copper targets, providing increased compositional flexibility. Shape memory characteristics, examined for films with 7 at. % Cu and 41--51 at. % Tl, were determined with temperature controlled substrate curvature measurements, and microstructure was studied with transmission electron microscopy. The Ni-Ti-Cu films were found to have shape memory properties comparable to bulk materials, with transformation temperatures between 20 and 62{degree}C, a 10--13{degree}C hysteresis, and up to 330 MPa recoverable stress.

  12. NA-SD 243.1B NNSA Records Management Suplemental Directive

    National Nuclear Security Administration (NNSA)

    243.1 Admin Change 1 1 3-21-16 ADMINISTRATIVE CHANGE TO NA SD 243.1, Records Management Program Locations of Changes: Page Paragraph From To Throughout Document * NNSA Records Management (Update name and hyperlink to new SharePoint site.) * NNSA Records Program Office (Update name and hyperlink to new SharePoint site.) 2 5.a.(1) * Office of the Administrator (NA-1) * Office of Defense Programs (NA- 10) * Office of Defense Nuclear Nonproliferation (NA-20) * Office of Naval Reactors (NA-30) *

  13. Improvement of the piezoelectric properties in (K,Na)NbO{sub 3}-based lead-free piezoelectric ceramic with two-phase co-existing state

    SciTech Connect (OSTI)

    Yamada, H. Matsuoka, T.; Kozuka, H.; Yamazaki, M.; Ohbayashi, K.; Ida, T.

    2015-06-07

    Two phases of (K,Na)NbO{sub 3} (KNN) co-exist in a KNN-based composite lead-free piezoelectric ceramic 0.910(K{sub 1−x}Na{sub x}){sub 0.86}Ca{sub 0.04}Li{sub 0.02}Nb{sub 0.85}O{sub 3−δ}–0.042K{sub 0.85}Ti{sub 0.85}Nb{sub 1.15}O{sub 5} –0.036BaZrO{sub 3}–0.0016Co{sub 3}O{sub 4}– 0.0025Fe{sub 2}O{sub 3}–0.0069ZnO system, over a wide range of Na fractions, where 0.56 ≤ x ≤ 0.75. The crystal systems of the two KNN phases are identified to tetragonal and orthorhombic by analyzing the synchrotron powder X-ray diffraction (XRD) data, high-resolution transmission electron microscopy (HR-TEM), and selected-area electron diffraction (SAD). In the range 0.33 ≤ x ≤ 0.50, the main component of the composite system is found to be single-phase KNN with a tetragonal structure. Granular nanodomains of the orthorhombic phase dispersed in the tetragonal matrix have been identified by HR-TEM and SAD for 0.56 ≤ x ≤ 0.75. Only a trace amount of the orthorhombic phase has been found in the SAD patterns at the composition x = 0.56. However, the number of orthorhombic nanodomains gradually increases with increasing Na content up to x < 0.75, as observed from the HR-TEM images. An abrupt increase and agglomeration of the nanodomains are observed at x = 0.75, where weak diffraction peaks of the orthorhombic phase have also become detectable from the XRD data. The maximum value of the electromechanical coupling coefficient, k{sub p} = 0.56, has been observed at the composition x = 0.56.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. In situ X-ray diffraction strain-controlled study of TiNbZr and TiNbTa shape memory alloys: crystal lattice and transformation features

    SciTech Connect (OSTI)

    Dubinskiy, S.; Prokoshkin, S.; Brailovski, V.; Inaekyan, K.; Korotitskiy, A.

    2014-02-15

    Phase and structure transformations in biomedical Ti21.8Nb6.0Zr (TNZ) and Ti19.7Nb5.8Ta (TNT) shape memory alloys (at.%) under and without load in the ? 150 to 100 S temperature range are studied in situ using an original tensile module for a low-temperature chamber of an X-ray diffractometer. Alpha?- and beta-phase lattice parameters, the crystallographic resource of recovery strain, phase and structure transformation sequences, and microstress appearance and disappearance are examined, compared and discussed. For both alloys, the crystallographic resource of recovery strain decreases with temperature increase to become 4.5% for TNZ and 2.5% for TNT alloy (at RT). Loading at low temperatures leads to additional ??-phase formation and reorientation. Heating under load, as compared to strain-free heating, affects the reverse transformation sequence of both alloys in different ways. For TNZ alloy, strain-free heating results in simultaneous ??? and ???? transformations, whereas during heating under stress, they are sequential: ? + ???? precedes ????. For TNT alloy, strain-free heating results in reverse ???? transformation, whereas during heating under stress, ???? transformation is preceded by ??-phase reorientation. - Highlights: Comparative in situ XRD analysis of TiNbZr(Ta) shape memory alloys is realized. Lattice parameters of ?- and ??-phases are calculated in the ? 150 to + 100 C range. The higher the temperature, the lower the ???? transformation strain. Loading at low temperatures results in ??-phase formation and reorientation. Transformation sequences upon heating with and without loading are different.

  19. Two-dimensional electron liquid at the (111) SmTiO{sub 3}/SrTiO{sub 3} interface

    SciTech Connect (OSTI)

    Raghavan, Santosh; Zhang, Jack Y.; Stemmer, Susanne

    2015-03-30

    Similar to (001) interfaces, a high carrier density, two-dimensional electron liquid (2DEL) is expected to form at (111) RTiO{sub 3}/SrTiO{sub 3} interfaces (R is a trivalent rare earth ion). In this study, epitaxial SmTiO{sub 3} layers were grown on (111) SrTiO{sub 3} surfaces using hybrid molecular beam epitaxy. We report on electrical transport measurements and characterize the carrier densities in the 2DEL and the carrier mobilities at these interfaces. The carrier density is in reasonable agreement with the expected carrier density of ∼2 × 10{sup 14 }cm{sup −2}. Mobility-limiting mechanisms are analyzed and compared with those of (001) interfaces. Collectively, the results indicate that (111) 2DELs are less confined than those at (001) interfaces. These 2DELs should allow for the study of the phenomena induced by the unique topology of the electron system at (111) interfaces.

  20. Investigation of carbon-coated lithiated Li{sub 4+x}Ti{sub 5}O{sub 12}/C for lithium-ion batteries

    SciTech Connect (OSTI)

    Pan, Mengjie; Zhang, Lin; Gong, Lijun; Liu, Hongbo; Chen, Yuxi

    2015-11-15

    Highlights: • Lithiated Li{sub 4+x}Ti{sub 5}O{sub 12}/C with pre-stored active Li ions has been synthesized. • The first-cycle coulombic efficiency of Li{sub 4+x}Ti{sub 5}O{sub 12}/C is over 100%. • Li{sub 4+x}Ti{sub 5}O{sub 12}/C displays excellent cyclic stability and capacity retention. • TiO{sub 2} nanoparticles and carbon coating are necessary for formation of Li{sub 4+x}Ti{sub 5}O{sub 12}/C. - Abstract: Carbon-coated Li{sub 4}Ti{sub 5}O{sub 12} and lithiated Li{sub 4+x}Ti{sub 5}O{sub 12} anode materials have been synthesized using nanosized anatase TiO{sub 2} and commercial TiO{sub 2} with mixed structure as Ti sources, respectively. Microstructural investigation indicates that Li{sub 4}Ti{sub 5}O{sub 12} and Li{sub 4+x}Ti{sub 5}O{sub 12} are covered by amorphous carbon layers with thickness of 2–3 nm. Their electrochemical performance has been evaluated, which indicates that an amount of active Li ions have been pre-stored in the Li{sub 4+x}Ti{sub 5}O{sub 12} lattice during solid-state synthesis, resulting in its first-cycle coulombic efficiency over 100%. Further, Li{sub 4+x}Ti{sub 5}O{sub 12}/C exhibits higher cyclic capacities than Li{sub 4}Ti{sub 5}O{sub 12}/C at different current density. The reversible charge capacity retention of Li{sub 4+x}Ti{sub 5}O{sub 12}/C reaches 98.5% after 100 cycles, which indicates that Li{sub 4+x}Ti{sub 5}O{sub 12}/C is promising candidate anode material for long lifetime lithium-ion batteries. The formation mechanism of Li{sub 4+x}Ti{sub 5}O{sub 12}/C has been discussed, in which the nanosized anatase TiO{sub 2} with high chemical activity and the carbon coating play key roles for the formation of Li{sub 4+x}Ti{sub 5}O{sub 12}/C.

  1. Pseudocapacitive Lithium-Ion Storage in Oriented Anatase TiO2 Nanotube Arrays

    SciTech Connect (OSTI)

    Zhu, K.; Wang, Q.; Kim, J. H.; Pesaran, A. A.; Frank, A. J.

    2012-06-07

    We report on the synthesis and electrochemical properties of oriented anatase TiO{sub 2} nanotube (NT) arrays as electrodes for Li-ion batteries. The TiO{sub 2} NT electrodes displayed both pseudocapacitive Li{sup +} storage associated with the NT surface and the Li{sup +} storage within the bulk material. The relative contribution of the pseudocapacitive and bulk storages depends strongly on the scan rate. While the charges are stored primarily in the bulk at low scan rates (<< 1 mV/s), the surface storage dominates the total storage capacity at higher scan rates (>1 mV/s). The storage capacity of the NT electrodes as a function of charge/discharge rates showed no dependence on the NT film thickness, suggesting that the Li{sup +} insertion/extraction processes occur homogeneously across the entire length of NT arrays. These results indicated that the electron conduction along the NT walls and the ion conduction within the electrolyte do not cause significant hindering of the charge/discharge kinetics for NT electrode architectures. As a result of the surface pseudocapacitive storage, the reversible Li{sup +} storage capacities for TiO{sub 2} NT electrodes were higher than the theoretical storage capacity for bulk anatase TiO{sub 2} materials.

  2. Frustrated spin correlations in diluted spin ice Ho2-xLaxTi2O7

    SciTech Connect (OSTI)

    Ehlers, Georg; Ehlers, G.; Mamontov, E.; Zamponi, M.; Faraone, A.; Qiu, Y.; Cornelius, A.L.; Booth, C.H.; Kam, K.C.; Le Toquin, R.; Cheetham, A.K.; Gardner, J.S.

    2008-04-30

    We have studied the evolution of the structural properties as well as the static and dynamic spin correlations of spin ice Ho2Ti2O7, where Ho was partially replaced by non-magnetic La. The crystal structure of diluted samples Ho2-xLaxTi2O7 was characterized by x-ray and neutron diffraction and by Ho L-III-edge and Ti K-edge extended x-ray absorption fine structure (EXAFS) measurements. It is found that the pyrochlore structure remains intact until about x = 0.3, but a systematic increase in local disorder with increasing La concentration is observed in the EXAFS data, especially from the Ti K edge.Quasi-elastic neutron scattering and ac susceptibility measurements show that, in x<= 0.4 samples at temperatures above macroscopic freezing, the spin -spin correlations are short ranged and dynamic in nature. The main difference with pure spin ice in the dynamics is the appearance of a second, faster, relaxation process.

  3. Electronic structure of titanium dichalcogenides TiX{sub 2} (X = S, Se, Te)

    SciTech Connect (OSTI)

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

    2012-01-15

    The electronic structure and the chemical bond in titanium dichalcogenides TiX{sub 2} (X = S, Se, Te), which are promising electrode materials for lithium batteries, are studied experimentally and theoretically. It is found that the X-ray photoelectron spectra of the valence bands and the core levels of titanium and its X-ray L{sub 2,3} absorption spectra demonstrate a change in the ionic and covalent components of the chemical bond in these compounds. The densities of states in these compounds are calculated by the full-potential augmented-plane-wave method, and multiplet calculations of the X-ray L{sub 2,3} absorption spectra of titanium are performed. It is shown that, in the row TiS{sub 2}-TiSe{sub 2}-TiTe{sub 2}, the covalence increases, the ionicity of the chemical bond decreases, and the effect of the crystal field of a ligand is weakened.

  4. 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

  5. Metastable bcc phase formation in the Nb-Cr-Ti system

    SciTech Connect (OSTI)

    Thoma, D.J.; Perepezko, J.H.

    1994-08-01

    Metastable disordered bcc phases have been formed from the melt in the Nb-Cr-Ti system where primary Laves phases would develop under equilibrium solidification conditions. Three vertical temperature-composition sections in the ternary system incorporating NbCr, were evaluated: the Nb-Cr binary, the TiCr{sub 2}-NbCr{sub 2} isoplethal section, and the NbCr{sub 2}-Ti plethal section. In the rapid solidification of NbCr{sub 2}, metastable bcc phase formation was not observed, but deviations from NbCr{sub 2} stoichiometry or alloying with Ti was found to promote bcc phase formation by decreasing the required liquid undercooling to reach the metastable bcc liquidus and solidus. The metastable phases were characterized through x-ray diffraction (XRD), and systematic deviations from Vegard`s Rule have been defined in the three plethal sections. The metastable bcc phases decompose at temperatures >800{degrees}C to uniformly refined microstructures. As a result, novel microstructural tailoring schemes are possible through the metastable precursor microstructures.

  6. Structural and magnetic phase transitions inEuTi1-xNbxO3

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

    Li, Ling; Morris, James R.; Koehler, Michael R.; Dun, Zhiling; Zhou, Haidong; Yan, Jiaqiang; Mandrus, David; Keppens, Veerle

    2015-07-30

    We have investigated the structural and magnetic phase transitions in EuTi1-xNbxO3 (0 ≤ x ≤ 0.3) with synchrotron powder x-ray diffraction, resonant ultrasound spectroscopy, and magnetization measurements. Upon Nb doping, the Pm3¯m ↔ I4/mcm structural transition shifts to higher temperatures and the room temperature lattice parameter increases while the magnitude of the octahedral tilting decreases. In addition, Nb substitution for Ti destabilizes the antiferromagnetic ground state of the parent compound and long-range ferromagnetic order is observed in the samples with x ≥ 0.1. The structural transition in pure and doped compounds is marked by a dramatic steplike softening of themore » elastic moduli near TS , which resembles that of SrTiO3 and can be adequately modeled using the Landau free energy model employing the same coupling between strain and octahedral tilting order parameter as previously used to model SrTiO3.« less

  7. Complex catalytic behaviors of CuTiOx mixed-oxide during CO oxidation

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

    Kim, Hyun You; Liu, Ping

    2015-09-21

    Mixed metal oxides have attracted considerable attention in heterogeneous catalysis due to the unique stability, reactivity, and selectivity. Here, the activity and stability of the CuTiOx monolayer film supported on Cu(111), CuTiOx/Cu(111), during CO oxidation was explored using density functional theory (DFT). The unique structural frame of CuTiOx is able to stabilize and isolate a single Cu+ site on the terrace, which is previously proposed active for CO oxidation. Furthermore, it is not the case, where the reaction via both the Langmuir–Hinshelwood (LH) and the Mars-van Krevelen (M-vK) mechanisms are hindered on such single Cu+ site. Upon the formation ofmore » step-edges, the synergy among Cuδ+ sites, TiOx matrix, and Cu(111) is able to catalyze the reaction well. Depending on temperatures and partial pressure of CO and O2, the surface structure varies, which determines the dominant mechanism. In accordance with our results, the Cuδ+ ion alone does not work well for CO oxidation in the form of single sites, while the synergy among multiple active sites is necessary to facilitate the reaction.« less

  8. Structural and electrical characterization of CoTiN metal gates

    SciTech Connect (OSTI)

    Wongpiya, Ranida; Ouyang, Jiaomin; Chung, Chia-Jung; Duong, Duc T.; Clemens, Bruce; Deal, Michael; Nishi, Yoshio

    2015-02-21

    As the gate size continues to decrease in nanoscale transistors, having metal gates with amorphous or near amorphous structures can potentially reduce grain-induced work function variation. Furthermore, amorphous materials are known to have superior diffusion barrier properties, which can help prevent work function change due to the diffusion of metals in contact with the gate. In this work we show that with the addition of cobalt, thin films of polycrystalline TiN become more amorphous with a smaller grain size. Co{sub x}(TiN){sub 1-x} films, where x?=?6080%, appear to consist of nanocrystals embedded in an amorphous matrix, and are thermally stable with no significant crystallization up to an annealing temperature of at least 600?C. Reducing the nitrogen gas flow ratio during sputter deposition from 9% to 2.5% further decreases the films' crystallinity, which is apparent by more sparse and even smaller nanocrystals. In addition to being partially amorphous, these CoTiN films also exhibit good thermal stability, low resistivity, low roughness, and have the potential for atomic layer deposition compatibility. Even though these materials are not completely amorphous, their small crystal size and amorphous matrix can potentially reduce work function variation and improve their diffusion barrier property. These properties make CoTiN a good candidate as a gate material for future nanoelectronic devices and technology.

  9. Preparation of atomically flat rutile TiO2(001) surfaces for oxide film growth

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

    Wang, Yang; Lee, Shinbuhm; Vilmercati, P.; Lee, Ho Nyung; Weitering, Hanno; Snijders, Paul C.

    2016-01-01

    The availability of low-index rutile TiO2 single crystal substrates with atomically flat surfaces is essential for enabling epitaxialgrowth of rutile transition metal oxide films. The high surface energy of the rutile (001) surface often leads to surface faceting, which precludes the sputter and annealing treatment commonly used for the preparation of clean and atomically flat TiO2(110) substrate surfaces. In this work, we reveal that stable and atomically flat rutile TiO2(001) surfaces can be prepared with an atomically ordered reconstructedsurface already during a furnace annealing treatment in air. We tentatively ascribe this result to the decrease in surface energy associated withmore » the surface reconstruction, which removes the driving force for faceting. Despite the narrow temperature window where this morphology can initially be formed, we demonstrate that it persists in homoepitaxialgrowth of TiO2(001) thin films. The stabilization of surface reconstructions that prevent faceting of high-surface-energy crystal faces may offer a promising avenue towards the realization of a wider range of high quality epitaxial transition metal oxide heterostructures.« less

  10. CriTi-CAL: A computer program for Critical Coiled Tubing Calculations

    SciTech Connect (OSTI)

    He, X.

    1995-12-31

    A computer software package for simulating coiled tubing operations has been developed at Rogaland Research. The software is named CriTiCAL, for Critical Coiled Tubing Calculations. It is a PC program running under Microsoft Windows. CriTi-CAL is designed for predicting force, stress, torque, lockup, circulation pressure losses and along-hole-depth corrections for coiled tubing workover and drilling operations. CriTi-CAL features an user-friendly interface, integrated work string and survey editors, flexible input units and output format, on-line documentation and extensive error trapping. CriTi-CAL was developed by using a combination of Visual Basic and C. Such an approach is an effective way to quickly develop high quality small to medium size software for the oil industry. The software is based on the results of intensive experimental and theoretical studies on buckling and post-buckling of coiled tubing at Rogaland Research. The software has been validated by full-scale test results and field data.

  11. UV-black rutile TiO{sub 2}: An antireflective photocatalytic nanostructure

    SciTech Connect (OSTI)

    Sanz, Ruy Zimbone, Massimo; Buccheri, Maria Antonietta; Scuderi, Viviana; Impellizzeri, Giuliana; Privitera, Vittorio; Romano, Lucia; Scuderi, Mario; Nicotra, Giuseppe; Jensen, Jens

    2015-02-21

    This work presents an experimental study on the specific quantitative contributions of antireflective and effective surface areas on the photocatalytic and antibacterial properties of rutile TiO{sub 2} nanospikes. They are studied when continuously distributed over the whole surface and when integrated into well-defined microstructures. The nanospikes were produced following MeV ion beam irradiation of bulk rutile TiO{sub 2} single crystals and subsequent chemical etching. The ion beam irradiation generated embedded isolated crystalline nanoparticles inside an etchable amorphous TiO{sub 2} layer, and nanospikes fixed to the not etchable TiO{sub 2} bulk substrate. The produced nanospikes are shown to resist towards aggressive chemical environments and act as an efficient UV antireflective surface. The photocatalytic activity experiments were performed under the ISO 10678:2010 protocol. The photonic and quantum efficiency are reported for the studied samples. The combined micro- and nanostructured surface triples the photonic efficiency compared to the initial flat surface. Results also revealed that the antireflective effect, due to the nanostructuring, is the dominating factor compared to the increase of surface area, for the observed photocatalytic response. The obtained results may be taken as a general strategy to design and precisely evaluate photoactive nanostructures.

  12. The Synthesis of Ag-Doped Mesoporous TiO2

    SciTech Connect (OSTI)

    Li, Xiaohong S.; Fryxell, Glen E.; Wang, Chong M.; Engelhard, Mark H.

    2008-04-15

    Ag-doped mesoporous titanium oxide was prepared using non-ionic surfactants and easily handled titanium precursors, under mild reaction conditions. In contrast to the stabilizing effect of Cd-doping on mesoporous TiO2, Ag-doping was found to significantly destabilize the mesoporous structure.

  13. 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.

  14. Room temperature alcohol sensing by oxygen vacancy controlled TiO{sub 2} nanotube array

    SciTech Connect (OSTI)

    Hazra, A.; Dutta, K.; Bhowmik, B.; Bhattacharyya, P.; Chattopadhyay, P. P.

    2014-08-25

    Oxygen vacancy (OV) controlled TiO{sub 2} nanotubes, having diameters of 5070?nm and lengths of 200250?nm, were synthesized by electrochemical anodization in the mixed electrolyte comprising NH{sub 4}F and ethylene glycol with selective H{sub 2}O content. The structural evolution of TiO{sub 2} nanoforms has been studied by field emission scanning electron microscopy. Variation in the formation of OVs with the variation of the structure of TiO{sub 2} nanoforms has been evaluated by photoluminescence and X-ray photoelectron spectroscopy. The sensor characteristics were correlated to the variation of the amount of induced OVs in the nanotubes. The efficient room temperature sensing achieved by the control of OVs of TiO{sub 2} nanotube array has paved the way for developing fast responding alcohol sensor with corresponding response magnitude of 60.2%, 45.3%, and 36.5% towards methanol, ethanol, and 2-propanol, respectively.

  15. Atomic and electronic structure of the ferroelectric BaTiO{sub 3}/Ge(001) interface

    SciTech Connect (OSTI)

    Fredrickson, Kurt D.; Ponath, Patrick; Posadas, Agham B.; Demkov, Alexander A.; McCartney, Martha R.; Smith, David J.; Aoki, Toshihiro

    2014-06-16

    In this study, we demonstrate the epitaxial growth of BaTiO{sub 3} on Ge(001) by molecular beam epitaxy using a thin Zintl template buffer layer. A combination of density functional theory, atomic-resolution electron microscopy and in situ photoemission spectroscopy is used to investigate the electronic properties and atomic structure of the BaTiO{sub 3}/Ge interface. Aberration-corrected scanning transmission electron micrographs reveal that the Ge(001) 2??1 surface reconstruction remains intact during the subsequent BaTiO{sub 3} growth, thereby enabling a choice to be made between several theoretically predicted interface structures. The measured valence band offset of 2.7?eV matches well with the theoretical value of 2.5?eV based on the model structure for an in-plane-polarized interface. The agreement between the calculated and measured band offsets, which are highly sensitive to the detailed atomic arrangement, indicates that the most likely BaTiO{sub 3}/Ge(001) interface structure has been identified.

  16. 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.

  17. Interactions of small platinum clusters with the TiC(001) surface

    SciTech Connect (OSTI)

    Mao, Jianjun; Li, Shasha; Chu, Xingli; Yang, Zongxian

    2015-11-14

    Density functional theory calculations are used to elucidate the interactions of small platinum clusters (Pt{sub n}, n = 1–5) with the TiC(001) surface. The results are analyzed in terms of geometric, energetic, and electronic properties. It is found that a single Pt atom prefers to be adsorbed at the C-top site, while a Pt{sub 2} cluster prefers dimerization and a Pt{sub 3} cluster forms a linear structure on the TiC(001). As for the Pt{sub 4} cluster, the three-dimensional distorted tetrahedral structure and the two-dimensional square structure almost have equal stability. In contrast with the two-dimensional isolated Pt{sub 5} cluster, the adsorbed Pt{sub 5} cluster prefers a three-dimensional structure on TiC(001). Substantial charge transfer takes place from TiC(001) surface to the adsorbed Pt{sub n} clusters, resulting in the negatively charged Pt{sub n} clusters. At last, the d-band centers of the absorbed Pt atoms and their implications in the catalytic activity are discussed.

  18. A proposal for a cold fusion study in the Ti/D system

    SciTech Connect (OSTI)

    Tian, Z.A. )

    1992-01-01

    In this paper, to enhance the cold fusion process in the Ti/D system, a special experimental procedure is proposed that includes electrolysis in nonaqueous solutions at low temperature (about {minus}70{degrees} C), surface pretreatment by depositing nickel film on titanium electrodes, and a unique triggering method based on passing current axially through the electrode wire.

  19. Characterization of H, Na-Y using amine desorption

    SciTech Connect (OSTI)

    Biaglow, A.I.; Parrillo, D.J.; Gorte, R.J. )

    1993-11-01

    The authors have examined series of partially ion-exchanged H, Na-Y zeolites using temperature programmed desorption (TPD) and thermogravimetric analysis (TGA) of isopropylamine and n-propylamine in order to examine the acid sites in H-Y zeolites as a function of Na poisoning. Both amines desorbed from Na-Y, unreacted, below 500 K; however, samples containing protonic sites exhibited two additional desorption features. First, unreacted amine molecules were observed leaving the samples between [approximately] 500 and 600 K. Second, reaction features appeared which were observed as the simultaneous desorption of propene and ammonia between 575 and 650 K for isopropylamine and between 625 and 700 K for n-propylamine. For a given sample, the number of both isopropylene and n-propylamine molecules which desorbed in both features was identical. Furthermore, the number of molecules desorbing from the two high-temperature features was found to be equal to the number of protonic sites for the entire series, which indicates that both desorption features are associated with protonic sites. This finding was confirmed by infrared spectroscopy, which also demonstrated that the unreacting desorption feature was associated with the low-frequency, hydroxyl stretch at 3540 cm[sup [minus]1] and that the reacting amine molecules was adsorbed at the high-frequency, hydroxyl stretch near 3640 cm[sup [minus]1]. The implications of these results for understanding the use of TPD-TGA of amines for the characterization of acidity is discussed. 30 refs., 9 figs., 2 tabs.

  20. Magnetic and nonlinear optical properties of BaTiO{sub 3} nanoparticles

    SciTech Connect (OSTI)

    Ramakanth, S.; Venugopal Rao, S.; Hamad, Syed; James Raju, K. C.

    2015-05-15

    In our earlier studies the BaTiO{sub 3} samples were processed at higher temperatures like 1000{sup o}C and explained the observed magnetism in it. It is found that the charge transfer effects are playing crucial role in explaining the observed ferromagnetism in it. In the present work the samples were processed at lower temperatures like 650{sup o}C-800{sup o}C. The carrier densities in these particles were estimated to be ∼ 10{sup 19}-10{sup 20}/cm{sup 3} range. The band gap is in the range of 2.53eV to 3.2eV. It is observed that magnetization increased with band gap narrowing. The higher band gap narrowed particles exhibited increased magnetization with a higher carrier density of 1.23×10{sup 20}/cm{sup 3} near to the Mott critical density. This hint the exchange interactions between the carriers play a dominant role in deciding the magnetic properties of these particles. The increase in charge carrier density in this undoped BaTiO{sub 3} is because of oxygen defects only. The oxygen vacancy will introduce electrons in the system and hence more charge carriers means more oxygen defects in the system and increases the exchange interactions between Ti3+, Ti4+, hence high magnetic moment. The coercivity is increased from 23 nm to 31 nm and then decreased again for higher particle size of 54 nm. These particles do not show photoluminescence property and hence it hints the absence of uniformly distributed distorted [TiO5]-[TiO6] clusters formation and charge transfer between them. Whereas these charge transfer effects are vital in explaining the observed magnetism in high temperature processed samples. Thus the variation of magnetic properties like magnetization, coercivity with band gap narrowing, particle size and charge carrier density reveals the super paramagnetic nature of BaTiO{sub 3} nanoparticles. The nonlinear optical coefficients extracted from Z-scan studies suggest that these are potential candidates for optical imaging and signal processing