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Sample records for nb ta solid

  1. Subtleties of structure and bonding in Ta-S-Se and Ta-Nb-S solid solutions

    NASA Astrophysics Data System (ADS)

    Nanjundaswamy, K. S.; Hughbanks, Timothy

    1992-06-01

    Substitution of selenium by sulfur and tantalum by niobium into the 1x[Ta 5Ta] chains characteristic of Ta 3S 2 and Ta 2S is attempted in an effort to understand the structural diversity of a metal-rich chalcogenides. Neither Ta 2S nor Ta 3S 2 incorporates a significant amount of selenium, while Ta 2Se-like structures are found to persist in Ta 2S 1-xSe x for 0.2≤x≤1.0, a and c progressively increasing with x. The Ta 2Se-like structure is stable to annealing at temperatures ≥1000°C for 0.5≤ x≤1.0, and compositions with x≤0.5 disproportionate to Ta 3S 2, Ta 6S, and Ta 1- xSe 2 on annealing. Both our work and research completed in Franzen's laboratories show that niobium substitution into the 1x[Ta 5Ta] chains does not occur to any large extent, instead layered Ta 2Se-like structures ( M4S 2 and M5S 2) are stabilized. At the composition Ta 2- xNb xS ( x=0.6) as-cast samples are virtually single phase, adopting a Ta 2Se-like structure. A single crystal structure determination for a crystal with composition Ta 1.4Nb 0.6S was carried out: space group P4/ nmm (No. 129), a=3.339(1), c=9.089(7) Å, V=101.33(9) Å 3, Z=2. While electronic structure calculations nicely rationalize the metal-metal bonding in any of these structures, the ability to predict which structures will be stabilized for which systems remains out of reach.

  2. Preparation and electrochemical properties of Zr-site substituted Li7La3(Zr2-xMx)O12 (M = Ta, Nb) solid electrolytes

    NASA Astrophysics Data System (ADS)

    Huang, Mian; Shoji, Mao; Shen, Yang; Nan, Ce-Wen; Munakata, Hirokazu; Kanamura, Kiyoshi

    2014-09-01

    Li7La3Zr2O12 (LLZ) solid electrolytes with Zr site partially substituted by Ta and Nb elements were prepared via the conventional solid-state reaction. All the compositions could lead to the cubic garnet-type structure after sintering at 1150 °C. The use of γ-Al2O3 as a sintering aid in the preparation of doped LLZ was studied. It was shown that Al could help to improve the micro-structure for Nb doping, but not necessary for Ta doping. The Ta and Nb doping enhanced the ionic conductivity at 25 °C to 4.09 × 10-4 S cm-1 and 4.50 × 10-4 S cm-1, respectively. A conductivity as high as 1.23 × 10-3 S cm-1 was obtained when measured at 50 °C in air for the Nb-doped LLZ. All-solid-state batteries with LLZTa and LLZNb solid electrolytes were assembled and tested. The cyclic voltammetry (CV) measurement indicated the successful working of the batteries.

  3. Reactions of laser-ablated Nb and Ta atoms with N2: experimental and theoretical study of M(NN)x (M = Nb, Ta; x = 1-4) in solid neon.

    PubMed

    Lu, Zhang-Hui; Jiang, Ling; Xu, Qiang

    2010-07-01

    Reactions of laser-ablated niobium and tantalum atoms with dinitrogen in solid neon have been investigated using matrix-isolation infrared spectroscopy. The Nb(NN)(x) and Ta(NN)(x) (x = 1-4) molecules formed during sample deposition or on annealing are the major products. The products are characterized on the basis of isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, and change of reagent concentration and laser energy. Density functional theory calculations have been performed to understand the structures, ground electronic states, and bonding characteristics of niobium and tantalum dinitrogen complexes. The overall agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these species from the matrix infrared spectra. The molecular orbital analyses and plausible reaction pathways for the formation of the products are also discussed.

  4. Subduction related fluids fractionate Nb/Ta

    NASA Astrophysics Data System (ADS)

    Salters, V. J.; Bizimis, M.; Sachi-Kocher, A.; Taylor, R.; Savov, I. P.; Stern, C. R.

    2009-12-01

    Key differences between the chemical composition of terrestrial materials and those of meteorites have led to the suggestion that a `hidden’ high Nb/Ta reservoir exists in the Earth’s mantle. In order to test this hypothesis we must identify the processes that can create such a reservoir. It has been suggested that during subduction Nb is more refractory then Ta resulting in low Nb/Ta in the subducted slab, which then serves as a reservoir for the high Nb/Ta. Here we report high precision HFSE data on products of the subduction processes thought to fractionate Nb from Ta: boninites (hydrous melting), adakites (slab melting), oceanic island arc basalts and supra subduction zone peridotites. We developed a new method for the high precision determination of Nb, Ta, Zr, Hf concentrations based on a modified version of standard addition. All analyses were performed on a single collector ICPMS (ELEMENT 1), using Y and Yb as internal standards to correct for instrumental drift during the unspiked -spiked sample sequence. Concentrations are calculated using a York- type regression that accounts for all measured and propagated errors. Long-term reproducibility (multiple dissolutions and multiple spike solutions) for the standards BHVO-1, BIR-1 AGV-1 and BCR-1 are better than 0.8% (1s) for Nb/Ta and Zr/Hf ratios. The advantages of this method compared to previous methods are fast throughput, no column chemistry and low blanks. While the Zr/Hf ratios in subduction-related volcanics and ocean island basalts vary by less than a factor of two, the Nb/Ta ratio varies by a factor of four. Most of the Nb/Ta variation is observed in subduction related rocks. Samples with the highest Nb/Ta ratio (up to 19.5) are adakites from the Austral Volcanic Zone (Andes) which are thought to represent eclogitic melts from subducted oceanic crust which was most likely dehydrated. The lowest Nb/Ta (5) was found in boninites from Chichi-Jima, Bonin Island. Samples from Chichi-Jima and from the

  5. Rutile is holding Nb and Ta in the mantle, negligible Nb and Ta in the core

    NASA Astrophysics Data System (ADS)

    McDonough, W. F.; Rudnick, R. L.

    2008-12-01

    Continental Crust has a significant depletion in Nb and Ta relative to La that has been attributed to convergent margin (arc) magmatism and greater retention of Nb and Ta in the mantle source. This depleted pattern is a consequence of the plotting order of elements, which has been established by the relative partitioning behavior of elements during MORB-OIB genesis. It is our hypothesis that rutile in subducting slabs or delaminated lower continental crust is the important phase causing Nb(Ta)-depletion in the continental crust, as well as lowering its Nb/Ta. Experimental studies reveal a range of Nb/Ta fractionation responses in residual rutile depending on temperature and phase relations(melting vs dehydration). Examples of rutile-bearing, refractory eclogites have been identified that serve as analog materials for residues of the continental crust. These rutiles have radiogenic Hf isotopes (Vervoort, unpubl. data), and thus are not recent precipitates from metasomatic melts, as has been recently suggested. What remains is to understand the total silicate Earth's mass balance. In this regard, it is worth noting that early Archean Barbarton komatiites possess chondritic La/Nb ratios, and Nb/Ta ~15, a value comparable to Allende CV3 chondrite. This observation is not consistent with the storage of Nb (or Ta) in the core and suggests that the silicate Earth controls the planetary budget of Nb and Ta. Constraints on the amount of Nb in the core must be evaluated by multi-element approaches, using ratios of refractory lithophile elements. Chondritic ratios for La/Nb and Nb/Ta are not defined simply as a single value with a restricted range and are not always constant, with examples of both negligible and distinct differences between groups of chondrites. The database for chondrites is still small for Nb and Ta.

  6. First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

    NASA Astrophysics Data System (ADS)

    Ravi, C.; Panigrahi, B. K.; Valsakumar, M. C.; van de Walle, Axel

    2012-02-01

    In this paper, we report the calculated phase diagrams of V-Nb, V-Ta, and Nb-Ta alloys computed by combining the total energies of 40-50 configurations for each system (obtained using density functional theory) with the cluster expansion and Monte Carlo techniques. For V-Nb alloys, the phase diagram computed with conventional cluster expansion shows a miscibility gap with consolute temperature Tc=1250 K. Including the constituent strain to the cluster expansion Hamiltonian does not alter the consolute temperature significantly, although it appears to influence the solubility of V- and Nb-rich alloys. The phonon contribution to the free energy lowers Tc to 950 K (about 25%). Our calculations thus predicts an appreciable miscibility gap for V-Nb alloys. For bcc V-Ta alloy, this calculation predicts a miscibility gap with Tc=1100 K. For this alloy, both the constituent strain and phonon contributions are found to be significant. The constituent strain increases the miscibility gap while the phonon entropy counteracts the effect of the constituent strain. In V-Ta alloys, an ordering transition occurs at 1583 K from bcc solid solution phase to the V2Ta Laves phase due to the dominant chemical interaction associated with the relatively large electronegativity difference. Since the current cluster expansion ignores the V2Ta phase, the associated chemical interaction appears to manifest in making the solid solution phase remain stable down to 1100 K. For the size-matched Nb-Ta alloys, our calculation predicts complete miscibility in agreement with experiment.

  7. Nb-Ta, Nb-Mo and Nb-V oxides prepared from hybrid organic-inorganic precursors

    SciTech Connect

    Deligne, N.; Bayot, D.; Degand, M.; Devillers, M.

    2007-07-15

    New hybrid organic-inorganic materials based on group 5 elements and a well-defined polymeric matrix have been prepared and used as precursors for Nb-Ta and Nb-Mo mixed oxides. In this non-conventional but easily accessible route to multimetallic oxides, a copolymer of N,N-diallyl-N-hexylamine and maleic acid was synthesised and used as matrix to stabilise inorganic species generated in solution from (NH{sub 4}){sub 6}Mo{sub 7}O{sub 24}.4H{sub 2}O, NH{sub 4}VO{sub 3} (gu){sub 3}[Nb(O{sub 2}){sub 4}] and (gu){sub 3}[Ta(O{sub 2}){sub 4}]. Solid-state studies indicate that the homogeneity of the blends can be kept up to about 0.5 mol Nb{sup V} and Ta{sup V} and 0.25 mol V{sup V} per mol of repeat units of the copolymer. The calcination conditions of these homogeneous hybrid precursors were optimised to produce Nb-Mo, Nb-Ta and Nb-V oxides. While the thermal treatment of the Nb-V hybrid blends led only to a mixture of different phases, the characterisation of the final phases by X-ray diffraction (XRD) proved the formation of pure Nb{sub 2}Mo{sub 3}O{sub 14} and showed that Nb-Ta oxides could be synthesised as single phases corresponding to a continuous series of solid solutions. - Graphical abstract: An alternative route based on hybrid organic-inorganic materials was implemented to synthesise Nb-Ta, Nb-Mo and Nb-V oxides. The hybrid materials were prepared by incorporation of inorganic salts based on Nb{sup V}, Ta{sup V}, V{sup V} and Mo{sup VI} in an organic polymer bearing cationic as well as anionic moieties. A thermal treatment of these hybrid blends has allowed the formation of multimetallic oxides.

  8. Hydrogen distribution in Nb/Ta superlattices.

    PubMed

    Wolff, Max; Pálsson, Gunnar K; Korelis, Panagiotis T; Dura, Joseph A; Majkrzak, Charles; Hjörvarsson, Björgvin

    2012-06-27

    The distribution of hydrogen in Nb/Ta superlattices has been investigated by combined neutron reflectivity and x-ray scattering. We provide evidence to support that strain modulations determined with x-ray diffraction can be interpreted as modulations in hydrogen content. We show that the hydrogen concentration is modulated and favors Nb, in agreement with previous studies. We measure the concentration directly using neutron reflectivity and demonstrate no detectable change in the distribution of hydrogen with temperature, in stark contrast to previous studies.

  9. Wear transition of solid-solution-strengthened Ti-29Nb-13Ta-4.6Zr alloys by interstitial oxygen for biomedical applications.

    PubMed

    Lee, Yoon-Seok; Niinomi, Mitsuo; Nakai, Masaaki; Narita, Kengo; Cho, Ken; Liu, Huihong

    2015-11-01

    In previous studies, it has been concluded that volume losses (V loss) of the Ti-29Nb-13Ta-4.6Zr (TNTZ) discs and balls are larger than those of the respective Ti-6Al-4V extra-low interstitial (Ti64) discs and balls, both in air and Ringer's solution. These results are related to severe subsurface deformation of TNTZ, which is caused by the lower resistance to plastic shearing of TNTZ than that of Ti64. Therefore, it is necessary to further increase the wear resistance of TNTZ to satisfy the requirements as a biomedical implant. From this viewpoint, interstitial oxygen was added to TNTZ to improve the plastic shear resistance via solid-solution strengthening. Thus, the wear behaviors of combinations comprised of a new titanium alloy, TNTZ with high oxygen content of 0.89 mass% (89O) and a conventional titanium alloy, Ti64 were investigated in air and Ringer's solution for biomedical implant applications. The worn surfaces, wear debris, and subsurface damage were analyzed using a scanning electron microscopy and an electron probe microanalysis. V loss of the 89O discs and balls are smaller than those of the respective TNTZ discs and balls in both air and Ringer's solution. It can be concluded that the solid-solution strengthening by oxygen effectively improves the wear resistance for TNTZ materials. However, the 89O disc/ball combination still exhibits higher V loss than the Ti64 disc/ball combination in both air and Ringer's solution. Moreover, V loss of the disc for the 89O disc/Ti64 ball combination significantly decreases in Ringer's solution compared to that in air. This decrease for the 89O disc/Ti64 ball combination in Ringer's solution can be explained by the transition in the wear mechanism from severe delamination wear to abrasive wear.

  10. Boron site preference in ternary Ta and Nb boron silicides

    SciTech Connect

    Khan, Atta U.; Nunes, Carlos A.; Coelho, Gilberto C.; Suzuki, Paulo A.; Grytsiv, Andriy; Bourree, Francoise; Rogl, Peter F.

    2012-06-15

    X-ray single crystal (XSC) and neutron powder diffraction data (NPD) were used to elucidate boron site preference for five ternary phases. Ta{sub 3}Si{sub 1-x}B{sub x} (x=0.112(4)) crystallizes with the Ti{sub 3}P-type (space group P4{sub 2}/n) with B-atoms sharing the 8g site with Si atoms. Ta{sub 5}Si{sub 3-x} (x=0.03(1); Cr{sub 5}B{sub 3}- type) crystallizes with space group I4/mcm, exhibiting a small amount of vacancies on the 4a site. Both, Ta{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.568(3), and Nb{sub 5}(Si{sub 1-x}B{sub x}){sub 3}, x=0.59(2), are part of solid solutions of M{sub 5}Si{sub 3} with Cr{sub 5}B{sub 3}-type into the ternary M-Si-B systems (M=Nb or Ta) with B replacing Si on the 8h site. The D8{sub 8}-phase in the Nb-Si-B system crystallizes with the Ti{sub 5}Ga{sub 4}-type revealing the formula Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292(3)) with B partially filling the voids in the 2b site of the Mn{sub 5}Si{sub 3} parent type. - Graphical abstract: The crystal structures of a series of compounds have been solved from X-ray single crystal diffractometry revealing details on the boron incorporation. Highlights: Black-Right-Pointing-Pointer Structure of a series of compounds have been solved by X-ray single crystal diffractometry. Black-Right-Pointing-Pointer Ta{sub 3}(Si{sub 1-x}B{sub x}) (x=0.112) crystallizes with the Ti{sub 3}P-type, B and Si atoms randomly share the 8g site. Black-Right-Pointing-Pointer Structure of Nb{sub 5}Si{sub 3}B{sub 1-x} (x=0.292; Ti{sub 5}Ga{sub 4}-type) was solved from NPD.

  11. Structural studies of the metal-rich region in the ternary Ta-Nb-S system

    SciTech Connect

    Yao, Xiaoqiang.

    1991-10-07

    Six new solid solution type compounds have been prepared using high temperature techniques and characterized by means of single crystal x-ray techniques during a study of the metal-rich region of the ternary Ta-Nb-S system. The structures of Nb{sub x}Ta{sub 11-x}S{sub 4} are reminiscent of niobium-rich sulfides, rather than of tantalum-rich sulfides. The coordinations of sulfur are capped trigonal prismatic while the metal coordinations are capped distorted cubic prismatic for Nb{sub x}Ta{sub 11-x}S{sub 4}, and capped distorted cubic prismatic and pentagonal prismatic for Nb{sub 12-x}Ta{sub x}S{sub 4}. The structures of Nb{sub x}Ta{sub 5-x}S{sub 2} contain homoatomic layers sequenced S-M3-M2-M1-M2-M3-S (M is mixed Nb, Ta) generating six-layer sheets, respectively. Weak S-S interactions at 3.26 and 3.19{Angstrom} between sheets contrast with the M-M binding within and between the sheets in these two novel layered compounds. The former are presumably responsible for the observed graphitic slippage of the samples. Nb{sub 21-x}Ta{sub x}S{sub 8} and Nb{sub x}Ta{sub 2-x}S are isostructural with Nb{sub 21}S{sub 8} and Ta{sub 2}S, respectively. Extended Hueckel band calculations were carried out for two layered compounds, Nb{sub x}Ta{sub 5-x}S{sub 2} (x {approx} 1.72) and Nb{sub x}ta{sub 2-x}S (x {approx} 0.95). Based upon band calculations metallic properties can be expected for these two layered compounds. The relative preference of the metal sites for the two metal elements (Ta, Nb) in two layered compounds is explained by the results of the band calculations. 17 figs., 31 tabs., 80 refs.

  12. "Engineered dual NbTa barriers for higher Jc Nb3Sn superconductors"

    SciTech Connect

    Robert E. Barber; Karl T. Hartwig

    2012-07-07

    The tantalum (Ta) diffusion barrier in advanced Nb3Sn superconductors often develops a failure mode during wire drawing where the Nb and Ta layers deform non-uniformly leading to a rough interface with adjacent copper. The non-uniform deformation of these layers can lead to premature wire breakage and breaches in the barrier, and contamination of the copper stabilizer by tin (Sn). The objective of the proposed work was to demonstrate that a dual NbTa layer made from severely deformed Nb and Ta exhibits improved co-deformation behavior with pure Cu in advanced Nb3Sn superconductors. This phase I project demonstrated improved microstructural uniformity and superior mechanical property characteristics of equal channel angular extrusion (ECAE) processed and rolled Nb and Ta sheets. The results of this work point to a method for fabrication of higher field and lower cost superconducting magnets for high energy physics applications.

  13. Electronic structure of the bcc transition metals: Thermoreflectance studies of bulk V, Nb, Ta, and αTaHx

    NASA Astrophysics Data System (ADS)

    Rosei, R.; Colavita, E.; Franciosi, A.; Weaver, J. H.; Peterson, D. T.

    1980-04-01

    Thermoreflectance studies of bulk samples of V, Nb, Ta, and α-phase TaHx are reported and the results interpreted in terms of recent band calculations. The first interband transition is identified as a transition involving the Σ band at EF. An M3 critical-point transition is attributed to states at N. Significant changes induced by interstitial hydrogen in solid solution α-TaHx are observed and interpreted as due to hybridization and lowering of the N1 eigenenergy.

  14. Nb/Ta - Zr/Hf Fractionations during Subduction: Implications for the'Missing' Nb.

    NASA Astrophysics Data System (ADS)

    Zateslo, T.; Bizimis, M.; Salters, V. J.; Stern, C.; Taylor, R. N.

    2008-12-01

    Key differences between the chemical composition of terrestrial materials and those of meteorites have led to the suggestion that a 'hidden' high Nb/Ta reservoir exists in the Earth's mantle. In order to test this hypothesis we must identify the processes that can create such a reservoir. Here we report the first high precision HFSE data on products of the subduction processes thought to fractionate Nb from Ta: boninites (hydrous melting), adakites (slab melting), OIBs (Koolau, Walvis: plume with recycled oceanic crust), as well as kimberlites and lamproites. We developed a new method for the high precision determination of Nb, Ta, Zr, Hf concentrations based on a modified version of standard addition. All analyses were performed on a single collector ICPMS (ELEMENT 1), using Y and Yb as internal standards to correct for instrumental drift during the unspiked -spiked sample sequence. Concentrations are calculated using a York- type regression that accounts for all measured and propagated errors. Long-term reproducibility (multiple dissolutions and multiple spike solutions) for the standards BHVO-1, BIR-1 AGV-1 and BCR-1 are better than 0.8% (1s) for Nb/Ta and Zr/Hf ratios. The advantages of this method compared to previous methods are fast throughput, no column chemistry and low blanks. The Koolau and Walvis Ridge lavas have subchondritic Nb/Ta for a given Zr/Hf, overlapping other OIB suites and show no evidence for a recycled, high Nb/Ta reservoir in their source. OIB, considered as a group, have relatively constant Nb/Ta (15-16) but more variable Zr/Hf (35-50). In contrast, boninites (Chichi Jima) have significantly subchondritic Nb/Ta (4-12) at near constant Zr/Hf (35), while adakites (South Andes) extend to near chondritic Nb/Ta (13-19) at more variable Zr/Hf (30-40). The adakites showing the least evidence for crustal contamination have the highest Nb/Ta. The arc lavas cross the OIB trend at near right angle on a Nb/Ta vs. Zr/Hf plot having larger Nb/Ta

  15. Assessment of relative Ti, Ta, and Nb (TiTaN) enrichments in global ocean island basalts

    NASA Astrophysics Data System (ADS)

    Peters, B.; Day, J. M.

    2013-12-01

    The relative sensitivity of trace element concentrations to processes governing solid-melt and solid-fluid interactions has made them particularly useful for tracing the effects of partial melting, fractional crystallization, metasomatism and similar processes on the composition of a parental melt to a rock or mineral. Radiogenic and stable isotope compositions, in contrast, can provide information on the long-term history and provenance of magmas. Despite the distinct information derived from relative and absolute abundances of trace elements compared with isotopes, numerous studies of ocean island basalts (OIB) have attempted to use trace elements as diagnostic geochemical tracers to understand parental magma compositions. In particular, attempts have been made to correlate 'TiTaN' (Ti, Ta and Nb) anomalies to the He-Os isotopic compositions of OIB based on contributions from recycled eclogite, a theoretical high-TiTaN reservoir, and peridotite, a theoretical high-3He/4He reservoir (Jackson, et al., 2008 G-cubed). These authors have proposed that TiTaN anomalies can be used as independent indicators for recycled oceanic crust and lithospheric mantle in OIB sources, a distinction previously reserved for isotopic data. However, TiTaN anomalies appear uncorrelated to OIB mantle source composition for three reasons. First, a new geochemical compilation of global OIB shows a wide range of Ti (Ti/Ti* = 0.28 - 2.35), Ta (Ta/Ta* = 0.11 - 93.42) and Nb (Nb/Nb* = 0.13 - 17.79) anomalies that do not correlated with each other or noble gas systematics, indicating that: (i) TiTaN anomalies alone do not correspond to the primitive source traced by high-3He/4He or the solar neon component and (ii) Ti, Ta and Nb anomalies may each reflect distinct processes or origins, rather than tracing a single source or process together. Second, positive Ti anomalies can be generated by low-degree (1-10%), non-modal batch partial melting of garnet lherzolite at temperatures and pressures

  16. Mechanical Properties, Quantum Mechanical Calculations, and Crystallographic/Spectroscopic Characterization of GaNbO4, Ga(Ta,Nb)O4, and GaTaO4.

    PubMed

    Perfler, Lukas; Kahlenberg, Volker; Többens, Daniel; Schaur, Andreas; Tribus, Martina; Orlova, Maria; Kaindl, Reinhard

    2016-06-01

    Single crystals as well as polycrystalline samples of GaNbO4, Ga(Ta,Nb)O4, and GaTaO4 were grown from the melt and by solid-state reactions, respectively, at various temperatures between 1698 and 1983 K. The chemical composition of the crystals was confirmed by wavelength-dispersive electron microprobe analysis, and the crystal structures were determined by single-crystal X-ray diffraction. In addition, a high-P-T synthesis of GaNbO4 was performed at a pressure of 2 GPa and a temperature of 1273 K. Raman spectroscopy of all compounds as well as Rietveld refinement analysis of the powder X-ray diffraction pattern of GaNbO4 were carried out to complement the structural investigations. Density functional theory (DFT) calculations enabled the assignment of the Raman bands to specific vibrational modes within the structure of GaNbO4. To determine the hardness (H) and elastic moduli (E) of the compounds, nanoindentation experiments have been performed with a Berkovich diamond indenter tip. Analyses of the load-displacement curves resulted in a high hardness of H = 11.9 ± 0.6 GPa and a reduced elastic modulus of Er = 202 ± 9 GPa for GaTaO4. GaNbO4 showed a lower hardness of H = 9.6 ± 0.5 GPa and a reduced elastic modulus of Er = 168 ± 5 GPa. Spectroscopic ellipsometry of the polished GaTa0.5Nb0.5O4 ceramic sample was employed for the determination of the optical constants n and k. GaTa0.5Nb0.5O4 exhibits a high average refractive index of nD = 2.20, at λ = 589 nm. Furthermore, in situ high-temperature powder X-ray diffraction experiments enabled the study of the thermal expansion tensors of GaTaO4 and GaNbO4, as well as the ability to relate them with structural features.

  17. Mechanical Properties, Quantum Mechanical Calculations, and Crystallographic/Spectroscopic Characterization of GaNbO4, Ga(Ta,Nb)O4, and GaTaO4.

    PubMed

    Perfler, Lukas; Kahlenberg, Volker; Többens, Daniel; Schaur, Andreas; Tribus, Martina; Orlova, Maria; Kaindl, Reinhard

    2016-06-01

    Single crystals as well as polycrystalline samples of GaNbO4, Ga(Ta,Nb)O4, and GaTaO4 were grown from the melt and by solid-state reactions, respectively, at various temperatures between 1698 and 1983 K. The chemical composition of the crystals was confirmed by wavelength-dispersive electron microprobe analysis, and the crystal structures were determined by single-crystal X-ray diffraction. In addition, a high-P-T synthesis of GaNbO4 was performed at a pressure of 2 GPa and a temperature of 1273 K. Raman spectroscopy of all compounds as well as Rietveld refinement analysis of the powder X-ray diffraction pattern of GaNbO4 were carried out to complement the structural investigations. Density functional theory (DFT) calculations enabled the assignment of the Raman bands to specific vibrational modes within the structure of GaNbO4. To determine the hardness (H) and elastic moduli (E) of the compounds, nanoindentation experiments have been performed with a Berkovich diamond indenter tip. Analyses of the load-displacement curves resulted in a high hardness of H = 11.9 ± 0.6 GPa and a reduced elastic modulus of Er = 202 ± 9 GPa for GaTaO4. GaNbO4 showed a lower hardness of H = 9.6 ± 0.5 GPa and a reduced elastic modulus of Er = 168 ± 5 GPa. Spectroscopic ellipsometry of the polished GaTa0.5Nb0.5O4 ceramic sample was employed for the determination of the optical constants n and k. GaTa0.5Nb0.5O4 exhibits a high average refractive index of nD = 2.20, at λ = 589 nm. Furthermore, in situ high-temperature powder X-ray diffraction experiments enabled the study of the thermal expansion tensors of GaTaO4 and GaNbO4, as well as the ability to relate them with structural features. PMID:27175821

  18. Comparative Raman study of Weyl semimetals TaAs, NbAs, TaP and NbP

    NASA Astrophysics Data System (ADS)

    Liu, H. W.; Richard, P.; Zhao, L. X.; Chen, G.-F.; Ding, H.

    2016-07-01

    We report a comparative polarized Raman study of Weyl semimetals TaAs, NbAs, TaP and NbP. The evolution of the phonon frequencies with the sample composition allows us to determine experimentally which atoms are mainly involved for each vibration mode. Our results confirm previous first-principles calculations indicating that the A1, B1(2), E(2) and E(3) modes involve mainly the As(P) atoms, the B1(1) mode is mainly related to Ta(Nb) atoms, and the E(1) mode involves both kinds of atoms. By comparing the energy of the different modes, we establish that the B1(1), B1(2), E(2) and E(3) become harder with increasing chemical pressure. This behaviour differs from our observation on the A1 mode, which decreases in energy, in contrast to its behaviour under external pressure.

  19. Comparative Raman study of Weyl semimetals TaAs, NbAs, TaP and NbP.

    PubMed

    Liu, H W; Richard, P; Zhao, L X; Chen, G-F; Ding, H

    2016-07-27

    We report a comparative polarized Raman study of Weyl semimetals TaAs, NbAs, TaP and NbP. The evolution of the phonon frequencies with the sample composition allows us to determine experimentally which atoms are mainly involved for each vibration mode. Our results confirm previous first-principles calculations indicating that the A1, B1(2), E(2) and E(3) modes involve mainly the As(P) atoms, the B1(1) mode is mainly related to Ta(Nb) atoms, and the E(1) mode involves both kinds of atoms. By comparing the energy of the different modes, we establish that the B1(1), B1(2), E(2) and E(3) become harder with increasing chemical pressure. This behaviour differs from our observation on the A1 mode, which decreases in energy, in contrast to its behaviour under external pressure. PMID:27248581

  20. Nb-Ta fractionation in hydrothermal magnetite: implications for the "missing Nb" paradox

    NASA Astrophysics Data System (ADS)

    Shuo, Y.; Changqian, M.

    2015-12-01

    The subchondritic Nb/Ta ratios in continental crust and depleted mantle require complementary reservoirs to balance the deficit Nb observed in most terrestrial silicate reservoirs. In this work, we provide textural and in-situ trace elemental data of magnetite from Baishiya iron deposit, East Kunlun Orogenic Belt, Northern Tibet Plateau to constrain the Nb-Ta fractionation in hydrothermal magnetite, a potential mineral to explain the missing Nb paradox. Four stages of mineralization and alteration have been identified based on field work and petrography study: iron skarnization, hydrothermal alteration, metasomatic carbonatation and quartz-sulfide mineralization. Back scattering images reveal that magnetite in iron skarnization stage develops obvious oscillatory zonation patterns, whereas those formed in the hydrothermal alteration and metasomatic carbonatation stages display metasomatic texture, and those in sulfide mineralization stage develops euhedral zoned texture. Corresponding to the textural signatures, systematic variation of trace elements is also observed in their trace element concentration which is related to the efficient factors during fluid-rock interaction. Therefore, some factors on Nb-Ta fractionation could be excluded through their variation with the Nb/Ta ratios. Above it all, a negative exclusively correlation of Nb/Ta (0.55-27) and the content of V and Ni, are considered to be key elements due to their siderophile and chalcophile affinity respectively. It confirms that increased oxygen and sulfur fugacity are primary factors that controlled Nb/Ta fractionation in hydrothermal magnetite. Similarly, the band iron formations with huge amounts of magnetites in subduction process presumably carried off mass Nb from the mantle due to the dehydration of the oceanic crust and fluid-rock interaction subsequently. We contend that the BIFs in deep mantle may be a potential complementary reservoir that has been overlooked before.

  1. Characterization of multi-principal-element (TiZrNbHfTa)N and (TiZrNbHfTa)C coatings for biomedical applications.

    PubMed

    Braic, V; Balaceanu, M; Braic, M; Vladescu, A; Panseri, S; Russo, A

    2012-06-01

    Multi-principal-element (TiZrNbHfTa)N and (TiZrNbHfTa)C coatings were deposited on Ti6Al4V alloy by co-sputtering of Ti, Zr, Nb, Hf and Ta metallic targets in reactive atmosphere. The coatings were analyzed for elemental and phase compositions, crystalline structure, morphology, residual stress, hardness, friction performance, wear-corrosion resistance and cell viability. For all the films, only simple fcc solid solutions with (111) preferred orientations were found, with crystallite sizes in the range 7.2-13.5 nm. The coatings were subjected to compressive stress, with values ranging from 0.8 to 1.6 GPa. The carbide coating with the highest carbon content (carbon/metal ≈1.3) exhibited the highest hardness of about 31 GPa, the best friction behavior (μ = 0.12) and the highest wear resistance (wear rate K=0.2×10(-6)mm(3)N(-1)m(-1)), when testing in simulated body fluids (SBFs). Cell viability tests proved that the osteoblast cells were adherent to the coated substrates, and a very high percentage of live cells were observed on sample surfaces, after 72 h incubation time.

  2. Electronic structure of the bcc transition metals: Thermoreflectance studies of bulk V, Nb, Ta, and. cap alpha. TaH/sub x/

    SciTech Connect

    Rosei, R.; Colavita, E.; Franciosi, A.; Weaver, J.H.; Peterson, D.T.

    1980-04-15

    Thermoreflectance studies of bulk samples of V, Nb, Ta, and ..cap alpha..-phase TaH/sub x/ are reported and the results interpreted in terms of recent band calculations. The first interband transition is identified as a transition involving the ..sigma.. band at E/sub F/. An M/sub 3/ critical-point transition is attributed to states at N. Significant changes induced by interstitial hydrogen in solid solution ..cap alpha..-TaH/sub x/ are observed and interpreted as due to hybridization and lowering of the N/sup prime//sub 1/ eigenenergy.

  3. Supporting data for senary refractory high-entropy alloy CrxMoNbTaVW

    PubMed Central

    Zhang, B.; Gao, M.C.; Zhang, Y.; Guo, S.M.

    2015-01-01

    This data article is related to the research paper entitled “senary refractory high-entropy alloy CrxMoNbTaVW [1]”. In this data article, the pseudo-binary Cr-MoNbTaVW phase diagram is presented to show the impact of Cr content to the senary Cr-MoNbTaVW alloy system; the sub-lattice site fractions are presented to show the disordered property of the Cr-MoNbTaVW BCC structures; the equilibrium and Scheil solidification results with the actual sample elemental compositions are presented to show the thermodynamic information of the melted/solidified CrxMoNbTaVW samples; and the raw EDS scan data of the arc-melted CrxMoNbTaVW samples are also provided. PMID:26693172

  4. Mesoporous Nb and Ta Oxides: Synthesis, Characterization and Applications in Heterogeneous Acid Catalysis

    NASA Astrophysics Data System (ADS)

    Rao, Yuxiang Tony

    In this work, a series of mesoporous Niobium and Tantalum oxides with different pore sizes (C6, C12, C18 , ranging from 12A to 30 A) were synthesized using the ligand-assisted templating approach and investigated for their activities in a wide range of catalytic applications including benzylation, alkylation and isomerization. The as-synthesized mesoporous materials were characterized by nitrogen adsorption, powder X-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), and solid-state Nuclear magnetic resonance (NMR) techniques. In order to probe into the structural and coordination geometry of mesoporous Nb oxide and in efforts to make meaningful comparisons of mesoporous niobia prepared by the amine-templating method with the corresponding bulk sol-gel prepared Nb2O5 phase, 17O magic-angle-spinning solid-state NMR studies were conducted. The results showed a very high local order in the mesoporous sample. The oxygen atoms are coordinated only as ONb 2 in contrast with bulk phases in which the oxygen atoms are always present in a mixture of ONb2 and ONb3 coordination environments. To enhance their surface acidities and thus improve their performance as solid acid catalysts in the acid-catalyzed reactions mentioned above, pure mesoporous Nb and Ta oxides were further treated with 1M sulfuric acid or phosphoric acid. Their surface acidities before and after acid treatment were measured by Fourier transform infraRed (FT IR), amine titration and temperature programmed desorption of ammonia (NH3-TPD). Results obtained in this study showed that sulfated mesoporous Nb and Ta oxides materials possess relative high surface areas (up to 612 m 2/g) and amorphous wormhole structure. These mesoporous structures are thus quite stable to acid treatment. It was also found that Bronsted (1540 cm-1) and Lewis (1450 cm-1) acid sites coexist in a roughly 50:50 mixture

  5. Assessment of relative Ti, Ta, and Nb (TITAN) enrichments in ocean island basalts

    NASA Astrophysics Data System (ADS)

    Peters, Bradley J.; Day, James M. D.

    2014-11-01

    sensitivity of trace element concentrations to processes governing solid-melt interactions has made them valuable tools for tracing the effects of partial melting, fractional crystallization, metasomatism, and similar processes on the composition of a parental melt. Recent studies of ocean island basalts (OIB) have sought to correlate Ti, Ta, and Nb (TITAN) anomalies to isotopic tracers, such as 3He/4He and 187Os/188Os ratios, which may trace primordial deep mantle sources. A new compilation of global OIB trace element abundance data indicates that positive TITAN anomalies, though statistically pervasive features of OIB, may not be compositional features of their mantle sources. OIB show a range of Ti (Ti/Ti* = 0.28-2.35), Ta (Ta/Ta* = 0.11-93.4), and Nb (Nb/Nb* = 0.13-17.8) anomalies that show negligible correlations with 3He/4He ratios, indicating that TITAN anomalies are not derived from the less-degassed mantle source traced by high-3He/4He. Positive TITAN anomalies can be modeled using variable degrees (0.1-10%) of nonmodal batch partial melting of garnet-spinel lherzolite at temperatures and pressures considered typical for OIB petrogenesis, and subjecting this partial melt to fractional crystallization and assimilation of mid-ocean ridge basalt-like crust (AFC). Correlations of TITAN anomalies with modal abundances of olivine and clinopyroxene in porphyritic Canary Islands lavas provide empirical support for this process and indicate that high abundances of these phases in OIB may create misleading trace element anomalies on primitive mantle-normalized spider diagrams. Because partial melting and AFC are common to all mantle-derived magmas, caution should be used when attributing TITAN anomalies to direct sampling of recycled or deep mantle sources by hotspots.

  6. MRI compatible Nb-Ta-Zr alloys used for vascular stents: optimization for mechanical properties.

    PubMed

    Li, Hui-Zhe; Xu, Jian

    2014-04-01

    With the increased usage of magnetic resonance imaging (MRI) as a diagnostic tool in clinic, the currently-used metals for vascular stents, such as 316L stainless steel (SS), Co-Cr alloys and Ni-Ti alloys, are challenged by their unsatisfactory MRI compatibility, due to their constituents containing ferromagnetic elements. To provide more MRI compatible vascular stents, the Nb-xTa-2Zr (30≤x≤70) series alloys were selected in the current work. Several key properties of these alloys were optimized in terms of stent requirements, including magnetic susceptibility, elastic modulus and tensile properties. In the as-cast state, a single-phase solid solution with bcc structure was formed in the alloys. The volume magnetic susceptibility (χv) and Young's modulus (E) of the alloys scaled linearly with the Ta content. Increasing the Ta content gave rise to the decreased χv and the increased E, together with the elevated yield strength but less-changed elongation. From multiple requirements for the stents, the Nb-60Ta-2Zr alloy exhibits an optimal properties, including the χv of about 3% of the 316L SS, the E of 142GPa superior to pure niobium, high mass density of 12.03g/cm(3) favored to the X-ray visibility, yield strength of ~330MPa comparable to the 316L SS and a elongation of ~24%. These remarkable advantages make it quite promising as a new candidate of stent metals.

  7. Synthesis and characterization of Ti-Ta-Nb-Mn foams.

    PubMed

    Aguilar, C; Guerra, C; Lascano, S; Guzman, D; Rojas, P A; Thirumurugan, M; Bejar, L; Medina, A

    2016-01-01

    The unprecedented increase in human life expectancy have produced profound changes in the prevailing patterns of disease, like the observed increased in degenerative disc diseases, which cause degradation of the bones. Ti-Nb-Ta alloys are promising materials to replace the damaged bone due to their excellent mechanical and corrosion resistance properties. In general metallic foams are widely used for medical application due to their lower elastic moduli compare to bulk materials. In this work we studied the synthesis of 34Nb-29Ta-xMn (x: 2, 4 and 6 wt.% Mn) alloy foams (50% v/v) using ammonium hydrogen carbonate as a space holder. Alloys were produced through mechanical alloying in a planetary mill for 50h. Green compacts were obtained by applying 430 MPa pressure. To remove the space holder from the matrix the green compacts were heated to 180 °C for 1.5h and after sintered at 1300 °C for 3h. Foams were characterized by x-ray diffraction, scanning, transmission electron microscopy and optical microscopy. The elastic modulus of the foam was measured as ~30 GPa, and the values are almost equal to the values predicted using various theoretical models. PMID:26478329

  8. Synthesis and characterization of Ti-Ta-Nb-Mn foams.

    PubMed

    Aguilar, C; Guerra, C; Lascano, S; Guzman, D; Rojas, P A; Thirumurugan, M; Bejar, L; Medina, A

    2016-01-01

    The unprecedented increase in human life expectancy have produced profound changes in the prevailing patterns of disease, like the observed increased in degenerative disc diseases, which cause degradation of the bones. Ti-Nb-Ta alloys are promising materials to replace the damaged bone due to their excellent mechanical and corrosion resistance properties. In general metallic foams are widely used for medical application due to their lower elastic moduli compare to bulk materials. In this work we studied the synthesis of 34Nb-29Ta-xMn (x: 2, 4 and 6 wt.% Mn) alloy foams (50% v/v) using ammonium hydrogen carbonate as a space holder. Alloys were produced through mechanical alloying in a planetary mill for 50h. Green compacts were obtained by applying 430 MPa pressure. To remove the space holder from the matrix the green compacts were heated to 180 °C for 1.5h and after sintered at 1300 °C for 3h. Foams were characterized by x-ray diffraction, scanning, transmission electron microscopy and optical microscopy. The elastic modulus of the foam was measured as ~30 GPa, and the values are almost equal to the values predicted using various theoretical models.

  9. Crystal Structure, Transformation Strain, and Superelastic Property of Ti-Nb-Zr and Ti-Nb-Ta Alloys

    NASA Astrophysics Data System (ADS)

    Kim, Hee Young; Fu, Jie; Tobe, Hirobumi; Kim, Jae Il; Miyazaki, Shuichi

    2015-06-01

    The composition dependences of transformation strain and shape memory, and superelastic properties were extensively investigated in Ti-Nb-Zr and Ti-Nb-Ta alloys in order to establish the guidelines for alloy design of biomedical superelastic alloys. The effects of composition on the crystal structure of the parent (β) phase and the martensite (α″) phase were also investigated. Results showed that not only transformation temperature but also transformation strain is tunable by alloy design, i.e., adjusting contents of Nb, Zr, and Ta. The lattice constant of the β phase increased linearly with increasing Zr content, while it was insensitive to Nb and Ta contents. On the other hand, the lattice constants of the α″ phase are mainly affected by Nb and Ta contents. The increase of Zr content exhibited a weaker impact on the transformation strain compared with Nb and Ta. The addition of Zr as a substitute of Nb with keeping superelasticity at room temperature significantly increased the transformation strain. On the other hand, the addition of Ta decreased the transformation strain at the compositions showing superelasticity. This study confirmed that the crystallography of martensitic transformation can be the main principal to guide the alloy design of biomedical superelastic alloys.

  10. Evolution of planetary cores and the Earth-Moon system from Nb/Ta systematics.

    PubMed

    Münker, Carsten; Pfänder, Jörg A; Weyer, Stefan; Büchl, Anette; Kleine, Thorsten; Mezger, Klaus

    2003-07-01

    It has been assumed that Nb and Ta are not fractionated during differentiation processes on terrestrial planets and that both elements are lithophile. High-precision measurements of Nb/Ta and Zr/Hf reveal that Nb is moderately siderophile at high pressures. Nb/Ta values in the bulk silicate Earth (14.0 +/- 0.3) and the Moon (17.0 +/- 0.8) are below the chondritic ratio of 19.9 +/- 0.6, in contrast to Mars and asteroids. The lunar Nb/Ta constrains the mass fraction of impactor material in the Moon to less than 65%. Moreover, the Moon-forming impact can be linked in time with the final core-mantle equilibration on Earth 4.533 billion years ago.

  11. Nb-Ta mobility and fractionation during exhumation of UHP eclogite from southwestern Tianshan, China

    NASA Astrophysics Data System (ADS)

    Zhang, Lijuan; Zhang, Lifei; Lü, Zeng; Bader, Thomas; Chen, Zhenyu

    2016-05-01

    In order to study the behavior of high field strength elements (HFSE) during retrograde overprint of ultrahigh-pressure (UHP) eclogites, analysis of Nb and Ta concentrations was carried out on bulk rock, rutile (in both veins and host rocks) and titanite in the host eclogite. The studied samples were collected from the UHP metamorphic belt of southwestern Tianshan, China. Petrographic observation and phase equilibria modeling show that the host eclogites have experienced UHP metamorphism and the rutile-bearing veins are thought to be originated from an internal fluid source, probably by lawsonite dehydration during exhumation. The presence of vein rutile indicates HFSE could be mobilized from host eclogites to veins, which is probably facilitated by complexation with dissolved Na-Al silicates and fluorine-rich fluids. Changes in fluid composition (e.g., F-1, X(CO2)) may trigger the precipitation of rutile. Rutile/fluid partitioning may be the key to fractionating Nb and Ta, with preference for Ta in the fluid, resulting in Nb/Ta ratio of rutile in the veins lower than that in the host eclogite. Besides, the transformation of rutile into titanite also might be an effective mechanism for fractionating Nb from Ta, resulting in the intra-grain Nb-Ta zonations in vein rutile. The Nb-Ta mobility and fractionation can happen during exhumation of the UHP eclogite, which should be very important for understanding the behavior of HFSE in subduction zone metamorphism.

  12. Solid Collection Efforts: Ta Collimator Evaluation

    SciTech Connect

    Gostic, J M

    2011-11-21

    Ta collimator sets that were part of the gated x-ray detector diagnostic (GXD) at NIF were analyzed for debris distribution and damage in 2011. These disks (ranging in thickness from 250 to 750 {mu}m) were fielded approximately 10 cm from target chamber center (TCC) on various symcap, THD and re-emit shots. The nose cone holder and forward Ta collimator (facing target chamber center, TCC) from all shots show evidence of surface melt. Non-destructive analysis techniques such as optical microscopy, surface profilometry, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and x-ray fluorescence (XRF) were used to determine debris composition and degree of deformation associated with each Ta disk. Molten debris from the stainless steel nose cone contaminated the surface of the collimators along with other debris associated with the target assembly (Al, Si, Cu, Au and In). Surface elemental analysis of the forward collimator Ta disks indicates that Au hohlraum debris is less concentrated on these samples versus those fielded 50 cm from TCC in the wedge range filter (WRF) assembly. It is possible that the Au is distributed below or within the stainless steel melt layer covering the disk, as most of the foreign debris is captured in the melted coating. The other disks (fielded directly behind the forward collimator in a sandwiched configuration) have visible forms of deformation and warping. The degree of warping increases as the shock wave penetrates the assembly with the most damage sustained on the back collimator. In terms of developing a solid collection capability, the collimator analyses suggests that close proximity may cause more interference with capsule debris collection and more damage to the surface of the collector diagnostic. The analyses of the Ta collimators were presented to the Target and Laser Interaction Sphere (TaLIS) group; a representative presentation is attached to this document.

  13. Biocompatibility of new Ti-Nb-Ta base alloys.

    PubMed

    Hussein, Abdelrahman H; Gepreel, Mohamed A-H; Gouda, Mohamed K; Hefnawy, Ahmad M; Kandil, Sherif H

    2016-04-01

    β-type titanium alloys are promising materials in the field of medical implants. The effect of β-phase stability on the mechanical properties, corrosion resistance and cytotoxicity of a newly designed β-type (Ti77Nb17Ta6) biocompatible alloys are studied. The β-phase stability was controlled by the addition of small quantities of Fe and O. X-ray diffraction and microstructural analysis showed that the addition of O and Fe stabilized the β-phase in the treated solution condition. The strength and hardness have increased with the increase in β-phase stability while ductility and Young's modulus have decreased. The potentio-dynamic polarization tests showed that the corrosion resistance of the new alloys is better than Ti-6Al-4V alloy by at least ten times. Neutral red uptake assay cytotoxicity test showed cell viability of at least 95%. The new alloys are promising candidates for biomedical applications due to their high mechanical properties, corrosion resistance, and reduced cytotoxicity.

  14. Crystal structure and X-ray photoemission spectroscopic study of A{sub 2}LaMO{sub 6} [A=Ba, Ca; M=Nb, Ta

    SciTech Connect

    Dutta, Alo; Saha, Sujoy; Sinha, T.P.

    2015-09-15

    The X-ray photoemission spectroscopic (XPS) study of the double perovskite oxides A{sub 2}LaMO{sub 6} [A=Ba, Ca; M=Nb, Ta] synthesized by the solid-state reaction technique has been carried out to investigate the nature of the chemical state of the constituent ions and the bonding between them. The Rietveld refinement of the X-ray diffraction patterns suggests the monoclinic crystal structure of all the materials at room temperature. The negative and positive chemical shifts of the core level XPS spectrum of O-1s and Nb-3d{sub 3/2}/Ta-4f{sub 5/2} respectively suggest the covalent bonding between Nb/Ta cations and O ion. The change of the bonding strength between the anion and the cations from one material to another has been analyzed. The vibrational property of the materials is investigated using the room temperature Raman spectra. A large covalency of Ta-based compound than Nb compound is confirmed from the relative shifting of the Raman modes of the materials. - Graphical abstract: Crystal structure of two perovskite oxides CLN and CLT is investigated. XPS study confirms the two different co-ordination environments of Ca and covalent bonding between B-site cations and O-ion. - Highlights: • Ordered perovskite structure obtained by Rietveld refinement of XRD patterns. • Study of nature of chemical bonding by X-ray photoemission spectroscopy. • Opposite chemical shift of d-states of Nb/Ta with respect to O. • Covalent bonding between d-states of Nb/Ta and O. • Relative Raman shifts of CLN and CLT substantiate the more covalent character of Ta than Nb.

  15. Ferromagnetism in chemically reduced LiNbO3 and LiTaO3 crystals

    NASA Astrophysics Data System (ADS)

    Yan, Tao; Ye, Ning; Xu, Liuwei; Sang, Yuanhua; Chen, Yanxue; Song, Wei; Long, Xifa; Wang, Jiyang; Liu, Hong

    2016-05-01

    The ferromagnetism of bulk LiNbO3 and LiTaO3 at room temperature was investigated for the first time in the present work. The stoichiometric LiNbO3 is non-magnetic, while congruent LiNbO3 and LiTaO3 show very weak ferromagnetism. After chemical reduction in a mixture of zinc and lithium carbonate powders under flowing nitrogen, the ferromagnetic behavior of each sample became clear, with an increased value of magnetization. The saturation magnetization, the magnetic remanence and the coercive field of reduced congruent LiNbO3 are 7.0  ×  10‑3 emu g‑1, 0.65  ×  10‑3 emu g‑1 and 0.050 kOe, respectively. The ferromagnetism of chemically reduced LiNbO3 and LiTaO3 can be explained by considering the intrinsic Li vacancies, the appearance of Nb4+ (or Ta4+) on the surface with non-zero net spin and the oxygen vacancies at the surface.

  16. Ductility Characterization of U-6Nb and Ta-W Alloys

    SciTech Connect

    Sun, T; Cervantes, O

    2006-09-15

    We have previously evaluated the ductility behaviors of U-6Nb and pure Ta. One important observation was that both alloys have very stable necking ductility independent of test conditions. In contrast, uniform ductility varied significantly depending upon strain rates and temperatures. In general, higher strain rate and lower temperature reduce the uniform ductility. Using literature data, we have developed two dynamic ductility models to predict the ductility behaviors of pure-Ta and water-quenched U-6Nb respectively under extreme conditions. In this study we further evaluate the aging effect on U-6Nb and the W-addition effect on Ta. For U-6Nb, the objective is to determine whether or not the ductility degradation by low-temperature aging mostly measured in quasi-static condition can still be observed under dynamic loading (high strain rate) condition. For Ta-W alloys, the focus is to identify the key control parameter so that the optimal condition of high-strength/high-ductility of Ta-10W can be achieved for certain defense-related applications.

  17. Synthesis of the new layered oxides NaRbLnMO{sub 5} (Ln = La, Nd, Sm, Eu, Gd; M = Nb, Ta)

    SciTech Connect

    Cavazos, Ronaldo J.; Schak, Raymond E

    2004-07-02

    The new layered transition metal oxides NaRbLnMO{sub 5} (Ln = Nd, Sm, Eu, Gd; M = Nb, Ta) were synthesized by direct solid-state reaction. NaRbLaNbO{sub 5} crystallizes with a tetragonal unit cell [a=5.839(6) A, c=8.313(1) A] analogous to that of the related compound NaKLaNbO{sub 5}, while NaRbLaTaO{sub 5} indexes to a larger monoclinic unit cell [a=9.577(2) A, b=5.834(1) A, c=8.323(2) A, {beta}=93.00(2)]. NaRbLnNbO{sub 5} can be prepared for Ln = Nd, Sm, Eu, Gd, and NaRbLnTaO{sub 5} can be prepared for Ln = Nd, Sm. Both series of compounds show the expected decrease in unit cell volume as the size of the lanthanide decreases. NaRbLaNbO{sub 5} is also amenable to ion exchange, forming Li{sub 2-x}Rb{sub x}LaNbO{sub 5} upon reaction with molten lithium nitrate.

  18. Bone response to a novel Ti-Ta-Nb-Zr alloy.

    PubMed

    Stenlund, Patrik; Omar, Omar; Brohede, Ulrika; Norgren, Susanne; Norlindh, Birgitta; Johansson, Anna; Lausmaa, Jukka; Thomsen, Peter; Palmquist, Anders

    2015-07-01

    Commercially pure titanium (cp-Ti) is regarded as the state-of-the-art material for bone-anchored dental devices, whereas the mechanically stronger alloy (Ti-6Al-4V), made of titanium, aluminum (Al) and vanadium (V), is regarded as the material of choice for high-load applications. There is a call for the development of new alloys, not only to eliminate the potential toxic effect of Al and V but also to meet the challenges imposed on dental and maxillofacial reconstructive devices, for example. The present work evaluates a novel, dual-stage, acid-etched, Ti-Ta-Nb-Zr alloy implant, consisting of elements that create low toxicity, with the potential to promote osseointegration in vivo. The alloy implants (denoted Ti-Ta-Nb-Zr) were evaluated after 7 days and 28 days in a rat tibia model, with reference to commercially pure titanium grade 4 (denoted Ti). Analyses were performed with respect to removal torque, histomorphometry and gene expression. The Ti-Ta-Nb-Zr showed a significant increase in implant stability over time in contrast to the Ti. Further, the histological and gene expression analyses suggested faster healing around the Ti-Ta-Nb-Zr, as judged by the enhanced remodeling, and mineralization, of the early-formed woven bone and the multiple positive correlations between genes denoting inflammation, bone formation and remodeling. Based on the present experiments, it is concluded that the Ti-Ta-Nb-Zr alloy becomes osseointegrated to at least a similar degree to that of pure titanium implants. This alloy is therefore emerging as a novel implant material for clinical evaluation. PMID:25848727

  19. Bone response to a novel Ti-Ta-Nb-Zr alloy.

    PubMed

    Stenlund, Patrik; Omar, Omar; Brohede, Ulrika; Norgren, Susanne; Norlindh, Birgitta; Johansson, Anna; Lausmaa, Jukka; Thomsen, Peter; Palmquist, Anders

    2015-07-01

    Commercially pure titanium (cp-Ti) is regarded as the state-of-the-art material for bone-anchored dental devices, whereas the mechanically stronger alloy (Ti-6Al-4V), made of titanium, aluminum (Al) and vanadium (V), is regarded as the material of choice for high-load applications. There is a call for the development of new alloys, not only to eliminate the potential toxic effect of Al and V but also to meet the challenges imposed on dental and maxillofacial reconstructive devices, for example. The present work evaluates a novel, dual-stage, acid-etched, Ti-Ta-Nb-Zr alloy implant, consisting of elements that create low toxicity, with the potential to promote osseointegration in vivo. The alloy implants (denoted Ti-Ta-Nb-Zr) were evaluated after 7 days and 28 days in a rat tibia model, with reference to commercially pure titanium grade 4 (denoted Ti). Analyses were performed with respect to removal torque, histomorphometry and gene expression. The Ti-Ta-Nb-Zr showed a significant increase in implant stability over time in contrast to the Ti. Further, the histological and gene expression analyses suggested faster healing around the Ti-Ta-Nb-Zr, as judged by the enhanced remodeling, and mineralization, of the early-formed woven bone and the multiple positive correlations between genes denoting inflammation, bone formation and remodeling. Based on the present experiments, it is concluded that the Ti-Ta-Nb-Zr alloy becomes osseointegrated to at least a similar degree to that of pure titanium implants. This alloy is therefore emerging as a novel implant material for clinical evaluation.

  20. Color tone and interfacial microstructure of white oxide layer on commercially pure Ti and Ti-Nb-Ta-Zr alloys

    NASA Astrophysics Data System (ADS)

    Miura-Fujiwara, Eri; Mizushima, Keisuke; Watanabe, Yoshimi; Kasuga, Toshihiro; Niinomi, Mitsuo

    2014-11-01

    In this study, the relationships among oxidation condition, color tone, and the cross-sectional microstructure of the oxide layer on commercially pure (CP) Ti and Ti-36Nb-2Ta-3Zr-0.3O were investigated. “White metals” are ideal metallic materials having a white color with sufficient strength and ductility like a metal. Such materials have long been sought for in dentistry. We have found that the specific biomedical Ti alloys, such as CP Ti, Ti-36Nb-2Ta-3Zr-0.3O, and Ti-29Nb-13Ta-4.6Zr, form a bright yellowish-white oxide layer after a particular oxidation heat treatment. The brightness L* and yellowness +b* of the oxide layer on CP Ti and Ti-36Nb-2Ta-3Zr-0.3O increased with heating time and temperature. Microstructural observations indicated that the oxide layer on Ti-29Nb-13Ta-4.6Zr and Ti-36Nb-2Ta-3Zr-0.3O was dense and firm, whereas a piecrust-like layer was formed on CP Ti. The results obtained in this study suggest that oxide layer coating on Ti-36Nb-2Ta-3Zr-0.3O is an excellent technique for dental applications.

  1. Studies on weldability of Ti?5Ta?1.8Nb alloy

    NASA Astrophysics Data System (ADS)

    Karthikeyan, T.; Dasgupta, Arup; Saroja, S.; Vijayalakshmi, M.; Raghunathan, V. S.

    2004-12-01

    The welding, qualification and characterization of welds of Ti-5Ta-1.8Nb alloy, which is being developed for high corrosion resistant performance, are reported. Based on the studies performed as per the ASME Section IX standards, welding procedure specification and procedure qualification record have been formulated. The heterogeneous microstructures of the weldment are rationalized, based on phase transformation in the alloy system and differences in the thermal cycles of various microscopic regions.

  2. Superconductivity in Y6Tr4Al43 (Tr = Nb, Mo, Ta) with Peanut-Shaped Cage Structure

    NASA Astrophysics Data System (ADS)

    Kase, Naoki; Satoh, Ryoh; Nakano, Tomohito; Takeda, Naoya

    2016-10-01

    Superconductivity is discovered in Y6Tr4Al43 (Tr = Nb, Mo, Ta) with a peanut-shaped cage structure at Tc = 0.86, 0.75, and 0.68 K, respectively. The superconducting state is revealed by performing electrical resistivity and specific heat measurements. The upper critical field is obtained to be 0.22 (Nb), 0.175 (Mo), and 0.15 T (Ta). A specific heat jump provides evidence of bulk superconductivity in these compounds.

  3. Osteoblast cell behavior on the new beta-type Ti-25Ta-25Nb alloy.

    PubMed

    Cimpean, Anisoara; Mitran, Valentina; Ciofrangeanu, Cristina M; Galateanu, Bianca; Bertrand, Emmanuel; Gordin, Doina-Margareta; Iordachescu, Dana; Gloriant, Thierry

    2012-08-01

    Among metallic materials used as bone substitutes, β titanium alloys gain an increasing importance because of their low modulus, high corrosion resistance and good biocompatibility. In this work, an investigation of the in vitro cytocompatibility of a recently new developed β-type Ti-25Ta-25Nb alloy was carried out by evaluating the behavior of human osteoblasts. The metallic Ti-6Al-4V biomaterial, which is one of representative α+β type titanium alloys for biomedical applications, and Tissue Culture Polystyrene (TCPS), were also investigated as reference Ti-based material and control substrate, respectively. Both metallic surfaces were analyzed by X-ray diffraction, atomic force microscopy and X-ray photoelectron spectroscopy. The cellular response was quantified by assessments of viability, cell attachment and spreading, cell morphology, production and extracellular organization of fibronectin and cell proliferation. Polished surfaces from both materials having an equiaxed grain microstructure and nanometre scale surface roughness elicited an essentially identical osteoblast response in terms of all analyzed cellular parameters. Thus, on both surfaces the cells displayed high survival rates, good cell adhesion and spreading, a dense and randomly dispersed fibronectin matrix and increasing cell proliferation rates over the incubation time. Furhermore, the enhanced biological performance of Ti-25Ta-25Nb was highly supported by the results obtained in comparison with TCPS. These findings, together with previously shown superelastic behavior, low Young's modulus and high corrosion resistance, recommend Ti-25Ta-25Nb as good candidate for applications in bone implantology.

  4. Direct Metal Deposition of Refractory High Entropy Alloy MoNbTaW

    NASA Astrophysics Data System (ADS)

    Dobbelstein, Henrik; Thiele, Magnus; Gurevich, Evgeny L.; George, Easo P.; Ostendorf, Andreas

    Alloying of refractory high entropy alloys (HEAs) such as MoNbTaW is usually done by vacuum arc melting (VAM) or powder metallurgy (PM) due to the high melting points of the elements. Machining to produce the final shape of parts is often needed after the PM process. Casting processes, which are often used for aerospace components (turbine blades, vanes), are not possible. Direct metal deposition (DMD) is an additive manufacturing technique used for the refurbishment of superalloy components, but generating these components from the bottom up is also of current research interest. MoNbTaW possesses high yield strength at high temperatures and could be an alternative to state-of-the-art materials. In this study, DMD of an equimolar mixture of elemental powders was performed with a pulsed Nd:YAG laser. Single wall structures were built, deposition strategies developed and the microstructure of MoNbTaW was analyzed by back scattered electrons (BSE) and energy dispersive X-ray (EDX) spectroscopy in a scanning electron microscope. DMD enables the generation of composition gradients by using dynamic powder mixing instead of pre-alloyed powders. However, the simultaneous handling of several elemental or pre-alloyed powders brings new challenges to the deposition process. The influence of thermal properties, melting point and vapor pressure on the deposition process and chemical composition will be discussed.

  5. Resistivity plateau and extremely large magnetoresistance in NbAs2 and TaAs2

    NASA Astrophysics Data System (ADS)

    Wang, Yi-Yan; Yu, Qiao-He; Guo, Peng-Jie; Liu, Kai; Xia, Tian-Long

    2016-07-01

    In topological insulators (TIs), metallic surface conductance saturates the insulating bulk resistance with decreasing temperature, resulting in resistivity plateau at low temperatures as a transport signature originating from metallic surface modes protected by time reversal symmetry (TRS). Such a characteristic has been found in several materials including Bi2Te2Se , SmB6 etc. Recently, similar behavior has been observed in metallic compound LaSb, accompanying an extremely large magnetoresistance (XMR). Shubnikov-de Hass (SdH) oscillation at low temperatures further confirms the metallic behavior of the plateau region under magnetic fields. LaSb [Tafti et al., Nat. Phys. 12, 272 (2015), 10.1038/nphys3581] has been proposed by the authors as a possible topological semimetal (TSM), while negative magnetoresistance is absent at this moment. Here, high quality single crystals of NbAs2/TaAs2 with inversion symmetry have been grown, and the resistivity under magnetic field is systematically investigated. Both of them exhibit metallic behavior under zero magnetic field, and a metal-to-insulator transition occurs when a nonzero magnetic field is applied, resulting in XMR (1.0 ×105% for NbAs2 and 7.3 ×105% for TaAs2 at 2.5 K and 14 T). With temperature decreased, a resistivity plateau emerges after the insulatorlike regime, and SdH oscillation has also been observed in NbAs2 and TaAs2.

  6. MRI-compatible Nb-60Ta-2Zr alloy for vascular stents: Electrochemical corrosion behavior in simulated plasma solution.

    PubMed

    Li, Hui-Zhe; Zhao, Xu; Xu, Jian

    2015-11-01

    Using revised simulated body fluid (r-SBF), the electrochemical corrosion behavior of an Nb-60Ta-2Zr alloy for MRI compatible vascular stents was characterized in vitro. As indicated by XPS analysis, the surface passive oxide film of approximately 1.3nm thickness was identified as a mixture of Nb2O5, Ta2O5 and ZrO2 after immersion in the r-SBF. The Nb-60Ta-2Zr alloy manifests a low corrosion rate and high polarization resistance similar to pure Nb and Ta, as shown by the potentiodynamic polarization curves and EIS. Unlike 316L stainless steel and the L605 Co-Cr alloy, no localized corrosion has been detected. Semiconducting property of passive film on the Nb-60Ta-2Zr alloy was identified as the n-type, with growth mechanism of high-field controlled growth. The excellent corrosion resistance in simulated human blood enviroment renders the Nb-60Ta-2Zr alloy promising as stent candidate material.

  7. Large magnetoresistance in compensated semimetals TaAs2 and NbAs2

    NASA Astrophysics Data System (ADS)

    Yuan, Zhujun; Lu, Hong; Liu, Yongjie; Wang, Junfeng; Jia, Shuang

    2016-05-01

    We report large magnetoresistance (MR) at low temperatures in single-crystalline nonmagnetic compounds TaAs2 and NbAs2. Both compounds exhibit parabolic-field-dependent MR larger than 5 ×103 in a magnetic field of 9 Tesla at 2 K. The MR starts to deviate from parabolic dependence above 10 T and intends to be saturated in 45 T for TaAs2 at 4.2 K. The Hall resistance measurements and band structure calculations reveal their compensated semimetal characteristics. Their large MR at low temperatures is ascribed to an effect for compensation of electrons and holes with large mobilities. After discussing the MR for different samples of TaAs2 and other semimetals, we found that the magnitudes of MR are strongly dependent on the samples' quality for different compounds.

  8. Synthesis and characterization of homo- and heterobimetallic niobium{sup v} and tantalum{sup v} peroxo-polyaminocarboxylato complexes and their use as single or multiple molecular precursors for Nb-Ta mixed oxides

    SciTech Connect

    Bayot, Daisy . E-mail: devillers@chim.ucl.ac.be

    2005-09-15

    New water-soluble bimetallic peroxo complexes of niobium{sup V} and/or tantalum{sup V} with high-denticity polyaminocarboxylate ligands have been prepared, characterized from the spectroscopic point of view, and used as molecular precursors for Nb-Ta mixed oxides. Four new homobimetallic complexes (gu){sub 3}[Nb{sub 2}(O{sub 2}){sub 4}(dtpaO{sub 3})].3H{sub 2}O 1 (gu){sub 3}[Ta{sub 2}(O{sub 2}){sub 4}(dtpaO{sub 3})].5H{sub 2}O 2 (gu){sub 3}[Nb{sub 2}(O{sub 2}){sub 4}(HtthaO{sub 4})].2H{sub 2}O 4 and (gu){sub 3}[Ta{sub 2}(O{sub 2}){sub 4}(HtthaO{sub 4})].3H{sub 2}O 5 and the corresponding heterometallic complexes (gu){sub 3}[NbTa(O{sub 2}){sub 4}(dtpaO{sub 3})].2.5H{sub 2}O 3 and (gu){sub 3}[NbTa(O{sub 2}){sub 4}(HtthaO{sub 4)}].2H{sub 2}O 6 have been obtained. In these compounds, the in situ oxidation of the nitrogen atoms of the PAC ligands into N-oxide groups has been evidenced by IR spectroscopy and mass spectrometry. The thermal treatment of the homonuclear complexes in air at 700 or 800 deg. C, depending on the Ta content, provided Nb{sub 2}O{sub 5} or Ta{sub 2}O{sub 5} while the heteronuclear compounds led to the solid solution TaNbO{sub 5}. BET and SEM measurements have been carried out and comparison of the morphology of the samples prepared from homo- and heterometallic precursors is discussed.

  9. Direct Electrolytic Reduction of Solid Ta2O5 to Ta with SOM Process

    NASA Astrophysics Data System (ADS)

    Chen, Chaoyi; Yang, Xiaqiong; Li, Junqi; Lu, Xionggang; Yang, Shufeng

    2016-06-01

    A process that uses the solid-oxide-oxygen-ion conducting membrane has been investigated to produce tantalum directly from solid Ta2O5 in molten CaCl2 or a molten mixture of 55.5MgF2-44.5CaF2 (in wt pct). The sintered porous Ta2O5 pellet was employed as the cathode, while the liquid copper alloy, saturated with graphite powder and encased in a one-end-closed yttria-stabilized-zirconia (YSZ) tube, acted as the anode. The electrolysis potential in this method is higher than that of the Fray-Farthing-Chen Cambridge process because the YSZ membrane tube blocks the melts to electrolyze, and only Ta2O5 is will be electrolyzed. The microstructures of reduced pellets and a cyclic voltammogram of solid Ta2O5 in molten CaCl2 were analyzed. In addition, the influence of particle size and porosity of the cathode pellets on metal-oxide-electrolyte, three-phase interlines was also discussed. The results demonstrate that the sintering temperature of cathode pellets and electrolytic temperature play important roles in the electrochemical process. Furthermore, this process can be used to produce Ta metal efficiently without the expensive cost of pre-electrolysis and generation of harmful by-products.

  10. HFSE Processing During Subduction and the Consequences for Nb/Ta and Zr/Hf Ratios in the Mantle

    NASA Astrophysics Data System (ADS)

    Pfänder, J. A.; Jung, S.; Münker, C.; Stracke, A.; Mezger, K.

    2008-12-01

    High-precision (MC-ICP-MS) Nb-Ta concentration ratios in Silicate Earth reservoirs (mantle and crust) are consistently sub-chondritic (<19.9; Münker et al., 2003). Various models have been proposed to explain this observation and include hidden reservoirs in the silicate Earth or Nb fractionation into the metal core. Nb becomes siderophile at high pressure and thus the core is a potential reservoir for the missing Nb (Wade & Wood, 2001). This model implies Nb depletion of the silicate portion of the Earth soon after, or even during accretion by a selective, pressure driven partitioning of Nb into the metal phase. As a consequence the bulk-silicate Earth acquired a Nb/Ta ratio of ~14 instead of ~20 as suggested by chondrites (Münker et al., 2003). In contrast, Zr/Hf likely remained chondritic (~35). As shown by the correlated Nb/Ta - Zr/Hf array (terrestrial fractionation array), subsequent second-order silicate differentiation that generated Earth's crust and mantle fractionated Nb/Ta concomitantly with Zr/Hf and produced complementary reservoirs with respect to Nb/Ta (crust ~12-13; mantle ~16). Although the mechanisms that fractionate Nb/Ta are poorly understood, a key role is attributed to the processes taking place during subduction of oceanic lithosphere, i.e. fractionation during dehydration and partial melting of eclogite or garnet amphibolite in the presence of Ti-phases with high D-values for the HFSE. Some hotspot lavas bear signatures of eclogite derived melts in that they have slightly higher Nb/Ta but lower Lu/Hf ratios than expected from melting of primitive mantle peridotite independent of whether rutile is present in the eclogitic residue or not. Eclogite melting, however, is not suitable to explain low Nb/Ta in the continental crust. Therefore, significant portions of the continental crust may have been produced early in Earth's history by amphibolite dominated melting in subduction zones or within thickened Archean mafic crust, as melts in

  11. Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

    DOE PAGES

    von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing; Klimczuk, Tomasz; Cava, Robert Joseph

    2016-11-01

    High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellentmore » intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials.« less

  12. Evidence of Nb-Ta mobility in high temperature F-rich fluids evidenced by the La Bosse quartz-Nb-ferberite stockwork (Echassières, French Massif Central).

    NASA Astrophysics Data System (ADS)

    Marignac, C.; Cuney, M.

    2012-04-01

    In the Echassières district (northern French Massif Central), the 310 Ma Beauvoir granite (a P-rich peraluminous RMG) overprints a quartz-ferberite stockwork. The 900 m-deep GPF1 scientific hole shows that the stockwork is split into two parts by the gently dipping Beauvoir intrusion: the upper section (~ 100m thick) occurs in the La Bosse quarry, , and the lower section (≥ 60 m thick) below the granite floor. The root of the stockwork (hypothetic La Bosse granite) has not been reached. The stockwork comprises flat-lying quartz veins (≤ 0.6 m thick) concordant to the regional schistosity of surrounding micaschists, and steep N10-N50°E quartz veins (≤ 0.2 m thick). The two sets result from hydraulic fracturing, and consistently display crack seal features. A family of aplites and aplo-pegmatites dikes follow the same set of fractures, being either later (with partial dissolution of pre-existing quartz veins) or earlier, than the quartz veins. There is no alteration, nor associated mineral other than ferberite, at the La Bosse quarry, whereas micaceous selvages are observed in the lower section. Ferberite display a trend of ferberite enrichment with increasing depth (0.71 to 0.95 Fb mole%). In the La Bosse quarry, three ferberite habitus are present: acicular, lanceolate and prismatic. Acicular crystals are typically nicely zoned, with alternating Nb-rich (4.95±0.94 % Nb2O5) and Nb-poor (1.57±0.38 % Nb2O5) growth bands. Ta (up to 0.30 Ta2O5), Ti and Sn are also enriched in the Nb-rich bands. Nb and Ta incorporation into the ferberite is in the form of columbite, as either true solid solution or nanoinclusions. Lanceolate crystals have a similarly zoned acicular core and a Nb-poor rim (1.08±0.66 % Nb2O5). Prismatic crystals are unzoned and Nb-poor (0.67±0.20 % Nb2O5). In the lower part of the stockwork, the Nb contents are lower (2.17 % Nb2O5 in the Nb-rich bands, 1.36 % in the Nb-poor bands, 0.08 % in the unzoned cortex, 0.15 % in the unzoned prisms

  13. Homoatomic clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): a story of reluctant intermetallics crystallizing in a new binary structure type.

    PubMed

    Fredrickson, Rie T; Kilduff, Brandon J; Fredrickson, Daniel C

    2015-02-01

    In the formation of binary compounds, heteroatomic interactions are generally expected to play the leading role in providing stability. In this Article, we present a series of gallides, T(4)Ga(5) (T = Ta, Nb, and Ta/Mo), which appear to defy this expectation. Their complex crystal structures represent a new binary structure type (to the best of our knowledge),, which can be visualized in terms of a host lattice of T@T(8) body centered cubic (bcc) clusters linked through face-capping Ga(2) dumbbells to form a primitive cubic framework. The cubic spaces that result are alternately filled by distorted T pentagonal dodecahedra (sharing atoms with the host lattice) and dimers of bcc fragments, leading to a √2 × √2 × 2 supercell of the host framework structure. Ga tetrahedra and icosahedral units fill the remaining void spaces. Underlying these structural features is a strong tendency for homoatomic clustering of Ta and Ga, which is evident in all of the coordination polyhedra. Electronic structure calculations using density functional theory (DFT) and DFT-calibrated Hückel models reveal possible origins for this elemental segregation and the factors stabilizing the structure as a whole. A deep pseudogap is present at the Fermi energy of Ta(4)Ga(5) (as well as at that of Nb(4)Ga(5)), corresponding to the near-optimization of Ta-Ta and Ta-Ga interactions. This pseudogap emerges as a result of the ability of extensive Ta-Ta bonding to provide local 18-electron configurations to the Ta atoms, despite the electron concentration being only 8.75 electrons per Ta atom. Support for these Ta-Ta interactions is provided by Ga bridging atoms, whose valence orbitals' low number of angular nodes confers preferential stabilization to Ta-Ta bonding functions over antibonding ones. The observed spatial separation of the structure into Ta and Ga domains occurs as a consequence of the Ga atoms being pushed toward the periphery of the Ta clusters to play this supporting role. PMID

  14. [Research and Application of the ICP-MS Detection Technology for the Content of Nb and Ta in Geochemical Sample].

    PubMed

    Li, Zi-qiang; Li, Xiao-ying; Zhu, Kun; Xu, Xiao-xia; Yan, Zhi-yuan

    2015-08-01

    In order to provide the test analysis technology to support the exploration and development of niobium and tantalum resource, based on the special chemical properties of Nb and Ta in geochemical sample, we studied the detection methods for the content of Nb and Ta in geochemical sample by using inductively coupled plasma mass spectrometry (ICP-MS). The results show that the sample dissolution and instrumental parameter of ICP-MS, especially the former have significant influence? on detection results. Therefore, optimizing important parameters of sample dissolution is the key of the detection technology. The optimal parameters are that the weight of sample is 50 mg; the dosage of HF acid is 15 mL; the concentration of nitric acid and tartaric acid in the sample solution is 2% and 1.5%, respectively; the validity period of detection for sample solution ≤1 d. The detection method has been validated by the national geochemistry standard reference material. The precise and exaction of method meet the required of industry standards. The detection limits of method for Nb and Ta are 1.05 and 0.13 μg · g(-1), respectively. The experiment proved that the ICP-MS detection methods, which using certain preparation process of sample solutions, is suitable for accurate and rapid determination of Nb and Ta in geochemical sample, especially geochemical survey samples which with a large amount and low content of Nb and Ta. PMID:26672313

  15. Single crystal structure and SHG of defect pyrochlores CsBVMoO6 (BV=Nb,Ta)

    NASA Astrophysics Data System (ADS)

    Fukina, D. G.; Suleimanov, E. V.; Yavetskiy, R. P.; Fukin, G. K.; Boryakov, A. V.; Borisov, E. N.; Borisov, E. V.; Surodin, S. I.; Saharov, N. V.

    2016-09-01

    The crystal structure and non-linear optical properties of CsNbMoO6 and CsTaMoO6 defect pyrochlores have been studied. The single crystals of these compounds grown by the flux method possess an octahedral faceting and reach up to 50 μm in size. The crystal structures of CsBVMoO6 (BV=Nb, Ta) were investigated by X-ray diffraction method. Both compounds crystallize in the cubic symmetry with noncentrosymmetric space group F-43m. The second harmonic generation of CsNbMoO6 and CsTaMoO6was found to be 1.6×10-2 and 8.5×10-4 of lithium niobate, correspondingly. It has been determined that distortions of [MO6] polyhedra (M=Nb, Ta, Mo) as well as polarizability and covalency of Nb-O and Ta-O bonds have a great effect on the second harmonic generation.

  16. Evidence of Nb-Ta mobility in high temperature F-rich fluids evidenced by the La Bosse quartz-Nb-ferberite stockwork (Echassières, French Massif Central).

    NASA Astrophysics Data System (ADS)

    Marignac, C.; Cuney, M.

    2012-04-01

    In the Echassières district (northern French Massif Central), the 310 Ma Beauvoir granite (a P-rich peraluminous RMG) overprints a quartz-ferberite stockwork. The 900 m-deep GPF1 scientific hole shows that the stockwork is split into two parts by the gently dipping Beauvoir intrusion: the upper section (~ 100m thick) occurs in the La Bosse quarry, , and the lower section (≥ 60 m thick) below the granite floor. The root of the stockwork (hypothetic La Bosse granite) has not been reached. The stockwork comprises flat-lying quartz veins (≤ 0.6 m thick) concordant to the regional schistosity of surrounding micaschists, and steep N10-N50°E quartz veins (≤ 0.2 m thick). The two sets result from hydraulic fracturing, and consistently display crack seal features. A family of aplites and aplo-pegmatites dikes follow the same set of fractures, being either later (with partial dissolution of pre-existing quartz veins) or earlier, than the quartz veins. There is no alteration, nor associated mineral other than ferberite, at the La Bosse quarry, whereas micaceous selvages are observed in the lower section. Ferberite display a trend of ferberite enrichment with increasing depth (0.71 to 0.95 Fb mole%). In the La Bosse quarry, three ferberite habitus are present: acicular, lanceolate and prismatic. Acicular crystals are typically nicely zoned, with alternating Nb-rich (4.95±0.94 % Nb2O5) and Nb-poor (1.57±0.38 % Nb2O5) growth bands. Ta (up to 0.30 Ta2O5), Ti and Sn are also enriched in the Nb-rich bands. Nb and Ta incorporation into the ferberite is in the form of columbite, as either true solid solution or nanoinclusions. Lanceolate crystals have a similarly zoned acicular core and a Nb-poor rim (1.08±0.66 % Nb2O5). Prismatic crystals are unzoned and Nb-poor (0.67±0.20 % Nb2O5). In the lower part of the stockwork, the Nb contents are lower (2.17 % Nb2O5 in the Nb-rich bands, 1.36 % in the Nb-poor bands, 0.08 % in the unzoned cortex, 0.15 % in the unzoned prisms

  17. Structural evolution in Ni-Nb and Ni-Nb-Ta liquids and glasses - A measure of liquid fragility?

    SciTech Connect

    Mauro, N. A.; Johnson, M. L.; Bendert, J. C.; Kelton, K. F.

    2013-01-07

    The structures of Ni59.5Nb40.5, Ni62Nb38, and Ni60Nb30Ta10 liquids and glasses were studied using synchrotron high-energy X-ray diffraction. To avoid reactions between the liquids and their containers and to deeply supercool them below their equilibrium liquidus temperatures, the liquids were processed without a container using the beamline electrostatic levitation (BESL) technique. The total static structure factor, S(q), and the total pair-correlation function, g(r), were obtained for all liquid compositions over a temperature range of approximately 250 °C; S(q) and g(r) were measured for the corresponding glasses at room temperature. All of the S(q)s have a shoulder on the high-q side of the second peak; this becomes more pronounced as the liquid is supercooled, and is most prominent in the glass. Based on a Honeycutt–Andersen analysis of the atomic configurations obtained from Reverse Monte Carlo fits to the total structure factors obtained from the scattering data, icosahedral short-range order (ISRO) is dominant in all liquids and becomes particularly pronounced in the glasses. No correlation is noted, however, between the amount of ISRO and easy glass formability. Structural features show evidence for an acceleration of ordering in the supercooled liquid above the glass transition temperature, consistent with the behavior expected for fragile liquids. This suggests that scattering data can provide a new method to assess liquid fragility, which is typically obtained from the temperature behavior of the viscosity near the glass transition temperature.

  18. The structural and electronic properties of cubic AgMO3 (M=Nb, Ta) by first principles calculations

    NASA Astrophysics Data System (ADS)

    Prasad, K. Ganga; Niranjan, Manish K.; Asthana, Saket

    2016-05-01

    We report the electronic structure of the AgMO3(M=Nb, Ta) within the frame work of density functional theory and calculations are performed within the generalized gradient approximation (GGA) by using ultrasoft pseudopotentials. The calculated equilibrium lattice parameters and volumes are extracted from fitting of Birch third order equation of state and which are reasonable agreement with the available experimental results. The density of states,band structure of Ag(Nb,Ta)O3 reveals that the valance bands mostly occupied with O-2p and O-2s states and whereas conduction band occupied with Nb (Ta) 4d(5d) states including less contribution from Ag 5s states.

  19. Texture Evolution in a Ti-Ta-Nb Alloy Processed by Severe Plastic Deformation

    NASA Astrophysics Data System (ADS)

    Cojocaru, Vasile-Danut; Raducanu, Doina; Gloriant, Thierry; Cinca, Ion

    2012-05-01

    Titanium alloys are extensively used in a variety of applications because of their good mechanical properties, high biocompatibility, and corrosion resistance. Recently, β-type Ti alloys containing Ta and Nb have received much attention because they feature not only high specific strength but also biocorrosion resistance, no allergic problems, and biocompatibility. A Ti-25Ta-25Nb β-type titanium alloy was subjected to severe plastic deformation (SPD) processing by accumulative roll bonding and investigated with the aim to observe the texture developed during SPD processing. Texture data expressed by pole figures, inverse pole figures, and orientation distribution functions for the (110), (200), and (211) β-Ti peaks were obtained by XRD investigations. The results showed that it is possible to obtain high-intensity share texture modes ({001}<110>) and well-developed α and γ-fibers; the most important fiber is the α-fiber ({001} < {1bar{1}0} > to {114} < {1bar{1}0} > to {112} < {1bar{1}0} > ). High-intensity texture along certain crystallographic directions represents a way to obtain materials with high anisotropic properties.

  20. Microstructure and mechanical properties of Ti-35Nb-6Ta alloy after thermomechanical treatment

    SciTech Connect

    Malek, J.; Hnilica, F.; Vesely, J.; Smola, B.; Bartakova, S.; Vanek, J.

    2012-04-15

    The influence of thermo-mechanical treatment on microstructure and mechanical properties of T-35Nb-6Ta has been studied. The thermo-mechanical treatment was chosen to correspond to the production of wire with suitable mechanical properties for dental implants. After casting the alloy was hot forged (700-900 Degree-Sign C), solution treated (850 Degree-Sign C/30 min, water quenched) and cold swaged (reductions up to 91%). The annealing (700 Degree-Sign C/3 h/furnace) or aging (450 Degree-Sign C/8 h/furnace) was used as final heat treatment. The microstructure was studied by using light microscopy, scanning electron microscopy, transmission electron microscopy and XRD analysis. Cold swaging introduces microstructure consisting of highly deformed {beta}-phase grains with dislocation tangles and twins, which ensures high tensile strength about 820 MPa, low Young's modulus ({approx} 50 GPa) and good ductility {approx} 10%. Subsequent aging increases tensile strength (1000 MPa) as well as Young's modulus (75 GPa) without diminishing ductility. Annealing at 700 Degree-Sign C slightly decreases tensile strength (730 MPa) and increases the ductility and Young's modulus (17% and 62 GPa respectively). The mechanical properties attained recommend the thermo-mechanical treatment for production of wires for dental implants. - Highlights: Black-Right-Pointing-Pointer Ti35Nb6Ta alloy prepared via arc melting. Black-Right-Pointing-Pointer Thermo mechanical treatment. Black-Right-Pointing-Pointer Microstructural changes. Black-Right-Pointing-Pointer Mechanical properties.

  1. Weldability and microstructural variations in weldments of Ti-5Ta-1.8Nb alloy

    NASA Astrophysics Data System (ADS)

    Karthikeyan, T.; Dasgupta, Arup; Saroja, S.; Vijayalakshmi, M.

    2005-04-01

    The successful replacement of the present generation of corrosion-resistant materials (nitric acid-grade stainless steel and Ti) by Ti-5Ta-1.8Nb, which has better corrosion resistance, depends on its weldability characteristics. This article presents the results of a study on the fabrication, qualification, and microstructural characterization of the welds. Welding was carried out using the direct current electrode negative (DCEN) polarity tungsten inert gas (TIG) (manual) welding method with high-purity Ar shielding. Testing was carried out as per the ASME standard (section IX, welding and brazing). Qualification tests found that the weldment met the required properties. The weldment showed heterogeneous microstructures, which are rationalized based on differences in phase transformation mechanisms that are dictated by the thermal cycles experienced by various microscopic regions. The results, described in this article, confirm that the weldability of the developmental Ti-Ta-Nb alloy is excellent. A preliminary evaluation of the corrosion behavior of the welds showed rates comparable to that of the base metal, establishing that this alloy could be considered as an alternative material for use in highly corrosive environments.

  2. High Nb, Ta, and Al creep- and oxidation-resistant austenitic stainless steel

    DOEpatents

    Brady, Michael P [Oak Ridge, TN; Santella, Michael L [Knoxville, TN; Yamamoto, Yukinori [Oak Ridge, TN; Liu, Chain-tsuan [Oak Ridge, TN

    2010-07-13

    An austenitic stainless steel HTUPS alloy includes, in weight percent: 15 to 30 Ni; 10 to 15 Cr; 2 to 5 Al; 0.6 to 5 total of at least one of Nb and Ta; no more than 0.3 of combined Ti+V; up to 3 Mo; up to 3 Co; up to 1 W; up to 0.5 Cu; up to 4 Mn; up to 1 Si; 0.05 to 0.15 C; up to 0.15 B; up to 0.05 P; up to 1 total of at least one of Y, La, Ce, Hf, and Zr; less than 0.05 N; and base Fe, wherein the weight percent Fe is greater than the weight percent Ni wherein said alloy forms an external continuous scale comprising alumina, nanometer scale sized particles distributed throughout the microstructure, said particles comprising at least one composition selected from the group consisting of NbC and TaC, and a stable essentially single phase fcc austenitic matrix microstructure, said austenitic matrix being essentially delta-ferrite-free and essentially BCC-phase-free.

  3. Effect of annealing on atomic ordering of amorphous ZrTaTiNbSi alloy

    NASA Astrophysics Data System (ADS)

    Yang, Tsung-Han; Huang, Rong-Tang; Wu, Cheng-An; Chen, Fu-Rong; Gan, Jon-Yiew; Yeh, Jien-Wei; Narayan, Jagdish

    2009-12-01

    In this letter, we have reported on initial stages of atomic ordering in ZrTaTiNbSi amorphous films during annealing. The atomic ordering and structure evolution were studied in Zr17Ta16Ti19Nb22Si26 amorphous films as a function of annealing temperature in the temperature range from 473 to 1173 K. Up to annealing temperature of 1173 K, the films retained amorphous structure, but the degree of disorder is increased with the increase in temperature. The formation of Si-M covalent bonds, which contributed to the local atomic arrangement, occurred in the initial stages of ordering. The bonding reactions between Si and other metal species explain the anomalous structural changes which were observed in x-ray diffraction and transmission electron microscopy. We discuss the stages of phase transformation for amorphous films as a function of annealing temperature. From these results, we propose that annealing leads to formation of random Si-M4 tetrahedron, and two observed rings, a first and second in the electron diffraction patterns compared to M-M and Si-M bond length, respectively.

  4. Osseointegration behavior of novel Ti-Nb-Zr-Ta-Si alloy for dental implants: an in vivo study.

    PubMed

    Wang, Xiaona; Meng, Xing; Chu, Shunli; Xiang, Xingchen; Liu, Zhenzhen; Zhao, Jinghui; Zhou, Yanmin

    2016-09-01

    This study aimed to evaluate the effects of Ti-Nb-Zr-Ta-Si alloy implants on mineral apposition rate and new BIC contact in rabbits. Twelve Ti-Nb-Zr-Ta-Si alloy implants were fabricated and placed into the right femur sites in six rabbits, and commercially pure titanium implants were used as controls in the left femur. Tetracycline and alizarin red were administered 3 weeks and 1 week before euthanization, respectively. At 4 weeks and 8 weeks after implantation, animals were euthanized, respectively. Surface characterization and implant-bone contact surface analysis were performed by using a scanning electron microscope and an energy dispersive X-ray detector. Mineral apposition rate was evaluated using a confocal laser scanning microscope. Toluidine blue staining was performed on undecalcified sections for histology and histomorphology evaluation. Scanning electron microscope and histomorphology observation revealed a direct contact between implants and bone of all groups. After a healing period of 4 weeks, Ti-Nb-Zr-Ta-Si alloy implants showed significantly higher mineral apposition rate compared to commercially pure titanium implants (P < 0.05), whereas there was no significant difference between Ti-Nb-Zr-Ta-Si alloy implants and commercially pure titanium implants (P > 0.05) at 8 weeks. No significant difference of bone-to-implant contact was observed between Ti-Nb-Zr-Ta-Si alloy implants and commercially pure titanium implants implants after a healing period of 4 weeks and 8 weeks. This study showed that Ti-Nb-Zr-Ta-Si alloy implants could establish a close direct contact comparedto commercially pure titanium implants implants, improved mineral matrix apposition rate, and may someday be an alternative as a material for dental implants. PMID:27534399

  5. Prediction of A2 to B2 Phase Transition in the High Entropy Alloy Mo-Nb-Ta-W

    NASA Astrophysics Data System (ADS)

    Huhn, William; Widom, Michael

    2014-03-01

    In this talk we show that an effective Hamiltonian fit with first principles calculations predicts an order/disorder transition occurs in the high entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolset, we find T=0K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures a B2 phase is stabilized in Mo-Nb-Ta-W. Our ``hybrid Monte Carlo/molecular dynamics'' results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest neighbor bonds will be presented, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. Comparison of the free energy model and our MC/MD results suggest the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases. We would like to thank DOD-DTRA for funding this research under contract number DTRA-11-1-0064.

  6. Quantifying the electron donor and acceptor ability of the ketimide ligands in M(N=CtBu2)4 (M = V, Nb, Ta)

    PubMed Central

    Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.

    2015-01-01

    Addition of 4 equiv of Li(N=CtBu2) to VCl3 in THF, followed by addition of 0.5 equiv I2, generates the homoleptic V(IV) ketimide complex, V(N=CtBu2)4 (1), in 42% yield. Similarly, reaction of 4 equiv of Li(N=CtBu2) with NbCl4(THF)2 in THF affords the homoleptic Nb(IV) ketimide complex, Nb(N=CtBu2)4 (2), in 55% yield. Seeking to extend the series to the tantalum congener, a new Ta(IV) starting material, TaCl4(TMEDA) (3), was prepared via reduction of TaCl5 with Et3SiH, followed by addition of TMEDA. Reaction of 3 with 4 equiv of Li(N=CtBu2) in THF results in a isolation of a Ta(V) ketimide complex, Ta(Cl)(N=CtBu2)4 (5), which can be isolated in 32% yield. Reaction of 5 with Tl(OTf) yields Ta(OTf)(N=CtBu2)4 (6) in 44% yield. Subsequent reduction of 6 with Cp*2Co in toluene generates the homoleptic Ta(IV) congener Ta(N=CtBu2)4 (7), although the yields are poor. All three homoleptic Group 5 ketimide complexes exhibit squashed tetrahedral geometries in the solid state, as determined by X-ray crystallography. This geometry leads to a dx2−y21 (2B1 in D2d) ground state, as supported by DFT calculations. EPR spectroscopic analysis of 1 and 2, performed at X- and Q-band frequencies (~9 and 35 GHz, respectively), further supports the 2B1 ground state assignment, while comparison of 1, 2, and 7 with related Group 5 tetra(aryl), tetra(amido) and tetra(alkoxo) complexes shows a higher M-L covalency in the ketimide-metal interaction. In addition, a ligand field analysis of 1 and 2 demonstrates that the ketimide ligand is both a strong π-donor and strong π-acceptor, an unusual combination found in very few organometallic ligands. PMID:26419513

  7. Photocatalytic removal of organic pollutants in aqueous solution by Bi(4)Nb(x)Ta((1-x))O(8)I.

    PubMed

    Hu, Xing-Yun; Fan, Jing; Zhang, Ke-Lei; Wang, Jian-Ji

    2012-06-01

    In this work, Bi(4)Nb(x)Ta((1-x))O(8)I photocatalysts have been synthesized by solid state reaction method and characterized by powder X-ray diffraction, scanning electron microscope and UV-Vis near infrared diffuse reflectance spectroscopy. The photocatalytic activity of these photocatalysts was evaluated by the degradation of methyl orange (MO) in aqueous solutions under visible light, UV light and solar irradiation. The effects of catalyst dosage, initial pH and MO concentration on the removal efficiency were studied, and the photocatalytic reaction kinetics of MO degradation as well. The results indicated that Bi(4)Nb(x)Ta((1-x))O(8)I exhibited high photocatalytic activity for the removal of MO in aqueous solutions. For example, the removal efficiency of MO by Bi(4)Nb(0.1)Ta(0.9)O(8)I was as high as 92% within 12 h visible light irradiation under the optimal conditions: initial MO concentration of 5-10 mg L(-1), catalyst dosage of 6 g L(-1) and natural pH (6-8), the MO molecules could be completely degradated by Bi(4)Nb(0.1)Ta(0.9)O(8)I within 40 min under UV light irradiation, and the photodegradation efficiency reaches to 60% after 7 h solar irradiation. Furthermore, the photocatalytic degradation of Bisphenol A (BPA) was also investigated under visible light irradiation. It is found that 99% BPA could be mineralized by Bi(4)Nb(0.1)Ta(0.9)O(8)I after 16 h visible light irradiation. Through HPLC/MS, BOD, TOC, UV-Vis measurements, we determined possible degradation products of MO and BPA. The results indicated that MO was degradated into products which are easier to be biodegradable and innocuous treated, and BPA could be mineralized completely. Furthermore, the possibility for the photosensitization effect in the degradation process of MO under visible light irradiation has been excluded. PMID:22386458

  8. Synthesis, Characterization and Properties of Ca5A2TiO12 (A=Nb, Ta) Ceramic Dielectric Materials for Applications in Microwave Telecommunication Systems

    NASA Astrophysics Data System (ADS)

    Bijumon, Pazhoor Varghese; Mohanan, Pezholil; Sebastian, Mailadil Thomas

    2002-06-01

    Microwave ceramic dielectric materials Ca5Nb2TiO12 and Ca5Ta2TiO12 have been prepared by a conventional solid-state ceramic process. The structure was studied by X-ray diffraction and the dielectric properties were characterized at microwave frequencies. The ceramics posses a relatively high dielectric constant, very low dielectric loss (Qu× f> 30000 GHz) and small temperature variation of resonant frequency. These materials are potential candidates for dielectric resonator applications in microwave integrated circuits.

  9. Nb-Ta-Ti oxides fractionation in rare-metal granites: Krásno-Horní Slavkov ore district, Czech Republic

    NASA Astrophysics Data System (ADS)

    René, Miloš; Škoda, Radek

    2011-11-01

    Nb-Ta-Ti-bearing oxide minerals (Nb-Ta-bearing rutile, columbite-group minerals) represent the most common Nb-Ta host in topaz-albite granites and related rocks from the Krásno-Horní Slavkov ore district. Tungsten-bearing columbite-(Fe), W-bearing ixiolite, wodginite and tapiolite-(Fe) are extremely rare in these rocks. Rutile contains significant levels of Ta (up to 37 wt.% Ta2O5) and Nb (up to 24 wt.% Nb2O5), with Ta/(Ta + Nb) ratio ranging from 0.04 to 0.61. Columbite-group minerals are represented mostly by columbite-(Fe) and rarely by columbite-(Mn), with Mn/(Mn + Fe) ratio ranging from 0.23 to 0.94. The exceptionally rare Fe-rich, W-bearing ixiolite occurs only as inclusions in Nb-Ta-bearing rutile from quartz-free alkali-feldspar syenites (Vysoký Kámen stock). Wodginite was found only in the topaz-albite microgranite of gneissic breccia matrix that occurs in the upper most part of the Hub topaz-albite granite stock. In wodginite, the Mn/(Mn + Fe) ratio is 0.42-0.51, whereas the coexisting tapiolite-(Fe) has a distinctly lower Mn/(Mn + Fe) ratio close to 0.06.

  10. On the Structural and Luminescent Properties of the ScTa(1-x)Nb(x)O(4) System.

    ERIC Educational Resources Information Center

    Brixner, L. H.

    1980-01-01

    Diagrams and tables supplement textual information regarding the structure of ScNbo-4 and its observed and calculated d-values; excitation and emission spectra and cell constants for the ScTa(1-x)NB(x)O(4) system. (CS)

  11. Discovery of Weyl fermion semimetal and topological Fermi arc quasiparticles in TaAs, NbAs, NbP, TaP and related materials

    NASA Astrophysics Data System (ADS)

    Hasan, M. Zahid

    Topological matter can host Dirac, Majorana and Weyl fermions as quasiparticle modes on their boundaries. First, I briefly mention the basic theoretical concepts defining insulators and superconductors where topological surface state modes are robust only in the presence of a gap (Hasan & Kane; Rev. of Mod. Phys. 82, 3045 (2010)). In these systems topological protection is lost once the gap is closed turning the system into a trivial metal. A Weyl semimetal is the rare exception in this scheme which is a topologically robust metal (semimetal) whose low energy emergent excitations are Weyl fermions. In a Weyl fermion semimetal, the chiralities associated with the Weyl nodes can be understood as topological charges, leading to split monopoles and anti-monopoles of Berry curvature in momentum space. This gives a measure of the topological strength of the system. Due to this topology a Weyl semimetal is expected to exhibit 2D Fermi arc quasiparticles on its surface (Wan et.al., 2011). These arcs (``fractional'' Fermi surfaces) are discontinuous or disjoint segments of a two dimensional Fermi contour, which are terminated onto the projections of the Weyl fermion nodes on the surface we have observed experimentally in TaAs, NbAs, NbP class of materials (Xu, Belopolski et.al., Science 349, 613 (2015); Xu, Alidoust et.al., Nature Phys. (2015); Xu, Belopolski et.al., Science Adv. (2015), Belopolski, Xu et.al., arXiv (2015)) following our theoretical predictions (Huang, Xu, Belopolski et.al., Nature Commun. 6:7373 (2015), submitted in November 2014). Our theoretical predictions (Nature Commun. 2015) and experimental demonstrations (Science 2015, Nature Physics 2015, Science Advances 2015) reveal that these Fermi arc quasiparticles can only live on the boundary of a 3D crystal which collectively represents the realization of a new state of quantum matter beyond our earlier work on Fermi arcs in topological materials (Xu, Liu, Kushwaha et.al., Science 347, 294 (2015), adv

  12. The origin of hyperferroelectricity in LiBO3 (B = V, Nb, Ta, Os)

    NASA Astrophysics Data System (ADS)

    Li, Pengfei; Ren, Xinguo; Guo, Guang-Can; He, Lixin

    2016-10-01

    The electronic and structural properties of LiBO3 (B = V, Nb, Ta, Os) are investigated via first-principles methods. We show that LiBO3 belong to the recently proposed hyperferroelectrics (hyperFEs), i.e., they all have unstable longitudinal optic phonon modes. Especially, the ferroelectric-like instability in the metal LiOsO3, whose optical dielectric constant goes to infinity, is a limiting case of hyperFEs. Via an effective Hamiltonian, we further show that, in contrast to normal proper ferroelectricity, in which the ferroelectric instability usually comes from long-range coulomb interactions, the hyperFE instability is due to the structure instability driven by short-range interactions. This could happen in systems with large ion size mismatches, which therefore provides a useful guidance in searching for novel hyperFEs.

  13. Hemispherical emissivity of V, Nb, Ta, Mo, and W from 300 to 1000 K

    NASA Technical Reports Server (NTRS)

    Cheng, S. X.; Hanssen, L. M.; Riffe, D. M.; Sievers, A. J.; Cebe, P.

    1987-01-01

    The hemispherical emissivities of five transition elements, V, Nb, Ta, Mo, and W, have been measured from 300 to 1000 K, complementing earlier higher-temperature results. These low-temperature data, which are similar, are fitted to a Drude model in which the room-temperature parameters have been obtained from optical measurements and the temperature dependence of the dc resistivity is used as input to calculate the temperature dependence of the emissivity. A frequency-dependent free-carrier relaxation rate is found to have a similar magnitude for all these elements. For temperatures larger than 1200 K the calculated emissivity is always greater than the measured value, indicating that the high-temperature interband features of transition elements are much weaker than those determined from room-temperature measurements.

  14. The origin of hyper-ferroelectricity in Li BO3 (B=V, Nb, Ta, Os)

    NASA Astrophysics Data System (ADS)

    He, Lixin; Li, Pengfei; Ren, Xinguo; Guo, G.-C.

    The electronic and structural properties of Li BO3 (B=V, Nb, Ta, Os) are investigated via first-principles methods. We show that Li BO3 are belong to the recently proposed hyperferroelectrics, i.e., they all have unstable longitudinal optical phonon modes. Especially, the ferroelectric-like instability in the metal LiOsO3 is a limiting case of a hyperferroelectrics, whose optical dielectric constant goes to infinity. We further show via an effective Hamiltonian that in contrast to normal proper ferroelectricity, in which the ferroelectric instability usually comes from long range coulomb interactions, the hyperferroelectric instability is due to the structure instability driven by the short range interactions. This could happen in systems with large ion size mismatches, which therefore provides a useful guidance in searching for novel hyperferroelectrics.

  15. The origin of hyperferroelectricity in LiBO3 (B = V, Nb, Ta, Os)

    PubMed Central

    Li, Pengfei; Ren, Xinguo; Guo, Guang-Can; He, Lixin

    2016-01-01

    The electronic and structural properties of LiBO3 (B = V, Nb, Ta, Os) are investigated via first-principles methods. We show that LiBO3 belong to the recently proposed hyperferroelectrics (hyperFEs), i.e., they all have unstable longitudinal optic phonon modes. Especially, the ferroelectric-like instability in the metal LiOsO3, whose optical dielectric constant goes to infinity, is a limiting case of hyperFEs. Via an effective Hamiltonian, we further show that, in contrast to normal proper ferroelectricity, in which the ferroelectric instability usually comes from long-range coulomb interactions, the hyperFE instability is due to the structure instability driven by short-range interactions. This could happen in systems with large ion size mismatches, which therefore provides a useful guidance in searching for novel hyperFEs. PMID:27694996

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

    NASA Astrophysics Data System (ADS)

    Tel, E.; Yiğit, M.; Tanır, G.

    2012-04-01

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

  17. Dielectric properties of some MM‧O4 and MTiM‧O6 (M=Cr, Fe, Ga; M‧=Nb, Ta, Sb) rutile-type oxides

    NASA Astrophysics Data System (ADS)

    Mani, Rohini; Achary, S. N.; Chakraborty, Keka R.; Deshpande, S. K.; Joy, Joby E.; Nag, Abanti; Gopalakrishnan, J.; Tyagi, A. K.

    2010-06-01

    We describe an investigation of the structure and dielectric properties of MM'O 4 and MTi M'O 6 rutile-type oxides for M=Cr, Fe, Ga and M'=Nb, Ta and Sb. All the oxides adopt a disordered rutile structure ( P4 2/ mnm) at ambient temperature. A partial ordered trirutile-type structure is confirmed for FeTaO 4 from the low temperature (17 K) neutron diffraction studies. While both the MM'O 4 oxides (CrTaO 4 and FeTaO 4) investigated show a normal dielectric property MTi M'O 6 oxides for M=Fe, Cr and M'=Nb/Ta/Sb display a distinct relaxor/relaxor-like response. Significantly the corresponding gallium analogs, GaTiNbO 6 and GaTiTaO 6, do not show a relaxor response at T<500 K.

  18. Nano-Particle Formation of Mn/HA on the Ti-35Ta-xNb Alloy by Electrochemical Methods.

    PubMed

    Jo, Chae-Ik; Choe, Han-Cheol

    2015-08-01

    In this study, nano-particle formation of Mn/HA on the Ti-35Ta-xNb alloy by electrochemical methods has researched using various experiments. These alloys were performed by arc-melting furnace and then heat treated for 1000 °C at 12 h in Ar gas atmosphere and quenched at 0 °C water. Hydroxyapatite precipitation has been synthesized from 5 mM Ca(NO3)2 · 4 H2O+3 mM NH4H2PO4 at 80±1 °C. Manganese doped Hydroxyapatite precipitation has been synthesized from 4.95 mM Ca(NO3)2 · 4 H2O+3 mM NH4H2PO4+0.05 mM MnCl2 · 4 H2O at 80±1 °C. Morphology and structure were examined by FE-SEM, EDS and XRD. The microstructure of Ti-35Ta-xNb alloys was transformed from a phase to α phase as Nb content increased. The nano-scale HA shapes were plate-like precipitates and Mn doped HA shapes were net-like precipitates on Ti-35Ta-xNb alloys, and Ca, P and Mn peaks were detected on the Mn/HA deposited surface.

  19. Quantifying protein adsorption on combinatorially sputtered Al-, Nb-, Ta- and Ti-containing films with electron microprobe and spectroscopic ellipsometry

    NASA Astrophysics Data System (ADS)

    Byrne, T. M.; Lohstreter, L.; Filiaggi, M. J.; Bai, Zhijun; Dahn, J. R.

    2009-04-01

    Although metallic biomaterials are widely used, systematic studies of protein adsorption onto such materials are generally lacking. Combinatorial binary libraries of Al 1-xNb x, Al 1-xTa x, Al 1-xTi x, Nb 1-xTa x, Nb 1-xTi x, and Ta 1-xTi x (0 ⩽ x ⩽ 1) and a ternary library of Al 1-xTi xTa y (0 ⩽ x ⩽ 1 and 0 ⩽ y ⩽ 0.7), along with their corresponding pure element films were sputtered onto glass substrates using a unique magnetron sputtering technique. Films were characterized with wavelength-dispersive spectroscopy (WDS), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Fibrinogen and albumin adsorption amounts were measured by wavelength-dispersive spectroscopy (WDS) and spectroscopic ellipsometry (SE) equipment, both high throughput techniques with automated motion stage capabilities. Protein adsorption onto these films was found to be closely correlated to the alumina surface fraction, with high alumina content at the surface leading to low amounts of adsorbed fibrinogen and albumin. Protein adsorption amounts obtained with WDS and SE were in good agreement for all films.

  20. Are lithium niobate (LiNbO3) and lithium tantalate (LiTaO3) ferroelectrics bioactive?

    PubMed

    Vilarinho, Paula Maria; Barroca, Nathalie; Zlotnik, Sebastian; Félix, Pedro; Fernandes, Maria Helena

    2014-06-01

    The use of functional materials, such as ferroelectrics, as platforms for tissue growth in situ or ex situ, is new and holds great promise. But the usage of materials in any bioapplication requires information on biocompatibility and desirably on bioactive behavior when bone tissue engineering is envisaged. Both requirements are currently unknown for many ferroelectrics. Herein the bioactivity of LiNbO3 and LiTaO3 is reported. The formation of apatite-like structures on the surface of LiNbO3 and LiTaO3 powders after immersion in simulated body fluid (SBF) for different soaking periods indicates their bioactive potential. The mechanism of apatite formation is suggested. In addition, the significant release of lithium ions from the ferroelectric powders in the very first minutes of soaking in SBF is examined and ways to overcome this likely hurdle addressed.

  1. Mechanical and corrosion resistance of a new nanostructured Ti-Zr-Ta-Nb alloy.

    PubMed

    Raducanu, D; Vasilescu, E; Cojocaru, V D; Cinca, I; Drob, P; Vasilescu, C; Drob, S I

    2011-10-01

    In this work, a multi-elementary Ti-10Zr-5Nb-5Ta alloy, with non-toxic alloying elements, was used to develop an accumulative roll bonding, ARB-type procedure in order to improve its structural and mechanical properties. The alloy was obtained by cold crucible semi-levitation melting technique and then was ARB deformed following a special route. After three ARB cycles, the total deformation degree per layer is about 86%; the calculated medium layer thickness is about 13 μm. The ARB processed alloy has a low Young's modulus of 46 GPa, a value very close to the value of the natural cortical bone (about 20 GPa). Data concerning ultimate tensile strength obtained for ARB processed alloy is rather high, suitable to be used as a material for bone substitute. Hardness of the ARB processed alloy is higher than that of the as-cast alloy, ensuring a better behaviour as a implant material. The tensile curve for the as-cast alloy shows an elastoplastic behaviour with a quite linear elastic behaviour and the tensile curve for the ARB processed alloy is quite similar with a strain-hardening elastoplastic body. Corrosion behaviour of the studied alloy revealed the improvement of the main electrochemical parameters, as a result of the positive influence of ARB processing. Lower corrosion and ion release rates for the ARB processed alloy than for the as-cast alloy, due to the favourable effect of ARB thermo-mechanical processing were obtained. PMID:21783152

  2. Mechanical and corrosion resistance of a new nanostructured Ti-Zr-Ta-Nb alloy.

    PubMed

    Raducanu, D; Vasilescu, E; Cojocaru, V D; Cinca, I; Drob, P; Vasilescu, C; Drob, S I

    2011-10-01

    In this work, a multi-elementary Ti-10Zr-5Nb-5Ta alloy, with non-toxic alloying elements, was used to develop an accumulative roll bonding, ARB-type procedure in order to improve its structural and mechanical properties. The alloy was obtained by cold crucible semi-levitation melting technique and then was ARB deformed following a special route. After three ARB cycles, the total deformation degree per layer is about 86%; the calculated medium layer thickness is about 13 μm. The ARB processed alloy has a low Young's modulus of 46 GPa, a value very close to the value of the natural cortical bone (about 20 GPa). Data concerning ultimate tensile strength obtained for ARB processed alloy is rather high, suitable to be used as a material for bone substitute. Hardness of the ARB processed alloy is higher than that of the as-cast alloy, ensuring a better behaviour as a implant material. The tensile curve for the as-cast alloy shows an elastoplastic behaviour with a quite linear elastic behaviour and the tensile curve for the ARB processed alloy is quite similar with a strain-hardening elastoplastic body. Corrosion behaviour of the studied alloy revealed the improvement of the main electrochemical parameters, as a result of the positive influence of ARB processing. Lower corrosion and ion release rates for the ARB processed alloy than for the as-cast alloy, due to the favourable effect of ARB thermo-mechanical processing were obtained.

  3. Fatigue performance and cyto-toxicity of low rigidity titanium alloy, Ti-29Nb-13Ta-4.6Zr.

    PubMed

    Niinomi, Mitsuo

    2003-07-01

    A beta type titanium alloy, Ti-29Nb-13Ta-4.6Zr, was newly designed and developed for biomedical applications. The new alloy contains non-toxic elements such as Nb, Ta, and Zr. In the present study, phases that appeared in the new alloy through various aging treatments were characterized by hardness tests and microstructural observations in order to identify the phase transformation. Fatigue properties of the new alloy were investigated. Young's modulus and cyto-toxicity of the new alloy were also evaluated. Precipitated phases distribute homogeneously over the whole specimen, and they are alpha phase, a small amount of omega phase, and beta phase when the new alloys are subjected to aging treatment at 673K for 259.2ks after solution treatment at 1063K for 3.6ks. The fatigue strength of the new alloy subjected to aging at 673K for 259.2ks after solution treatment at 1063K for 3.6ks is much better than when subjected to other aging treatments. In this case, the fatigue limit is around 700MPa. Young's modulus of the new alloy is much smaller than that of Ti-6Al-4V ELI. The cyto-toxicity of the new alloy is equivalent to that of pure Ti. Therefore, it is proposed that the new alloy, Ti-29Nb-13Ta-4.6Zr, will be of considerable use in biomedical applications.

  4. Morphology of nanotube arrays grown on Ti-35Nb-2Ta-3Zr alloys with different deformations

    NASA Astrophysics Data System (ADS)

    Wang, Pei; Li, Hua; Zhang, Yangyang; Liu, Hezhou; Guo, Yiping; Liu, Zhongtang; Zhao, Shichang; Yin, Jimin; Guo, Yanjie

    2014-01-01

    Nanotubes on Ti-35Nb-2Ta-3Zr alloy with different degrees of deformations in thickness were fabricated by anodization method. The effect of deformations on the morphology, crystal phase and grain size of nanotubes was investigated. Nanotube arrays with uniform diameter were achieved by using ethylene glycol (EG)/NH4F organic electrolyte, indicating the electrolyte composition will influence the arrangement of TiO2 nanotube arrays. With the increasing degree of deformation, the corrosion potential Ecorr of the alloys had a positive displacement, which suggested an enhanced anticorrosion ability and resulted in nanotubes with smaller diameter. After heat treatment, anatase TiO2 was obtained. Due to the existence of lattice distortion, the grain size of TiO2 nanotubes prepared by Ti-35Nb-2Ta-3Zr alloy with deformations was smaller than that of with no deformation. However, when the reductions of alloy increased, there was a tendency to make the grain size larger, which was probably caused by the restriction of the wall thickness of nanotubes. The study about the nanotubes formed on Ti-35Nb-2Ta-3Zr alloy with different deformations provides a basis for its application on the drug-loading by Ti alloy prosthesis artificial joint.

  5. Characterization of the Ti-10Nb-10Zr-5Ta Alloy for Biomedical Applications. Part 2: Wettability, Tribological Performance and Biocompatibility

    NASA Astrophysics Data System (ADS)

    Braic, V.; Balaceanu, M.; Braic, M.; Vitelaru, C.; Titorencu, I.; Pruna, V.; Parau, A. C.; Fanara, C.; Vladescu, A.

    2014-01-01

    The Ti-10Nb-10Zr-5Ta alloy, prepared in a levitation melting furnace, was investigated as a possible candidate for replacing Ti6Al4V alloy in medical applications. The sessile drop method, pin-on-disc and in vitro tests were used to analyze wettability, wear resistance, and biocompatibility of the new alloy. The characteristics of the Ti-10Nb-10Zr-5Ta alloy were assessed in comparison to those of the Ti6Al4V alloy. The Ti-10Nb-10Zr-5Ta system was found to have hydrophilic characteristics with similar contact angle as the Ti6Al4V alloy. In all environments (deionized water, simulated body fluid and Fusayama Meyer artificial saliva), the friction coefficient showed a stable evolution versus sliding distance, being similar for both alloys. On overall, the wear resistance of Ti-10Nb-10Zr-5Ta alloy was lower than that of Ti6Al4V for all testing environments. The Ti-10Nb-10Zr-5Ta alloy exhibited good biocompatibility characteristics at in vitro test compared to Ti6Al4V alloy. The cell viability on Ti-10Nb-10Zr-5Ta surfaces was higher than the one observed on Ti6Al4V samples, regardless the number of days spent in osteoblast-like cells culture. A high degree of cell attachment and spreading was observed on both alloys.

  6. Electrochemical and spectroscopic studies of the chloro and oxochloro complex formation of Nb(V) and Ta(V) in NaCl-AlCl3 melts.

    PubMed

    von Barner, J H; Bjerrum, N J

    2005-12-26

    The equilibrium constant for the chloro complex formation of Nb(V) NbCl6-<--->NbCl5+Cl- (i) in NaCl-AlCl3 melts at 175 degrees C was found to be pKi = 2.86(5). The oxochloro complex formation of Nb(V) and Ta(V) in NaCl-AlCl3 melts at 175 degrees C could be explained by the following equilibria: MOCl4- <-->MOCl3+Cl- (ii) MOCl3<-->MOCl2(+)+Cl- (iii) where M = Nb and Ta. The equilibrium constants determined by potentiometric measurements with chlorine-chloride electrodes were, for M = Nb, pKii = 2.21(4) and pKiii = 3.95(5) and, for M = Ta, pKii = 2.743(15) and pKiii = 4.521(13). NbCl6- has two bands in the UV-vis region, a strong one at 34.7 x 10(3) cm-1 and a weaker one at 41.6 x 10(3) cm-1. The MOCl4- complexes showed in the case of Nb(V) absorption bands at 32.7 and 42.9 x 10(3) cm-1 and in the case of Ta(V) at 38.6 and 48.1 x 10(3) cm-1. PMID:16363855

  7. Constraints on Lu-Hf and Nb-Ta systematics in globally subducted oceanic crust from a survey of orogenic eclogites and amphibolites

    NASA Astrophysics Data System (ADS)

    Zirakparvar, N. Alex

    2016-04-01

    To further understand Lu-Hf and Nb-Ta systematics in globally subducted oceanic crust, this paper evaluates all available Lu-Hf garnet isochron ages and initial ɛHf values in conjunction with present-day bulk-rock Lu-Hf isotope and trace element (K, Nb, Ta, Zr, and Ti in addition to Lu-Hf) data from the world's orogenic eclogites and amphibolites (OEAs). Approximately half of OEAs exhibit Lu-Hf and Nb-Ta systematics mimicking those of unsubducted oceanic crust whereas the rest exhibit variability in one or both systems. For the Lu-Hf system, mixing calculations demonstrate that subduction-related phase transformations, in conjunction with open system behavior, can shift subducted oceanic crust toward higher Lu/Hf, or toward lower Lu/Hf that can also be associated with unradiogenic ɛHf values. However, evaluation of potential mechanisms for fractionating Nb from Ta is more complicated because many of the OEAs have Nb-Ta systematics that are decoupled from Lu-Hf and the behavior of K, Zr, and Ti. Nonetheless, the global data set demonstrates that the association between unradiogenic ɛHf and elevated Nb/Ta observed in some kimberlitic eclogite xenoliths can be inherited from processes that occurred during subduction of their oceanic crustal protoliths. This allows for a geologically based estimate of the Nb concentration in a reservoir composed of deeply subducted oceanic crust. However, mass balance calculations confirm that such a reservoir, when considered as a whole, likely has a Nb concentration similar to unsubducted oceanic crust and is therefore not the solution to the problem of the Earth's "missing" Nb.

  8. Interfacial bonding stabilizes rhodium and rhodium oxide nanoparticles on layered Nb oxide and Ta oxide supports.

    PubMed

    Strayer, Megan E; Binz, Jason M; Tanase, Mihaela; Shahri, Seyed Mehdi Kamali; Sharma, Renu; Rioux, Robert M; Mallouk, Thomas E

    2014-04-16

    Metal nanoparticles are commonly supported on metal oxides, but their utility as catalysts is limited by coarsening at high temperatures. Rhodium oxide and rhodium metal nanoparticles on niobate and tantalate supports are anomalously stable. To understand this, the nanoparticle-support interaction was studied by isothermal titration calorimetry (ITC), environmental transmission electron microscopy (ETEM), and synchrotron X-ray absorption and scattering techniques. Nanosheets derived from the layered oxides KCa2Nb3O10, K4Nb6O17, and RbTaO3 were compared as supports to nanosheets of Na-TSM, a synthetic fluoromica (Na0.66Mg2.68(Si3.98Al0.02)O10.02F1.96), and α-Zr(HPO4)2·H2O. High surface area SiO2 and γ-Al2O3 supports were also used for comparison in the ITC experiments. A Born-Haber cycle analysis of ITC data revealed an exothermic interaction between Rh(OH)3 nanoparticles and the layered niobate and tantalate supports, with ΔH values in the range -32 kJ·mol(-1) Rh to -37 kJ·mol(-1) Rh. In contrast, the interaction enthalpy was positive with SiO2 and γ-Al2O3 supports. The strong interfacial bonding in the former case led to "reverse" ripening of micrometer-size Rh(OH)3, which dispersed as 0.5 to 2 nm particles on the niobate and tantalate supports. In contrast, particles grown on Na-TSM and α-Zr(HPO4)2·H2O nanosheets were larger and had a broad size distribution. ETEM, X-ray absorption spectroscopy, and pair distribution function analyses were used to study the growth of supported nanoparticles under oxidizing and reducing conditions, as well as the transformation from Rh(OH)3 to Rh nanoparticles. Interfacial covalent bonding, possibly strengthened by d-electron acid/base interactions, appear to stabilize Rh(OH)3, Rh2O3, and Rh nanoparticles on niobate and tantalate supports. PMID:24654835

  9. Effect of crystal structure on microwave dielectric properties of Li{sub 2}SrTa{sub 2(1−x)}Nb{sub 2x}O{sub 7} compounds

    SciTech Connect

    Singh, Santosh Kumar; Murthy, V.R.K

    2015-10-15

    Highlights: • Synthesis of orthorhombic Li{sub 2}SrTa{sub 2(1−x)}Nb{sub 2x}O{sub 7} compounds • The mechanism for enhancement of quality factor by bond strength. • Deviation of τ{sub ƒ} with octahedral distortion of the compound. - Abstract: The Li{sub 2}SrTa{sub 2(1−x)}Nb{sub 2x}O{sub 7} (x = 0–1.0) with layered-perovskite type structure were synthesized by conventional solid state reaction method. The X-ray diffraction reveals that all these compounds possess orthorhombic crystal structure with Cmcm space group. B-site bond strength and B-site octahedral distortion of these compounds were calculated using bond lengths obtained from Rietveld refinement. The dielectric constant (ϵ{sub r}) decreased from 24.2 to 15.2 with increase in the Nb concentration, which was due to decrease in dielectric polarizability of compound. The non-monotonic variation in quality factor (Q × ƒ) was observed with Nb concentration. This variation of quality factor was correlated with the B-site bond strength. The B-site octahedral distortion was found to increase with Nb content, which was the major factor for increase in temperature coefficient of resonant frequency (τ{sub f}) of these compounds.

  10. Structure analysis on the Ba{sub 3}Mg(Ta{sub 1-x}Nb{sub x}){sub 2}O{sub 9} ceramics: Coexistence of order and disorder

    SciTech Connect

    Janaswamy, Srinivas Murthy, G. Sreenivasa; Dias, E.D.; Murthy, V.R.K.

    2008-03-04

    The Ba{sub 3}ZnTa{sub 2}O{sub 9} (BZT) and Ba{sub 3}MgTa{sub 2}O{sub 9} (BMT) ceramics, a family of A{sub 3}B{sup 2+}B{sup 5+}{sub 2}O{sub 9} complex perovskites, are extensively utilized in mobile based technologies due to their intrinsic high unloaded quality factor, high dielectric constant and a low (near-zero) resonant frequency temperature coefficient at microwave frequencies. The preparation conditions as well as size and nature of B cations have a profound effect on the final dielectric properties. In this article, we report the effect of Nb{sup 5+} at the Ta{sup 5+} site on the BMT structure prepared at four synthesis temperatures (1300, 1400, 1500 and 1600 deg. C). The analysis has been carried out using the Rietveld technique on the X-ray powder diffraction data. Results suggest that both the preparation temperatures and Nb{sup 5+} content have significant effect on the ordering of B cations in the Ba{sub 3}Mg(Ta{sub 1-x}Nb{sub x}){sub 2}O{sub 9} solid solution. A disordered (cubic) structure is preferred by the 1300 deg. C compounds. The weight percentage of the ordered (trigonal) phase escalates, for a given composition, with increasing calcination temperature. A fully ordered trigonal arrangement exists only for x = 0.0 and 0.2 compounds calcined at 1600 deg. C, and the rest are biphasic (cubic and trigonal). The increase in the cubic fraction upon Nb{sup 5+} augmentation suggests that the solid solution leans more toward the disordered structural arrangement of B{sup 2+} and B{sup 5+} cations.

  11. Blue Phosphorene/MS2 (M = Nb, Ta) Heterostructures As Promising Flexible Anodes for Lithium-Ion Batteries.

    PubMed

    Peng, Qiong; Wang, Zhenyu; Sa, Baisheng; Wu, Bo; Sun, Zhimei

    2016-06-01

    The idea of forming van der Waals (vdW) heterostructures by integrating various two-dimensional materials breaks the limitation of the restricted properties of single material systems. In this work, the electronic structure modulation, stability, entire stress response and the Li adsorption properties of heterostructures by combining blue phosphorene (BlueP) and MS2 (M = Nb, Ta) together were systematically investigated using first-principles calculations based on vdW corrected density functional theory. We revealed that BlueP/MS2 vdW heterostructures possess good structural stability with negative formation energy, enhanced electrical conductivity, improved mechanical flexibility (ultimate strain >17%) and high-capacity (528.257 mAhg(-1) for BlueP/NbS2). The results suggest that BlueP/NbS2 and BlueP/TaS2 heterostructures are ideal candidates used as promising flexible electrode for high recycling rate and portable lithium-ion batteries, which satisfy the requirement of next-generation flexible energy storage and conversion devices. PMID:27165567

  12. Electronic structures of transition metal dipnictides X P n2 (X =Ta , Nb; P n =P , As, Sb)

    NASA Astrophysics Data System (ADS)

    Xu, Chenchao; Chen, Jia; Zhi, Guo-Xiang; Li, Yuke; Dai, Jianhui; Cao, Chao

    2016-05-01

    The electronic structures and topological properties of transition metal dipnictides X P n2 (X =Ta , Nb; P n =P , As, Sb) have been systematically studied using first-principles calculations. In addition to small bulk Fermi surfaces, the band anticrossing features near the Fermi level can be identified from band structures without spin-orbit coupling, leading to nodal lines in all these compounds. Inclusion of spin-orbit coupling gaps out these nodal lines, leaving only a pair of disentangled electron/hole bands crossing the Fermi level. Therefore, the low-energy physics can be in general captured by the corresponding two-band model with several isolated small Fermi pockets. Detailed analysis of the Fermi surfaces suggests that the arsenides and NbSb2 are nearly compensated semimetals while the phosphorides and TaSb2 are not. Based on the calculated band parities, the electron and hole bands are found to be weakly topological nontrivial, giving rise to surface states. As an example, we presented the surface-direction-dependent band structure of the surfaces states in TaSb2.

  13. Loparite, a rare-earth ore (Ce, Na, Sr, Ca)(Ti, Nb, Ta, Fe+3)O3

    USGS Publications Warehouse

    Hedrick, James B.; Sinha, Shyama P.; Kosynkin, Valery D.

    1997-01-01

    The mineral loparite (Ce, NA, Sr, Ca)(Ti, Nb, Ta, Fe+3)O3 is the principal ore of the light-group rare-earth elements (LREE) in Russia. The complex oxide has a perovskite (ABO3) structure with coupled substitutions, polymorphism, defect chemistry and a tendency to become metamict. The A site generally contains weakly bonded, easily exchanged cations of the LREE, Na and Ca. The B site generally contains smaller, highly charged cations of Ti, Nb or Fe+3. Mine production is from Russia's Kola Peninsula. Ore is beneficiated to produce a 95% loparite concentrate containing 30% rare-earth oxides. Loparite concentrate is refined by either a chlorination process or acid decomposition process to recover rare-earths, titanium, niobium and tantalum. Rare-earths are separated by solvent extraction and selective precipitation/dissolution. The concentrate is processed at plants in Russia, Estonia and Kazakstan.

  14. Effect of deformation on corrosion behavior of Ti-23Nb-0.7Ta-2Zr-O alloy

    SciTech Connect

    Guo, W.Y.; Sun, J. Wu, J.S.

    2009-03-15

    The influence of deformation on the corrosion behavior of a newly developed multifunctional beta titanium alloy Ti-23Nb-0.7Ta-2Zr-O (mol%) in Ringer's solution at 310 K was evaluated using an electron backscatter diffraction technique and electrochemical measurements. The results showed that the effect of deformation on the corrosion resistance of the beta titanium alloy is complicated. Small levels of plastic deformation are detrimental to the corrosion resistance, whereas large deformations tend to eliminate this detrimental effect.

  15. Preparation and visible-light photocatalytic properties of BiNbO₄ and BiTaO₄ by a citrate method

    SciTech Connect

    Zhai, Hai-Fa; Li, Ai-Dong; Kong, Ji-Zhou; Li, Xue-Fei; Zhao, Jie; Guo, Bing-Lei; Yin, Jiang; Li, Zhao-Sheng; Wu, Di

    2013-06-01

    Visible-light photcatalysts of BiNbO₄ and BiTaO₄ powders have been successfully synthesized by a citrate method. The formation of pure triclinic phase of BiNbO₄ and BiTaO₄ at low temperature of 700 °C can be attributed to the advantage of the citrate method. The photocatalytic activity and possible mechanism were investigated deeply. For BiNbO₄ particles, the mechanism of methyl violet (MV) degradation under visible light irradiation involves photocatalytic and photosensitization pathways and the catalyst specific surface area has dominant influence. While for BiTaO₄ particles, the dominant mechanism arises from photosensitization pathways and a trade off between high specific surface area and good crystallinity is achieved. BiNbO₄ powder calcined at 700 °C shows the best photocatalytic efficiency among these catalysts, which is ascribed to its large surface area and more positive conduction band level. The optimal catalyst loading, additive H₂O₂ concentration and pH value is around 1 g/L, 2 mmol/L and 8 mmol/L, respectively. - Graphical abstract: Photodegradation performance and adsorption ability of BiNbO₄ and BiTaO₄ powders, respectively. BNO700 with the best photocatalytic efficiency is ascribed to its large surface area and more positive conduction band level. Highlights: • Pure BiNbO₄ and BiTaO₄ powders were prepared by a citrate method. • Excellent performance of visible-light degradation of MV was observed. • Different MV degradation mechanism for BiNbO₄ and BiTaO₄ powders was proposed. • BNO700 has large surface area and more positive conduction band level.

  16. Microstructure and mechanical properties of Ti-Ta/alumina and Ti-Nb/alumina joints for dental implants.

    PubMed

    Gibbesch, B; Elssner, G; Petzow, G

    1989-01-01

    The microstructure of Ti-Ta and Ti-Nb alloys diffusion bonded to a 99.7 wt% Al2O3 ceremic for dental implants is subdivided into a reaction double layer containing the phases TiAl and Ti3Al, a transition region of coarse alpha-Ti plates in beta-Ti, and the unaffected bulk metal, the alpha-Ti/beta-Ti structure of which can be refined by annealing at 800 degrees C for 1 hour after bonding. Optimized joints fabricated by diffusion bonding in a high vacuum at 1,200 degrees C from a 99.7 wt% Al2O3 ceramic and Ti-Ta alloys fitted in their thermal contraction behavior to that of the ceramic by the addition of 30 to 40 wt% Ta showed a fracture resistance of 2.3 MN/m3/2. Approximately 80% of the bend test specimens notched at the Ti-Ta/alumina interface failed by crack extension parallel to the interface within the ceramic, which is typical for a metal-ceramic bond of high to medium interfacial strength.

  17. Influence of Ta substitution for Nb in Zn3Nb2O8 and the impact on the crystal structure and microwave dielectric properties.

    PubMed

    Zhao, Yonggui; Zhang, Ping

    2016-08-01

    Zn3(Nb1-xTax)2O8 (x = 0.02-0.10) ceramics were prepared via a solid-state reaction route and the dependence of their microwave dielectric properties on their structural characteristics were investigated. XRD patterns show that a single Zn3Nb2O8 phase with layered crystal structures was formed in ceramic samples with 0.02 ≤x≤ 0.10. The Raman spectrum was used for the first time to analyze the vibrational phonon modes of the Zn3Nb2O8 samples. Based on P-V-L dielectric theory, the intrinsic factors that influence the microwave dielectric properties were systematically investigated. According to the calculated results, the experimental dielectric constant had a close relationship with the theoretical dielectric constant. The Nb-site lattice energy was found to be a vital factor in explaining the change of the Q×f values. While the Nb-site bond energy increases, the |τf| value decreases which indicates that higher bond energy would result in a more stable system. This work presents a novel method to investigate the intrinsic factors that influence microwave dielectric properties. PMID:27362863

  18. Influence of Ta substitution for Nb in Zn3Nb2O8 and the impact on the crystal structure and microwave dielectric properties.

    PubMed

    Zhao, Yonggui; Zhang, Ping

    2016-08-01

    Zn3(Nb1-xTax)2O8 (x = 0.02-0.10) ceramics were prepared via a solid-state reaction route and the dependence of their microwave dielectric properties on their structural characteristics were investigated. XRD patterns show that a single Zn3Nb2O8 phase with layered crystal structures was formed in ceramic samples with 0.02 ≤x≤ 0.10. The Raman spectrum was used for the first time to analyze the vibrational phonon modes of the Zn3Nb2O8 samples. Based on P-V-L dielectric theory, the intrinsic factors that influence the microwave dielectric properties were systematically investigated. According to the calculated results, the experimental dielectric constant had a close relationship with the theoretical dielectric constant. The Nb-site lattice energy was found to be a vital factor in explaining the change of the Q×f values. While the Nb-site bond energy increases, the |τf| value decreases which indicates that higher bond energy would result in a more stable system. This work presents a novel method to investigate the intrinsic factors that influence microwave dielectric properties.

  19. Characterization of the Ti-10Nb-10Zr-5Ta Alloy for Biomedical Applications. Part 1: Microstructure, Mechanical Properties, and Corrosion Resistance

    NASA Astrophysics Data System (ADS)

    Vladescu, A.; Braic, V.; Balaceanu, M.; Braic, M.; Parau, A. C.; Ivanescu, S.; Fanara, C.

    2013-08-01

    Ti-10Nb-10Zr-5Ta alloy was investigated as possible material candidate for replacing Ti6Al4V in medical applications. The alloy was prepared in a levitation melting furnace and characterized in terms of elemental and phase composition, microstructure, mechanical properties, and corrosion resistance in simulated body fluid and Fusayama Meyer artificial saliva solutions. The characteristics of the new alloy were compared to those of the Ti6Al4V alloy. The Ti-10Nb-10Zr-5Ta system was found to posses of a polyhedral structure consisting in α' and β phases. X-ray structural analysis revealed a mixture of hexagonal α' martensite (main phase, with grain size of about 21 nm) and β bcc phase. The Ti-10Nb-10Zr-5Ta alloy exhibited some better mechanical properties (Young modulus, tensile properties) and corrosion resistance (polarization resistance, corrosion current density, and corrosion rate), as compared to Ti6Al4V alloy.

  20. Synthesis, crystal structure and properties of the new superconductors TaRuB and NbOsB.

    PubMed

    Zheng, Qiang; Gumeniuk, Roman; Rosner, Helge; Schnelle, Walter; Prots, Yurii; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas

    2015-10-21

    Two new ternary compounds TaRuB and NbOsB were synthesized by arc-melting and annealing at 1500-1850 °C. They crystallize in orthorhombic primitive structures with space group Pbam. Magnetic susceptibility, electrical resistivity, and specific heat measurements reveal bulk superconductivity for metallic TaRuB with a T(c) ≈ 4 K. Electronic structure calculations by DFT methods show that 4d and 5d transition-metal states dominate the density of states (DOS) at the Fermi level E(F) with a pronounced quasi one-dimensional behaviour along the [0 0 1] direction. Comparison of the calculated DOS at E(F) with specific heat data reveals a moderate electron-phonon coupling. Possible small boron vacancies could significantly reduce the DOS at E(F), hence decrease T(c) for samples annealed at higher temperatures. For NbOsB, the DOS(E(F)) is strongly reduced due to an increase of covalent bonding interactions between Os and B. Accordingly, a lower T(c) ≈ 1 K is observed. PMID:26418029

  1. Magnetic torque study of Weyl semimetal compounds TaP and NbP up to 45 Tesla

    NASA Astrophysics Data System (ADS)

    Li, Gang; Asaba, Tomoya; Tinsman, Colin; Yu, Fan; Lawson, Benjamin; Chen, Yulin; Li, Lu

    Weyl semimetal is a recently proposed new state in condensed matter physics, in which the bulk bands could have three dimensional linear dispersion but the degeneracy at the cross point is lifted into a pair of Weyl points with opposite chirality. Among the predicted candidates, Tantalum monophorspide (TaP) and Niobium monophorspide (NbP) have the simplest composition and do not require extrinsic tuning. Photoemission data is accumulating and the unique Fermi-arc surface state is observed. Magnetotransport experiments has shown highly anisotropic magnetoresistance and quantum oscillations has been observed. Because both linear dispersive bands and conventional bands exist in these materials, a detailed study of the electronic strucuture of the bulk is highly desirable. We use torque magnetometry to study quantum oscillations of TaP and NbP down to 300 mK, and up to 45 Tesla, with focus on the angular dependence of oscillation frequencies. Our comparison shows clear difference in geometry of different bulk bands in these materials. Besides, a discussion will be made on high field torque data since 45 Tesla is high enough to push several of the bands into quantum limit.

  2. Newly developed Ti-Nb-Zr-Ta-Si-Fe biomedical beta titanium alloys with increased strength and enhanced biocompatibility.

    PubMed

    Kopova, Ivana; Stráský, Josef; Harcuba, Petr; Landa, Michal; Janeček, Miloš; Bačákova, Lucie

    2016-03-01

    Beta titanium alloys are promising materials for load-bearing orthopaedic implants due to their excellent corrosion resistance and biocompatibility, low elastic modulus and moderate strength. Metastable beta-Ti alloys can be hardened via precipitation of the alpha phase; however, this has an adverse effect on the elastic modulus. Small amounts of Fe (0-2 wt.%) and Si (0-1 wt.%) were added to Ti-35Nb-7Zr-6Ta (TNZT) biocompatible alloy to increase its strength in beta solution treated condition. Fe and Si additions were shown to cause a significant increase in tensile strength and also in the elastic modulus (from 65 GPa to 85 GPa). However, the elastic modulus of TNZT alloy with Fe and Si additions is still much lower than that of widely used Ti-6Al-4V alloy (115 GPa), and thus closer to that of the bone (10-30 GPa). Si decreases the elongation to failure, whereas Fe increases the uniform elongation thanks to increased work hardening. Primary human osteoblasts cultivated for 21 days on TNZT with 0.5Si+2Fe (wt.%) reached a significantly higher cell population density and significantly higher collagen I production than cells cultured on the standard Ti-6Al-4V alloy. In conclusion, the Ti-35Nb-7Zr-6Ta-2Fe-0.5Si alloy proves to be the best combination of elastic modulus, strength and also biological properties, which makes it a viable candidate for use in load-bearing implants.

  3. Modelling potential photovoltaic absorbers Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory.

    PubMed

    Kehoe, Aoife B; Scanlon, David O; Watson, Graeme W

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials' suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.

  4. Synthesis, crystal structure and properties of the new superconductors TaRuB and NbOsB

    NASA Astrophysics Data System (ADS)

    Zheng, Qiang; Gumeniuk, Roman; Rosner, Helge; Schnelle, Walter; Prots, Yurii; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas

    2015-10-01

    Two new ternary compounds TaRuB and NbOsB were synthesized by arc-melting and annealing at 1500-1850 °C. They crystallize in orthorhombic primitive structures with space group Pbam. Magnetic susceptibility, electrical resistivity, and specific heat measurements reveal bulk superconductivity for metallic TaRuB with a {{T}\\text{c}}≈ 4 K. Electronic structure calculations by DFT methods show that 4d and 5d transition-metal states dominate the density of states (DOS) at the Fermi level {{E}\\text{F}} with a pronounced quasi one-dimensional behaviour along the [0 0 1] direction. Comparison of the calculated DOS at {{E}\\text{F}} with specific heat data reveals a moderate electron-phonon coupling. Possible small boron vacancies could significantly reduce the DOS at {{E}\\text{F}} , hence decrease {{T}\\text{c}} for samples annealed at higher temperatures. For NbOsB, the DOS({{E}\\text{F}} ) is strongly reduced due to an increase of covalent bonding interactions between Os and B. Accordingly, a lower {{T}\\text{c}} ≈ 1 K is observed.

  5. Th-REE- and Nb-Ta-accessory minerals in post-collisional Ediacaran felsic rocks from the Katerina Ring Complex (S. Sinai, Egypt): An assessment for the fractionation of Y/Nb, Th/Nb, La/Nb and Ce/Pb in highly evolved A-type granites

    NASA Astrophysics Data System (ADS)

    Moreno, J. A.; Molina, J. F.; Bea, F.; Abu Anbar, M.; Montero, P.

    2016-08-01

    The relationships of Y/Nb, Th/Nb, La/Nb and Ce/Pb ratios in A-type felsic rocks from the Ediacaran Katerina Ring Complex, northernmost Arabian-Nubian Shield (ANS; S. Sinai, Egypt), are investigated in this work to understand their behavior during generation of highly evolved granitic magmas and to explore the nature of magma sources. Textural and compositional relationships of cognate Th-REE- and Nb-Ta-accessory minerals in Katerina felsic rocks show that chevkinite-group minerals (CGM), monazite, thorite, allanite and xenotime formed from residual liquids in quartz syenite porphyries, quartz monzonites and peralkaline granites, whereas in aluminous granites, allanite and monazite crystallized early, and thorite and columbite formed from residual liquids. Relationships of Y/Nb, Th/Nb, La/Nb and Ce/Pb ratios with Zr/Hf ratios in the aluminous granites and with Be abundances in the peralkaline granites suggest a decrease in La/Nb and Ce/Pb ratios in the former, and in Y/Nb and La/Nb ratios in the latter with crystallization progress. This contrasts with absence of systematic variations of Th/Nb and Ce/Pb ratios in the peralkaline compositions and of Y/Nb ratio in the aluminous ones. In this latter, Th/Nb ratio can present a significant decrease only in highly evolved compositions. An analysis of Y/Nb, Th/Nb, La/Nb and Ce/Pb relationships in worldwide OIB and subduction-related magmatic suites reveals that A-type felsic rocks with (Th/Nb)N < 1.3, (La/Nb)N < 1.3, and (Ce/Pb)N > 1 may have A1-type affinity, and those with (Th/Nb)N > 2, (La/Nb)N > 2, and (Ce/Pb)N < 1 tend to present A2-type affinity. The crystal fractionation of Th-LREE- and Nb-Ta-accessory minerals and mixing of components derived from the two granite groups may cause deviations from these compositional limits that can be evaluated using constraints imposed by Th/Nb-La/Nb, Ce/Pb-Th/Nb and Ce/Pb-La/Nb relationships in OIB and subduction-related magmatic suites. Three mantle sources might have been

  6. Molten salt synthesis, characterization, and luminescence properties of GdNbO{sub 4}/LuTaO{sub 4}:Eu{sup 3+} phosphors

    SciTech Connect

    Lin, Jintai; Zhou, Zhan; Wang, Qianming

    2013-08-01

    Graphical abstract: Well crystallized GdNbO4:Eu3{sup +} and LuTaO{sub 4}:Eu3{sup +} in the presence of fluxes were formed under reduced temperature in contrast to conventional method and their photophysical properties were studied. - Highlights: • Molten salt method was used to assemble two phosphors. • Both GdNbO{sub 4}:Eu{sup 3+} and LuTaO{sub 4}:Eu{sup 3+} could be red emissive. • The two powders were well dispersed as nano-particles. - Abstract: GdNbO{sub 4}:Eu{sup 3+} and LuTaO{sub 4}:Eu{sup 3+} have been successfully prepared with different fluxes (NaCl, KCl, NaCl and KCl) by the molten salt method. X-ray diffraction (XRD) patterns illustrated that well crystallized GdNbO{sub 4}:Eu{sup 3+} and LuTaO{sub 4}:Eu{sup 3+} in the presence of fluxes were formed under reduced temperature (900 °C) in contrast to conventional method (GdNbO{sub 4}:Eu{sup 3+}: around 1200 °C; LuTaO{sub 4}:Eu{sup 3+}: around 1500 °C). Scanning electron microscope (SEM) images revealed that well dispersed particles were achieved (granular or rod-like structures). Meanwhile, the photo-luminescent studies demonstrated that both niobate and tantalate are efficient hosts to sensitize europium red emissions. The results indicated that GdNbO{sub 4}:Eu{sup 3+} using NaCl as the flux gave much enhanced red emission whereas LuTaO{sub 4}:Eu{sup 3+} synthesized with the assistance of mixed salts (NaCl–KCl) achieved the best luminescence.

  7. Geochemical evolution of micas and Sn-, Nb-, Ta- mineralization associated with the rare metal pegmatite in Angwan Doka, central Nigeria

    NASA Astrophysics Data System (ADS)

    Akoh, Juliet U.; Ogunleye, Paul O.; Ibrahim, Aliyu A.

    2015-12-01

    The pegmatites in Angwan Doka, north central Nigeria are genetically related to the basement granites formed during the Pan-African orogeny, 550-530 Ma ago. They occur as sharply discordant dykes in the granitic and metasedimentary basement rocks. The pegmatite population comprises of mineralogically simple and complexly zoned types that are characterized by LCT (Li, Cs and Ta) geochemical signature. The host granitoids range in composition from hornblende, titanite-bearing to biotite-muscovite granodiorites. Analysis of geochemical data of whole rock and muscovite from the different zones reveals compositional variations and evolution across the pegmatite body from border zone to the lepidolite-quartz core zone. Fractionation of Rb, Cs, Sr, Li, F, B, Be Sn, Zn, Ta, Nb and Mn which increases from host granitoids, through the border zone to the central core, with decrease in Fe, Mg, Ti, Ba content, is typical and marks the magmatic crystallization trend of the pegmatites. Other distinctive attribute of the pegmatites is occurrence of cassiterite believed to have formed as a consequence of greisenization, albitization and late-stage metasomatism, which led to enrichment in Sn (up to 886 ppm) in the intermediate zone. Chemical composition of muscovite from the different zones of the pegmatite reveals high concentration of primary magmatic columbite-Fe (ferrocolumbite and ferrotantalite) in the border zone and tantalite-Mn (manganocolumbite and manganotantalite) in the core zone. Ta predominates (352 ppm) in the most evolved lepidolite (Li- and F-rich) zone while Nb was enriched (up to 714 ppm) in the border zone. These geochemical features are ascribed to undercooling of the melt and crystallization in boundary layers accompanied with increased accumulation of incompatible and fluxing components. With increasing fractionation, Nb/Ta and Fe/Mn ratio decreased and is accompanied with increase in Rb, Cs, Li, F and Be typical of crystallization from magmatic process. The

  8. Reverse Transformation of Deformation-Induced Phases and Associated Changes in the Microstructure of Explosively Clad Ti-5Ta-2Nb and 304L SS

    NASA Astrophysics Data System (ADS)

    Prasanthi, T. N.; Sudha, C.; Murugesan, S.; Thomas Paul, V.; Saroja, S.

    2015-10-01

    Ti-5Ta-2Nb alloy was joined to 304L austenitic stainless steel by explosive cladding technique. Explosive cladding resulted in the formation of deformation-induced martensite in 304L SS and fcc phase of Ti in the Ti-5Ta-2Nb side of the joint. The stability of these metastable phases was systematically studied using high-temperature X-ray diffraction technique and transmission electron microscopy, which enabled the optimization of the temperature window for post-cladding heat treatments.

  9. Crystal structures and photocatalysis of the triclinic polymorphs of BiNbO{sub 4} and BiTaO{sub 4}

    SciTech Connect

    Muktha, B.; Darriet, J.; Madras, Giridhar; Guru Row, T.N. . E-mail: ssctng@sscu.iisc.ernet.in

    2006-12-15

    The high-temperature polymorphs of two photocatalytic materials, BiNbO{sub 4} and BiTaO{sub 4} were synthesized by the ceramic method. The crystal structures of these materials were determined by single-crystal X-ray diffraction. BiNbO{sub 4} and BiTaO{sub 4} crystallize into the triclinic system P1-bar (No. 2), with a=5.5376(4) A, b=7.6184(3) A, c=7.9324(36) A, {alpha}=102.565(3){sup o}, {beta}=90.143(2){sup o}, {gamma}=92.788 (4){sup o}, V=326.21 (5) A{sup 3}, Z=4 and a=5.931 (1) A, b=7.672 (2) A, c=7.786 (2) A, {alpha}=102.94 (3){sup o}, {beta}=90.04 (3){sup o}{gamma}=93.53 (3){sup o}, V=344.59 (1) A{sup 3} and Z=4, respectively. The structures along the c-axis, consist of layers of [Bi{sub 2}O{sub 2}] units separated by puckered sheets of (Nb/Ta)O{sub 6} octahedra. Photocatalytic studies on the degradation of dyes indicate selectivity of BiNbO{sub 4} towards aromatics containing quinonic and azo functional groups. - Graphical abstract: Crystal structures of Bi(Nb/Ta)O{sub 4} along b-axis: triclinic form.

  10. RAPID COMMUNICATION: Influence of Ti and Ta doping on the irreversible strain limit of ternary Nb3Sn superconducting wires made by the restacked-rod process

    NASA Astrophysics Data System (ADS)

    Cheggour, N.; Goodrich, L. F.; Stauffer, T. C.; Splett, J. D.; Lu, X. F.; Ghosh, A. K.; Ambrosio, G.

    2010-05-01

    Nb3Sn superconducting wires made by the restacked-rod process (RRP®) were found to have a dramatically improved resilience to axial tensile strain when alloyed with Ti as compared to Ta. Whereas Ta-alloyed Nb3Sn in RRP wires showed permanent damage to its current-carrying capacity (Ic) when tensioned beyond an intrinsic strain as small as 0.04%, Ti-doped Nb3Sn in RRP strands exhibits a remarkable reversibility up to a tensile strain of about 0.25%, conceivably making Ti-doped RRP wires more suitable for the high field magnets used in particle accelerators and nuclear magnetic resonance applications where mechanical forces are intense. A strain cycling experiment at room temperature caused a significant drop of Ic in Ta-alloyed wires, but induced an increase of Ic in the case of Ti-doped strands. Whereas either Ti or Ta doping yield a similar enhancement of the upper critical field of Nb3Sn, the much improved mechanical behavior of Ti-alloyed wires possibly makes Ti a better choice over Ta, at least for the RRP wire processing technique. Contribution of NIST, an agency of the US government, not subjected to copyright.

  11. Effects of WO3 and Ta2O5 Dopants on the Structure, Microstructure, and Microwave Dielectric Properties of Ca5Nb4TiO17 Ceramics

    NASA Astrophysics Data System (ADS)

    Wang, Sea-Fue; Hsu, Yung-Fu; Chen, Chun-Ya

    2016-06-01

    Ca5Nb4TiO17 ceramics were doped with WO3 and Ta2O5 to improve their microwave dielectric properties. The substitution of W6+ into Nb5+/Ti4+ sites resulted in the reduction of the sintering temperatures of the Ca5Nb4-1.2 x W x TiO17 ceramics to 1450°C for x > 0.3 due to the formation of a second phase, CaWO4. In addition, the densification temperatures of the Ca5Nb4- x Ta x TiO17 ceramics increased with Ta5+ content. Some irregular grains of CaWO4 were observed in the microstructures with plate-like grains, which increased with increasing W6+ content in the Ca5Nb4-1.2 x W x TiO17 ceramics. All the Ca5Nb4- x Ta x TiO17 samples exhibited dense microstructures with closely packed plate-like grains and a few pores. The dielectric constant (ɛ r ) of the Ca5Nb4-1.2 x W x TiO17 ceramics decreased with increasing W6+ content from 45.0 for x = 0 to 36.4 for x = 0.9. This decrease occurred because the more highly polarizable Nb5+ ions were replaced by less polarizable W6+ ions at B-sites, and the formation of the CaWO4 second phase diluted ɛ r . The quality factor ( Q × f) reached a maximum of 26,478 GHz for x = 0.3 because of the cation distribution and decrease in the volume of cation sites as well as the increase in the average grain size. The CaWO4 second phase caused the temperature coefficient of the resonant frequency (τ f ) of the Ca5Nb4-1.2 x W x TiO17 ceramics to move in the positive direction. For the Ca5Nb4- x Ta x TiO17 ceramics, ɛ r decreased almost linearly with increasing Ta5+ content from 45.2 for x = 0 to 36.2 for x = 2.5 because of the dampening of the ionic mobility and decrease in the molecular polarizability. The Q × f and τ f values decreased with increasing x value.

  12. Signatures of Fermi Arcs in the Quasiparticle Interferences of the Weyl Semimetals TaAs and NbP.

    PubMed

    Chang, Guoqing; Xu, Su-Yang; Zheng, Hao; Lee, Chi-Cheng; Huang, Shin-Ming; Belopolski, Ilya; Sanchez, Daniel S; Bian, Guang; Alidoust, Nasser; Chang, Tay-Rong; Hsu, Chuang-Han; Jeng, Horng-Tay; Bansil, Arun; Lin, Hsin; Hasan, M Zahid

    2016-02-12

    The recent discovery of the first Weyl semimetal in TaAs provides the first observation of a Weyl fermion in nature. Such a topological semimetal features a novel type of anomalous surface state, the Fermi arc, which connects a pair of Weyl nodes through the boundary of the crystal. Here, we present theoretical calculations of the quasiparticle interference (QPI) patterns that arise from the surface states including the topological Fermi arcs in the Weyl semimetals TaAs and NbP. Most importantly, we discover that the QPI exhibits termination points that are fingerprints of the Weyl nodes in the interference pattern. Our results, for the first time, propose a universal interference signature of the topological Fermi arcs in TaAs, which is fundamental for scanning tunneling microscope (STM) measurements on this prototypical Weyl semimetal compound. More generally, our work provides critical guideline and methodology for STM studies on new Weyl semimetals. Further, the scattering channels revealed by our QPIs are broadly relevant to surface transport and device applications based on Weyl semimetals. PMID:26919003

  13. (Ag,Cu)-Ta-O ternaries as high-temperature solid-lubricant coatings.

    PubMed

    Gao, Hongyu; Otero-de-la-Roza, Alberto; Gu, Jingjing; Stone, D'Arcy; Aouadi, Samir M; Johnson, Erin R; Martini, Ashlie

    2015-07-22

    Ternary oxides have gained increasing attention due to their potential use as solid lubricants at elevated temperatures. In this work, the tribological properties of three ternary oxides-AgTaO3, CuTaO3, and CuTa2O6-were studied using a combination of density-functional theory (DFT), molecular dynamics (MD) simulations with newly developed empirical potential parameters, and experimental measurements (AgTaO3 and CuTa2O6 only). Our results show that the MD-predicted friction force follows the trend AgTaO3 < CuTaO3 < CuTa2O6, which is consistent with the experimentally measured coefficients of friction. The wear performance from both MD and experiment exhibits the opposite trend, with CuTa2O6 providing the best resistance to wear. The sliding mechanisms are investigated using experimental characterization of the film composition after sliding, quantification of Ag or Cu cluster formation at the interface during the evolution of the film in MD, and DFT energy barriers for atom migration on the material surface. All our observations are consistent with the hypothesis that the formation of metal (or metal oxide) clusters on the surface are responsible for the friction and wear behavior of these materials. PMID:26106877

  14. Influence of the B-site ordering on the magnetic properties of the new La{sub 3}Co{sub 2}MO{sub 9} double perovskites with M = Nb or Ta

    SciTech Connect

    Fuertes, V.C.; Blanco, M.C.; Franco, D.G.; De Paoli, J.M.; Sanchez, R.D.; Carbonio, R.E.

    2011-01-15

    Double perovskites La{sub 3}Co{sub 2}NbO{sub 9} and La{sub 3}Co{sub 2}TaO{sub 9} have been prepared by both solid state and sol-gel synthesis. The crystal structures have been studied from X-ray and neutron powder diffraction data. Rietveld refinements show that the crystal structure is monoclinic (P2{sub 1}/n), with different degrees of ordering of B' and B'' cations, with octahedra tilted according to the Glazer notation a{sup -}b{sup -}c{sup +}. Occupancy refinements show that the solid state materials are more B-site ordered than the sol-gel ones. Magnetization measurements show that these perovskites show two magnetic contributions, one with spontaneous magnetization and other with linear behaviour with the magnetic field associated to antiferromagnetic correlations. In the samples synthesized by solid state the spontaneous magnetization is more important than those synthesized by the sol-gel and present T{sub C} of 62 K for Nb and 72 K for Ta. On the other hand, materials prepared by sol-gel have T{sub C} 20 K for Nb and 40 K for Ta, respectively and major presence of the antiferromagnetic contribution. The competition between these magnetic behaviours is interpreted, by a microscopic point of view, as to be due to the different degrees of Co{sup 2+} ions disorder on the B site of the double perovskite structure. This disorder affects the ratio between the antiferromagnetic Co{sup 2+}-O-Co{sup 2+} and the ferromagnetic Co{sup 2+}-O-M{sup 5+}-O-Co{sup 2+} couplings proposed for the system.

  15. Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.

    PubMed

    Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard

    2015-07-20

    Colorless single crystals, as well as polycrystalline samples of TiTa2O7 and TiNb2O7, were grown directly from the melt and prepared by solid-state reactions, respectively, at various temperatures between 1598 K and 1983 K. The chemical composition of the crystals was confirmed by wavelength-dispersive X-ray spectroscopy, and the crystal structures were determined using single-crystal X-ray diffraction. Structural investigations of the isostructural compounds resulted in the following basic crystallographic data: monoclinic symmetry, space group I2/m (No. 12), a = 17.6624(12) Å, b = 3.8012(3) Å, c = 11.8290(9) Å, β = 95.135(7)°, V = 790.99(10) Å(3) for TiTa2O7 and a = 17.6719(13) Å, b = 3.8006(2) Å, c = 11.8924(9) Å, β = 95.295(7)°, V = 795.33(10) Å(3), respectively, for TiNb2O7, Z = 6. Rietveld refinement analyses of the powder X-ray diffraction patterns and Raman spectroscopy were carried out to complement the structural investigations. In addition, in situ high-temperature powder X-ray diffraction experiments over the temperature range of 323-1323 K enabled the study of the thermal expansion tensors of TiTa2O7 and TiNb2O7. To determine the hardness (H), and elastic moduli (E) of the chemical compounds, nanoindentation experiments have been performed with a Berkovich diamond indenter tip. Analyses of the load-displacement curves resulted in a hardness of H = 9.0 ± 0.5 GPa and a reduced elastic modulus of Er = 170 ± 7 GPa for TiTa2O7. TiNb2O7 showed a slightly lower hardness of H = 8.7 ± 0.3 GPa and a reduced elastic modulus of Er = 159 ± 4 GPa. Spectroscopic ellipsometry of the polished specimens was employed for the determination of the optical constants n and k. TiNb2O7 as well as TiTa2O7 exhibit a very high average refractive index of nD = 2.37 and nD = 2.29, respectively, at λ = 589 nm, similar to that of diamond (nD = 2.42). PMID:26132138

  16. Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.

    PubMed

    Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard

    2015-07-20

    Colorless single crystals, as well as polycrystalline samples of TiTa2O7 and TiNb2O7, were grown directly from the melt and prepared by solid-state reactions, respectively, at various temperatures between 1598 K and 1983 K. The chemical composition of the crystals was confirmed by wavelength-dispersive X-ray spectroscopy, and the crystal structures were determined using single-crystal X-ray diffraction. Structural investigations of the isostructural compounds resulted in the following basic crystallographic data: monoclinic symmetry, space group I2/m (No. 12), a = 17.6624(12) Å, b = 3.8012(3) Å, c = 11.8290(9) Å, β = 95.135(7)°, V = 790.99(10) Å(3) for TiTa2O7 and a = 17.6719(13) Å, b = 3.8006(2) Å, c = 11.8924(9) Å, β = 95.295(7)°, V = 795.33(10) Å(3), respectively, for TiNb2O7, Z = 6. Rietveld refinement analyses of the powder X-ray diffraction patterns and Raman spectroscopy were carried out to complement the structural investigations. In addition, in situ high-temperature powder X-ray diffraction experiments over the temperature range of 323-1323 K enabled the study of the thermal expansion tensors of TiTa2O7 and TiNb2O7. To determine the hardness (H), and elastic moduli (E) of the chemical compounds, nanoindentation experiments have been performed with a Berkovich diamond indenter tip. Analyses of the load-displacement curves resulted in a hardness of H = 9.0 ± 0.5 GPa and a reduced elastic modulus of Er = 170 ± 7 GPa for TiTa2O7. TiNb2O7 showed a slightly lower hardness of H = 8.7 ± 0.3 GPa and a reduced elastic modulus of Er = 159 ± 4 GPa. Spectroscopic ellipsometry of the polished specimens was employed for the determination of the optical constants n and k. TiNb2O7 as well as TiTa2O7 exhibit a very high average refractive index of nD = 2.37 and nD = 2.29, respectively, at λ = 589 nm, similar to that of diamond (nD = 2.42).

  17. Significant enhancement of compositional and superconducting homogeneity in Ti rather than Ta-doped Nb3Sn

    DOE PAGES

    Tarantini, C.; Sung, Z. -H.; Lee, P. J.; Ghosh, A. K.; Larbalestier, D. C.

    2016-01-25

    Nb3Sn wires are now very close to their final optimization but despite its classical nature, detailed understanding of the role of Ta and Ti doping in the A15 is not fully understood. Long thought to be essentially equivalent in their influence on Hc2, they were interchangeably applied. Here we show that Ti produces significantly more homogeneous chemical and superconducting properties. Despite Ta-doped samples having a slightly higher Tc onset in zero-field, they always have a wider Tc-distribution. In particular, whereas the Ta-doped A15 has a Tc-distribution extending from 18 down to 5-6 K (the lowest expected Tc for the binarymore » A15 phase), the Ti-doped samples have no A15 phase with Tc below ~12 K. The much narrower Tc distribution in the Ti-doped samples has a positive effect on their in-field Tc-distribution too, leading to an extrapolated μ0Hc2(0) 2 Tesla larger than the Ta-doped one. Ti-doping also appears to be very homogeneous even when the Sn content is reduced in order to inhibit breakdown of the diffusion barriers in very high Jc conductors. As a result, the enhanced homogeneity of the Ti-doped samples appears to result from its assistance of rapid diffusion of Sn into the filaments and by its incorporation into the A15 phase interchangeably with Sn on the Sn sites of the A15 phase.« less

  18. Octahedral and trigonal-prismatic coordination preferences in Nb-, Mo-, Ta-, and W-based ABX2 layered oxides, oxynitrides, and nitrides

    NASA Astrophysics Data System (ADS)

    Miura, Akira; Tadanaga, Kiyoharu; Magome, Eisuke; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Takahiro, Takei; Kumada, Nobuhiro

    2015-09-01

    Crystallographic and electronic structures of Nb-, Mo-, Ta-, and W-based layered oxides, oxynitrides, and nitrides were analyzed to elucidate the structural relationship between layered oxides and nitrides consisting of octahedral and trigonal-prismatic layers. The electron density, as derived by synchrotron X-ray analysis of LiNbO2 and Ta5-x(O,N)6, showed orbital overlaps between Nb-Nb and Ta-Ta metals in the trigonal layers. Computational calculations based on DFT exhibited that these overlaps stabilized these structures by lowering the hybridization states composed of the dxy, dx2-y2, and dz2 orbitals below the Fermi level. Crystal structures and formation energies suggest that tuning the Fermi level through the substitutions and vacancies of the cation/anion sites determines the structural preferences of the coordination. The properties and syntheses of these compounds are briefly described. This study enhances the understanding of layered oxides, oxynitrides, and nitrides to further the development of new synthetic approaches, compounds, and applications.

  19. Development of Low Cost Membranes (Ta, Nb & Cellulose Acetate) for H2/CO2 Separation in WGS Reactors

    SciTech Connect

    Seetala, Naidu; Siriwardane, Upali

    2011-12-15

    The main aim of this work is to synthesize low temperature bimetallic nanocatalysts for Water Gas Shift reaction (WGS) for hydrogen production from CO and steam mixture; and develop low-cost metal (Nb/Ta)/ceramic membranes for H2 separation and Cellulose Acetate membranes for CO2 separation. .

  20. A new mineral species rossovskyite, (Fe3+,Ta)(Nb,Ti)O4: crystal chemistry and physical properties

    NASA Astrophysics Data System (ADS)

    Konovalenko, Sergey I.; Ananyev, Sergey A.; Chukanov, Nikita V.; Rastsvetaeva, Ramiza K.; Aksenov, Sergey M.; Baeva, Anna A.; Gainov, Ramil R.; Vagizov, Farit G.; Lopatin, Oleg N.; Nebera, Tatiana S.

    2015-11-01

    A new mineral rossovskyite named after L.N. Rossovsky was discovered in granite pegmatites of the Bulgut occurrence, Altai Mts., Western Mongolia. Associated minerals are microcline, muscovite, quartz, albite, garnet of the almandine-spessartine series, beryl, apatite, triplite, zircon, pyrite, yttrobetafite-(Y) and schorl. Rossovskyite forms flattened anhedral grains up to 6 × 6 × 2 cm. The color of the mineral is black, and the streak is black as well. The luster is semi-metallic, dull. Mohs hardness is 6. No cleavage or parting is observed. Rossovskyite is brittle, with uneven fracture. The density measured by the hydrostatic weighing method is 6.06 g/cm2, and the density calculated from the empirical formula is 6.302 g/cm3. Rossovskyite is biaxial, and the color in reflection is gray to dark gray. The IR spectrum contains strong band at 567 cm-1 (with shoulders at 500 and 600 cm-1) corresponding to cation-oxygen stretching vibrations and weak bands at 1093 and 1185 cm-1 assigned as overtones. The reflection spectrum in visible range is obtained. According to the Mössbauer spectrum, the ratio Fe2+:Fe3+ is 35.6:64.4. The chemical composition is as follows (electron microprobe, Fe apportioned between FeO and Fe2O3 based on Mössbauer data, wt%): MnO 1.68, FeO 5.92, Fe2O3 14.66, TiO2 7.69, Nb2O5 26.59, Ta2O5 37.51, WO3 5.61, total 99.66. The empirical formula calculated on four O atoms is: {{Mn}}_{0.06}^{2 + } {{Fe}}_{0.21}^{2 + } {{Fe}}_{0.47}^{3 + } Ti0.25Nb0.51Ta0.43W0.06O4. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is monoclinic, space group P2/ c, a = 4.668(1), b = 5.659(1), c = 5.061(1) Å, β = 90.21(1)º; V = 133.70(4) Å3, Z = 2. Topologically, the structure of rossovskyite is analogous to that of wolframite-group minerals. The crystal-chemical formula of rossovskyite is [(Fe3+, Fe2+, Mn)0.57Ta0.32Nb0.11][Nb0.40Ti0.25Fe0.18Ta0.11W0.06]O4. The strongest lines of the powder X-ray diffraction pattern

  1. Structural, elastic, electronic and optical properties of Cu3MTe4 (M = Nb, Ta) sulvanites — An ab initio study

    NASA Astrophysics Data System (ADS)

    Ali, M. A.; Roknuzzaman, M.; Nasir, M. T.; Islam, A. K. M. A.; Naqib, S. H.

    2016-04-01

    The elastic, electronic, and optical properties of Cu3MTe4 (M = Nb, Ta) are investigated for the first time using the density-functional formalism. The optimized crystal structure is obtained and the lattice parameters are compared with available experimental data. Different elastic moduli are calculated. The Born criteria for mechanical stability are found to be fulfilled from the estimated values of the elastic moduli, Cij. The band structure and the electronic energy density of states (EDOS) are also determined. The band structure calculations show semiconducting behavior for both the compounds. The theoretically calculated values of the band gaps are found to be strongly dependent on the nature of the functional representing the exchange correlations. Technologically significant optical parameters (e.g., dielectric function, refractive index, absorption coefficient, optical conductivity, reflectivity, and loss function) have been determined. Important conclusions are drawn based on the theoretical findings.

  2. The oxidation of TaBe sub 12 and NbBe sub 12 coatings on niobium

    SciTech Connect

    Courtright, E.L.

    1990-01-01

    The oxidation behavior of tantalum and niobium beryllide coatings on niobium were evaluated. Intermetallic bond layers consisting of Ir{sub 3}Ta and Ir{sub 3}Nb were used to butter the large thermal expansion mismatch between the beryllide coatings and underlying niobium substrate. All coatings were applied by Triode Sputtering except for a final environmental protection layer of stabilized zirconia deposited by RF Diode using a ceramic target. Severe delamination and spalling occurred during cyclic oxidation exposure, even at temperatures as low as 925{degrees}C, indicating that the bond layer did not prevent the differential expansion stresses from reaching the delamination failure threshold, particularly at the edges and corners. Hot pressed samples of the two beryllide compounds were also exposed to a similar cyclic oxidation history, but, in contrast to the coatings, exhibited excellent oxidation resistance to temperatures as high as 1370{degrees}C. 9 refs., 8 figs., 1 tab.

  3. Phonon and thermal expansion properties in Weyl semimetals MX (M = Nb, Ta; X = P, As): ab initio studies.

    PubMed

    Chang, Dahu; Liu, Yaming; Rao, Fengfei; Wang, Fei; Sun, Qiang; Jia, Yu

    2016-06-01

    Weyl semimetal (WSM) is a new type of topological quantum material for future spintronic devices. Using the first-principles density functional theory, we systematically investigated the thermal expansion properties, and the temperature dependence of isovolume heat capacity and bulk modulus in WSMs MX (M = Nb, Ta; X = P, As). We also presented the phonon dispersion curves and its variation under stress in MX and the anisotropic thermal expansion properties due to the anisotropic crystal structure in WSMs have been predicted in our calculations. Intriguing, we found that the heat capacities increase more rapidly with increasing temperature in the low temperature region for all MX. Furthermore, our results showed that the thermal expansion properties are determined mainly by the isovolume heat capacity at low temperatures, while the bulk modulus has the major effect at high temperatures. These results are useful for applications of WSMs in electronic and spintronic devices. PMID:27174542

  4. Bioactive surface modification of Ti-29Nb-13Ta-4.6Zr alloy through alkali solution treatments.

    PubMed

    Takematsu, E; Katsumata, K; Okada, K; Niinomi, M; Matsushita, N

    2016-05-01

    Bioactive surface modification of Ti-29Nb-13Ta-4.6Zr alloy (TNTZ) was performed through three different alkali solution treatments, including the electrochemical (E), hydrothermal (H), and hydrothermal-electrochemical (HE) processes; all of the processes lead to the formation of sodium-contained amorphous titanium oxide layers on TNTZ samples. The TNTZ samples subjected to the E, H, and HE processes exhibit a flat surface, smooth and fine mesh-like structure surface, and rough mesh-like structure surface, respectively. In the bioactive test, namely, simulated body fluid test, apatite inductivity increases as the surface morphology becomes rough. The order of inductivity for the three processes was HE>H>E. The surface chemical composition also affects the apatite induction ability. The surface with fewer niobium species exhibits better apatite inductivity. PMID:26952470

  5. Growth and properties of Li, Ta modified (K,Na)NbO3 lead-free piezoelectric single crystals.

    PubMed

    Huo, Xiaoqing; Zheng, Limei; Zhang, Shujun; Zhang, Rui; Liu, Gang; Wang, Rui; Yang, Bin; Cao, Wenwu; Shrout, Thomas R

    2014-01-01

    Li, Ta modified (K,Na)NbO3 single crystals with the size of 18 mm × 18 mm × 10 mm were successfully grown by top-seeded solution growth method, with orthorhombic-tetragonal phase transition temperature ~79 °C and Curie temperature ~276 °C. The electromechanical coupling factors k33 and kt were found to be ~88% and ~65%, respectively. The piezoelectric coefficient d33 for the [001]c poled crystals reached 255 pC/N. In addition, the electromechanical coupling factor exhibited high stability over the temperature range of -50 °C to 70 °C, making these lead free crystals good candidates for electromechanical applications.

  6. Growth and properties of Li, Ta modified (K,Na)NbO3 lead-free piezoelectric single crystals

    PubMed Central

    Huo, Xiaoqing; Zheng, Limei; Zhang, Shujun; Zhang, Rui; Liu, Gang; Wang, Rui; Yang, Bin; Cao, Wenwu; Shrout, Thomas R.

    2014-01-01

    Li, Ta modified (K,Na)NbO3 single crystals with the size of 18 mm × 18 mm × 10 mm were successfully grown by top-seeded solution growth method, with orthorhombic–tetragonal phase transition temperature ~79 °C and Curie temperature ~276 °C. The electromechanical coupling factors k33 and kt were found to be ~88% and ~65%, respectively. The piezoelectric coefficient d33 for the [001]c poled crystals reached 255 pC/N. In addition, the electromechanical coupling factor exhibited high stability over the temperature range of −50 °C to 70 °C, making these lead free crystals good candidates for electromechanical applications. PMID:25404953

  7. Bioactive surface modification of Ti-29Nb-13Ta-4.6Zr alloy through alkali solution treatments.

    PubMed

    Takematsu, E; Katsumata, K; Okada, K; Niinomi, M; Matsushita, N

    2016-05-01

    Bioactive surface modification of Ti-29Nb-13Ta-4.6Zr alloy (TNTZ) was performed through three different alkali solution treatments, including the electrochemical (E), hydrothermal (H), and hydrothermal-electrochemical (HE) processes; all of the processes lead to the formation of sodium-contained amorphous titanium oxide layers on TNTZ samples. The TNTZ samples subjected to the E, H, and HE processes exhibit a flat surface, smooth and fine mesh-like structure surface, and rough mesh-like structure surface, respectively. In the bioactive test, namely, simulated body fluid test, apatite inductivity increases as the surface morphology becomes rough. The order of inductivity for the three processes was HE>H>E. The surface chemical composition also affects the apatite induction ability. The surface with fewer niobium species exhibits better apatite inductivity.

  8. New insights into magma source compositions: constraints from combined Zr/Hf and Nb/Ta systematics

    NASA Astrophysics Data System (ADS)

    Bennett, S.; Elliott, T.; Blundy, J.

    2003-04-01

    Knowledge of the behaviour of trace elements in the mantle is a pre-requisite for the modelling and ultimately, understanding of mantle processes. As new, improved analytical techniques are developed additional groups of elements can be exploited to this end. One such group are the High Field Strength Elements (HFSE). Conventional wisdom suggests that the HFSE pairs Zr-Hf and Nb-Ta should behave as "geochemical twins" retaining chondritic ratios during petrogenetic processes such as melt generation and fractional crystallisation. However, precise measurements of these elements using Isotope Dilution (ID)- Plasma Ionisation Multi-collector Mass Spectrometry (PIMMS) are able to demonstrate that Zr/Hf and Nb/Ta show considerable variation between samples [1,2,3]. We have also developed new high precision separation and measurement techniques for the HFSE to specifically investigate the origin of the "garnet signature" in MORB and OIB [4,5,6]. Experiments carried out in simple synthetic systems by van Westrenen et al [7] suggest that DZr < DHf for pyropic garnets, such as those found in garnet peridotite, but the reverse, DZr > DHf is true of grossular rich garnets as would be present in a eclogitic source component of recycled crustal origin. This suggests that the HFSE have the potential to distinguish between these two garnet-bearing mantle sources. We will present data on a range of mantle derived melts with variable "garnet signatures" in order to address this issue. [1]Weyer et al. (2003), EPSL 205, 309-324. [2]Büchl et al. (2002), Goldschmidt Abstracts, A108. [3]David et al. (2000), EPSL 178, 285-301. [4]Hirschmann and Stolper (1996), CMP 124, 185-208. [5]Hirschmann (1996), Nature 384, 215-217. [6]Stracke et al. (1999), G-cubed, 1. [7]van Westrenen et al. (1999), Am. Min 84, 838-847.

  9. Modelling potential photovoltaic absorbers Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory.

    PubMed

    Kehoe, Aoife B; Scanlon, David O; Watson, Graeme W

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials' suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices. PMID:27033972

  10. Tailoring the magnetic properties of new Fe-Ni-Co-Al-(Ta,Nb)-B superelastic rapidly quenched microwires

    NASA Astrophysics Data System (ADS)

    Borza, F.; Lupu, N.; Dobrea, V.; Chiriac, H.

    2015-05-01

    Ferromagnetic Fe-Ni-Co-Al-(Ta,Nb)-B microwires with diameters from 170 μm to 50 μm, which possess both superelastic and good magnetic properties, have been prepared by rapid quenching from the melt using the in rotating water spinning technique followed by cold-drawing and ageing. The cold-drawing and annealing processes lead to the initialization of premartensitic phases as confirmed by the X-ray diffraction and scanning transmission electron microscopic investigations, more significantly in the 50 μm cold-drawn microwires. An increase in the coercive field and in the saturation magnetization has been obtained by annealing, more importantly in the case of Nb-containing alloy. Ageing by thermal or current annealing led to the initialization of the superelastic effect. High values of strain of up to 1.8%, very good repeatability under successive loading, and values of superelastic effect of up to 1.2% have been achieved. The structural analysis coupled with the stress-strain data suggests that these materials annealed at 800 °C have superelastic potential at reduced ageing times. The magnetic behavior was found to be easily tailored through both thermal and thermomagnetic treatments with changes in the magnetic parameters which can be contactless detected. The results are important for future applications where both mechanical and magnetic properties matter, i.e., sensing/actuating systems.

  11. Tailoring the magnetic properties of new Fe-Ni-Co-Al-(Ta,Nb)-B superelastic rapidly quenched microwires

    SciTech Connect

    Borza, F. Lupu, N.; Dobrea, V.; Chiriac, H.

    2015-05-07

    Ferromagnetic Fe-Ni-Co-Al-(Ta,Nb)-B microwires with diameters from 170 μm to 50 μm, which possess both superelastic and good magnetic properties, have been prepared by rapid quenching from the melt using the in rotating water spinning technique followed by cold-drawing and ageing. The cold-drawing and annealing processes lead to the initialization of premartensitic phases as confirmed by the X-ray diffraction and scanning transmission electron microscopic investigations, more significantly in the 50 μm cold-drawn microwires. An increase in the coercive field and in the saturation magnetization has been obtained by annealing, more importantly in the case of Nb-containing alloy. Ageing by thermal or current annealing led to the initialization of the superelastic effect. High values of strain of up to 1.8%, very good repeatability under successive loading, and values of superelastic effect of up to 1.2% have been achieved. The structural analysis coupled with the stress-strain data suggests that these materials annealed at 800 °C have superelastic potential at reduced ageing times. The magnetic behavior was found to be easily tailored through both thermal and thermomagnetic treatments with changes in the magnetic parameters which can be contactless detected. The results are important for future applications where both mechanical and magnetic properties matter, i.e., sensing/actuating systems.

  12. Two-Dimensional Nb-Based M 4 C 3 Solid Solutions (MXenes)

    DOE PAGES

    Yang, Jian; Naguib, Michael; Ghidiu, Michael; Pan, Li-Mei; Gu, Jian; Nanda, Jagjit; Halim, Joseph; Gogotsi, Yury; Barsoum, Michel W.; Zhou, Y.

    2015-10-15

    Two new two-dimensional Nb4C3-based solid solutions (MXenes), (Nb0.8,Ti0.2)4C3Tx and (Nb0.8,Zr0.2)4C3Tx (where T is a surface termination) were synthesizedas confirmed by X-ray diffractionfrom their corresponding MAX phase precursors (Nb0.8,Ti0.2)4AlC3 and (Nb0.8,Zr0.2)4AlC3. In our report we discuss Zr-containing MXene. We also studied intercalation of Li ions into these two compositions, and Nb4C3Tx in order to determine the potential of those materials for energy storage applications. Lithiation and delithiation peaks at 2.26 and 2.35 V, respectively, appeared in the case of Nb4C3Tx, but were not present in Nb2CTx. After 20 cycles at a rate of C/4, the specific capacities of (Nb0.8,Ti0.2)4C3Txand (Nb0.8,Ti0.2)4C3Tx weremore » 158 and 132 mAh/g, respectively, both slightly lower than the capacity of Nb4C3Tx.« less

  13. Processing, physical metallurgy and creep of NiAl + Ta and NiAl + Nb alloys. Ph.D. Thesis. Final Contractor Report

    NASA Technical Reports Server (NTRS)

    Pathare, Viren M.

    1988-01-01

    Powder processed NiAl + Ta alloys containing 1, 2, and 4.5 at percent tantalum and NiAl + Nb alloys containing 1 and 2 at percent niobium were developed for improved creep properties. In addition, a cast alloy with 5 at percent tantalum was also studied. Hot extrusion parameters for processing alloys with 1 and 2 at percent of tantalum or niobium were designed. The NiAl + 4.5 at percent Ta alloy could be vacuum hot pressed successfully, even though it could not be extruded. All the phases in the multiphase alloys were identified and the phase transformations studied. The Ni2AlTa in NiAl + 4.5 at percent Ta alloy transforms into a liquid phase above 1700 K. Solutionizing and annealing below this temperature gives rise to a uniform distribution of fine second phase precipitates. Compressive creep properties were evaluated at 1300 K using constant load and constant velocity tests. In the higher strain rate region single phase NiAl + 1 at percent Ta and NiAl + 1 at percent Nb alloys exhibit a stress exponent of 5 characteristic of climb controlled dislocation creep. In slower strain rate regime diffusional creep becomes important. The two phase alloys containing 2 to 5 at percent Ta and 2 at percent Nb show considerable improvement over binary NiAl and single phase alloys. Loose dislocation networks and tangles stabilized by the precipitates were found in the as crept microstructure. The cast alloy which has larger grains and a distribution of fine precipitates shows the maximum improvement over binary NiAl.

  14. CO oxidation on Ta-Modified SnO2 solid solution catalysts

    NASA Astrophysics Data System (ADS)

    Han, Xue; Xu, Xianglan; Liu, Wenming; Wang, Xiang; Zhang, Rongbin

    2013-06-01

    Co-precipitation method was adopted to prepare Sn-Ta mixed oxide catalysts with different Sn/Ta molar ratios and used for CO oxidation. The catalysts were investigated by N2-Brunauer-Emmett-Teller (N2-BET), X-ray diffraction patterns (XRD), H2-temperature programmed reduction (H2-TPR), Thermal Gravity Analysis - Differential Scanning Calorimetry (TGA-DSC) techniques. It is revealed that a small amount of Ta cations can be doped into SnO2 lattice to form solid solution by co-precipitation method, which resulted in samples having higher surface areas, improved thermal stability and more deficient oxygen species on the surface of SnO2. As a result, those Sn rich Sn-Ta solid solution catalysts with an Sn/Ta molar ratio higher than 4/2 showed significantly enhanced activity as well as good resistance to water deactivation. It is noted here that if tantala disperses onto SnO2 surface instead of doping into its lattice, it will then have negative effect on its activity.

  15. Effect of isovalent substitution on microstructure and phase transition of LaNb{sub 1−x}M{sub x}O{sub 4} (M=Sb, V or Ta; x=0.05–0.3)

    SciTech Connect

    Wachowski, S.; Gazda, M.

    2014-11-15

    LaNb{sub 1−x}M{sub x}O{sub 4} oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric measurements phase transition temperatures and thermal expansion coefficients of the studied materials were determined. It was shown that with increasing concentration of Sb the phase transition temperature decreases. Thermal expansion coefficient of the antimony substituted samples above the transition temperature is in the range from 8.1 to 9.1×10{sup −6} 1/K, whereas below the transition temperature the TEC value is between 14 and 17.3×10{sup −6} 1/K. Influence of Ta, V and Sb substitutions on the microstructure and grain size was studied. - Graphical abstract: Substitution of niobium by other pentavalent elements in LaNbO{sub 4} leads to change in phase transition temperature. In case of Sb substituent a shift of phase transition into the lower temperature region is observed. LaNb{sub 0.7}Sb{sub 0.3}O{sub 4} substitution allows to achieve material with tetragonal crystal structure at room temperature and no phase transition up to 1000 °C. - Highlights: • Antimony doped lanthanum niobate was successfully synthesized by solid state synthesis method. • The structural properties have been investigated by XRD and SEM. • The influence of doping on phase transition temperature has been studied.

  16. Thermoelectric Properties of Fe2VAl and Fe2V0.75M0.25Al (M = Mo, Nb, Ta) Alloys: First-Principles Calculations

    NASA Astrophysics Data System (ADS)

    Al-Yamani, H.; Hamad, B.

    2016-02-01

    Ab initio investigations of the structural, electronic, and thermoelectric properties of stoichiometric Fe2VAl full-Heusler alloy and Fe2V0.75M0.25Al (M = Mo, Nb, Ta) nonstoichiometric alloys have been performed using density functional theory on the basis of the full-potential linearized augmented plane wave method with the generalized gradient approximation. The thermoelectric properties are calculated using semiclassical Boltzmann transport theory within the constant-relaxation-time approximation. Fe2VAl, Fe2V0.75Nb0.25Al, and Fe2V0.75Ta0.25Al alloys are found to exhibit a semimetallic behavior, while Fe2V0.75Mo0.25Al acts as a metal. We found that Fe2VAl has a pseudogap of about -0.13 eV, whereas Fe2V0.75Nb0.25Al and Fe2V0.75Ta0.25Al are characterized by a zero energy gap around the Fermi level. Thermoelectric calculations showed that Fe2VAl has both p- and n-type thermoelectric properties, where the p-type thermopower values are found to be higher than those of n-type. The Seebeck coefficient S has maximum values from 20 μV K-1 to 125 μV K-1 and from 19 μV K-1 to 90 μV K-1 in the temperature range of 100 K to 800 K for p- and n-type, respectively. The maximum thermoelectric properties can be obtained at carrier concentration of the order of 1020 cm-3 for p- or n-type doping. Substitution of Nb and Ta atoms enhanced the thermoelectric properties to 150 μV K-1 at 800 K. The optimum concentrations for the three partially substituted alloys were found to be between 1020 cm-3 and 1021 cm-3.

  17. XAFS Studies of Ni Ta and Nb Chlorides in the Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Chloride / Aluminum Chloride

    SciTech Connect

    W OGrady; D Roeper; K Pandya; G Cheek

    2011-12-31

    The structures of anhydrous nickel, niobium, and tantalum chlorides have been investigated in situ in acidic and basic ionic liquids (ILs) of 1-methyl-3-ethylimidazolium chloride (EMIC)/AlCl{sub 3} with X-ray absorption spectroscopy (XAS). The coordination of NiCl{sub 2} changes from tetrahedral in basic solution to octahedral in acidic solution. The NiCl{sub 2} is a strong Lewis acid in that it can induce the AlCl{sub 3} to share its chlorides in the highly acidic IL, forming a structure with six near Cl{sup -} ions and eight further distant Al ions which share the chloride ions surrounding the Ni{sup 2+}. When Nb{sub 2}Cl{sub 10}, a dimer, is added to the acidic or basic solution, the dimer breaks apart and forms two species. In the acid solution, two trigonal bipyramids are formed with five equal chloride distances, while in the basic solution, a square pyramid with four chlorides forming a square base and one shorter axial chloride bond. Ta{sub 2}Cl{sub 10} is also a dimer and divides into half in the acidic solution and forms two trigonal bipyramids. In the basic solution, the dimer breaks apart but the species formed is sufficiently acidic that it attracts two additional chloride ions and forms a seven coordinated tantalum species.

  18. Deformation-induced ω phase in modified Ti-29Nb-13Ta-4.6Zr alloy by Cr addition.

    PubMed

    Li, Qiang; Niinomi, Mitsuo; Hieda, Junko; Nakai, Masaaki; Cho, Ken

    2013-08-01

    For spinal-fixation applications, implants should have a high Young's modulus to reduce springback during operations, though a low Young's modulus is required to prevent stress shielding for patients after surgeries. In the present study, Ti-29Nb-13Ta-4.6Zr alloy (TNTZ) with a low Young's modulus was modified by adding Cr to obtain a higher deformation-induced Young's modulus in order to satisfy these contradictory requirements. Two newly designed alloys, TNTZ-8Ti-2Cr and TNTZ-16Ti-4Cr, possess more stable β phases than TNTZ. These alloys consist of single β phases and exhibit relatively low Young's moduli of <65GPa after solution treatment. However, after cold rolling, they exhibit higher Young's moduli owing to a deformation-induced ω-phase transformation. These modified TNTZ alloys show significantly less springback than the original TNTZ alloy based on tensile and bending loading-unloading tests. Thus, the Cr-added TNTZ alloys are beneficial for spinal-fixation applications. PMID:23624220

  19. High-Temperature Deformation Characteristics of a β-Type Ti-29Nb-13Ta-4.6Zr Alloy

    NASA Astrophysics Data System (ADS)

    Ghanbari, E.; Zarei-Hanzaki, A.; Farghadany, E.; Abedi, H. R.; Khoddam, Sh.

    2016-04-01

    The hot deformation behavior of a biomedical β-type Ti-Nb-Ta-Zr alloy has been studied through applying hot compression tests over a wide range of temperatures and strain rates (600-900 °C and 0.003-0.3 s-1). The main microstructural feature of the specimens, which were deformed at 900 °C, is the pancaked primary grains decorated by the serrated boundaries. The latter may well imply to the occurrence of dynamic recovery. The dynamic recrystallization however is considered as the main restoration mechanism in the specimens, which were deformed at 800 °C under all strain rates. The sizes of the new recrystallized grains well follow the serration amplitude of the primary grain boundaries. At lower deformation temperatures (600 and 700 °C), the strain rate sensitivity is suddenly decreased and ended to the strain localization in the form of macro shear band. The higher accumulated energy within the shear band zones appears to stimulate the occurrence of dynamic recrystallization. To further clarify the high-temperature flow behavior of the experimental alloy, a quantitative approach has been also employed. The observed flow hardening and softening has been justified considering the evolved microstructural features.

  20. Orientation-dependent electromechanical properties of Mn-doped (Li,Na,K)(Nb,Ta)O3 single crystals

    NASA Astrophysics Data System (ADS)

    Liu, Hairui; Koruza, Jurij; Veber, Philippe; Rytz, Daniel; Maglione, Mario; Rödel, Jürgen

    2016-10-01

    Orientation and temperature dependence of dielectric and electromechanical properties of Mn-doped (Li,Na,K)(Nb,Ta)O3 single crystals were investigated. Samples exhibited very low dielectric losses, with tanδ between 0.03 and 0.05 over a broad temperature range between room temperature and 480 °C. Influences of the crystallographic structure and external electric field on polarization and strain parameters are discussed. The orientation-dependent electrical properties were ascribed to the anisotropic polarization rotation in the crystals. Higher maximum polarization, coercive field, and negative strain were achieved when the electric field was oriented along one of the spontaneous polarization directions. The highest maximum unipolar strain of 0.42% (at 3 kV/mm) and the normalized strain d33* of 1391 pm/V were obtained in the [001]PC-oriented sample at 100 °C, which was much higher than the values obtained for the [110]PC-oriented sample. Further insight of the phase transition behavior is given by comparing the temperature-dependence of the small- and large-signal dielectric and piezoelectric properties. The observed changes are rationalized by the different increase rates of the dielectric permittivity and piezoelectric coefficients with temperature.

  1. (K, Na, Li)(Nb, Ta)O3:Mn lead-free single crystal with high piezoelectric properties

    PubMed Central

    Huo, Xiaoqing; Zhang, Rui; Zheng, Limei; Zhang, Shujun; Wang, Rui; Wang, Junjun; Sang, Shijing; Yang, Bin; Cao, Wenwu

    2016-01-01

    Lead-free single crystal, (K, Na, Li)(Nb, Ta)O3:Mn, was successfully grown using top-seeded solution growth method. Complete matrix of dielectric, piezoelectric and elastic constants for [001]C poled single crystal was determined. The piezoelectric coefficient d33 measured by the resonance method was 545 pC/N, which is almost three times that of its ceramic counterpart. The values measured by the Berlincourt meter ( d33∗=630pC/N) and strain-field curve ( d33∗∗=870pm/V) were even higher. The differences were assumed to relate with the different extrinsic contributions of domain wall vibration and domain wall translation during the measurements by different approaches, where the intrinsic contribution (on the order of 539 pm/V) was supposed to be the same. The crystal has ultrahigh electromechanical coupling factor (k33 ~ 95%) and high ultrasound velocity, which make it promising for high frequency medical transducer applications. PMID:27594704

  2. Anion Exchange Behavior Of Ti, Zr, Hf, Nb And Ta As Homologues Of Rf And Db In Mixed HF--Acetone Solutions

    SciTech Connect

    Aksenov, N. V.; Bozhikov, G. A.; Starodub, G. Ya.; Dmitriev, S. N.; Filosofov, D. V.; Sun Jin, Jon; Radchenko, V. I.; Lebedev, N. A.; Novgorodov, A. F.

    2010-04-30

    We studied in detail the sorption behavior of Ti, Zr, Hf, Nb and Ta on AG 1 anion exchange resin in HF-acetone mixed solutions as a function of organic cosolvent and acid concentrations. Anion exchange behavior was found to be strongly acetone concentration dependent. The distribution coefficients of Ti, Zr, Hf and Nb increased and those of Ta decreased with increasing content of acetone in HF solutions. With increasing HF concentration anion exchange equilibrium analysis indicated the formation of fluoride complexes of group 4 elements with charge-3 and Ta---2. For Nb the slope of-2 increased up to-5. Optimal conditions for separation of the elements using AIX chromatography were found. Group 4 elements formed MF{sub 7}{sup 3-} (M = Ti, Zr, Hf) complexes whose sorption decreased Ti>Hf>Zr in reverse order of complex stability. This fact is of particular interest for studying ion exchange behavior of Rf compared to Ti. The advantages of studying chemical properties of Rf and Db in aqueous HF solutions mixed with organic solvents are briefly discussed.

  3. DFT simulation on the temperature-dependent electronic transition of V (Nb or Ta) substituted NiMn2O4

    NASA Astrophysics Data System (ADS)

    Li, Hai-Long; Bian, Liang; Chang, Ai-Ming; Jian, Ji-Kang; Hou, Wen-Ping; Gao, Lei; Zhang, Xiao-Yan; Wang, Lei; Ren, Wei; Song, Mian-Xin; Dong, Fa-Qin

    2016-07-01

    Previously, we reported that the d-p (Mn-3d-O-2p) orbital hybridization induces Mn valence change (Mn3+→Mn4+) in the octahedron. The electron transfer mechanism can be controlled by modifying the Mn-3d orbital in the octahedron. Here, we used the density functional theory (DFT) with generalized gradient approximation (GGA) and two-dimensional correlation analysis (2D-CA) techniques to calculate the electron transfer mechanism of the V (Nb or Ta) substituted NiMn2O4 (NMO) in the temperature range of 50-1500 K. The results show that the heat accumulation accelerates the O-2p4 orbital splitting, inducing charge disproportionation. The V-3d3 substituted Mn increases the intensity and of the partial density of state (PDOS) at conduction band (1-3 eV), this enhances the V-3d3-O-2p4 p-d σ∗ orbital. The Nb-4d3/Ta-5d3 substituted Mn reduces the intensity of the PDOS at conduction band (1-5 eV), this weakens the Nb-4d3/Ta-5d3-O-2p4 p-d σ∗ orbital. This study effectively analyzes the microscopic changes of the electron transfer caused by the heat accumulation, provides a theoretical basis for the design of NMO-based negative temperature coefficient (NTC) thermistors.

  4. Isotropic plasticity of β-type Ti-29Nb-13Ta-4.6Zr alloy single crystals for the development of single crystalline β-Ti implants

    NASA Astrophysics Data System (ADS)

    Hagihara, Koji; Nakano, Takayoshi; Maki, Hideaki; Umakoshi, Yukichi; Niinomi, Mitsuo

    2016-07-01

    β-type Ti-29Nb-13Ta-4.6Zr alloy is a promising novel material for biomedical applications. We have proposed a ‘single crystalline β-Ti implant’ as new hard tissue replacements for suppressing the stress shielding by achieving a drastic reduction in the Young’s modulus. To develop this, the orientation dependence of the plastic deformation behavior of the Ti-29Nb-13Ta-4.6Zr single crystal was first clarified. Dislocation slip with a Burgers vector parallel to <111> was the predominant deformation mode in the wide loading orientation. The orientation dependence of the yield stress due to <111> dislocations was small, in contrast to other β-Ti alloys. In addition, {332} twin was found to be operative at the loading orientation around [001]. The asymmetric features of the {332} twin formation depending on the loading orientation could be roughly anticipated by their Schmid factors. However, the critical resolved shear stress for the {332} twins appeared to show orientation dependence. The simultaneous operation of <111> slip and {332} twin were found to be the origin of the good mechanical properties with excellent strength and ductility. It was clarified that the Ti-29Nb-13Ta-4.6Zr alloy single crystal shows the “plastically almost-isotropic and elastically highly-anisotropic” nature, that is desirable for the development of ‘single crystalline β-Ti implant’.

  5. Isotropic plasticity of β-type Ti-29Nb-13Ta-4.6Zr alloy single crystals for the development of single crystalline β-Ti implants

    PubMed Central

    Hagihara, Koji; Nakano, Takayoshi; Maki, Hideaki; Umakoshi, Yukichi; Niinomi, Mitsuo

    2016-01-01

    β-type Ti-29Nb-13Ta-4.6Zr alloy is a promising novel material for biomedical applications. We have proposed a ‘single crystalline β-Ti implant’ as new hard tissue replacements for suppressing the stress shielding by achieving a drastic reduction in the Young’s modulus. To develop this, the orientation dependence of the plastic deformation behavior of the Ti-29Nb-13Ta-4.6Zr single crystal was first clarified. Dislocation slip with a Burgers vector parallel to <111> was the predominant deformation mode in the wide loading orientation. The orientation dependence of the yield stress due to <111> dislocations was small, in contrast to other β-Ti alloys. In addition, {332} twin was found to be operative at the loading orientation around [001]. The asymmetric features of the {332} twin formation depending on the loading orientation could be roughly anticipated by their Schmid factors. However, the critical resolved shear stress for the {332} twins appeared to show orientation dependence. The simultaneous operation of <111> slip and {332} twin were found to be the origin of the good mechanical properties with excellent strength and ductility. It was clarified that the Ti-29Nb-13Ta-4.6Zr alloy single crystal shows the “plastically almost-isotropic and elastically highly-anisotropic” nature, that is desirable for the development of ‘single crystalline β-Ti implant’. PMID:27417073

  6. Fluid-mediated alteration of (Y,REE,U,Th)-(Nb,Ta,Ti) oxide minerals in granitic pegmatite from the Evje-Iveland district, southern Norway

    NASA Astrophysics Data System (ADS)

    Duran, Charley J.; Seydoux-Guillaume, Anne-Magali; Bingen, Bernard; Gouy, Sophie; de Parseval, Philippe; Ingrin, Jannick; Guillaume, Damien

    2016-10-01

    We document the textural relations and chemical composition of (Y,REE,U,Th)-(Nb,Ta,Ti) oxide minerals in a granitic pegmatite from the Evje-Iveland district, southern Norway, using a combination of scanning and transmission electron microscopy, electron probe micro-analysis and infrared absorption spectroscopy. The (Y,REE,U,Th)-(Nb,Ta,Ti) oxide mineral is euxenite, which is strongly radiation damaged and surrounded by radial fractures. Within euxenite grains, three domains of distinct composition comprising unaltered, intermediate and altered euxenite, have been identified. In most cases pyrochlore occurs as corroded grain boundaries around euxenite and within relict fractures. Intermediate and altered euxenite are depleted in U, Pb, Ti, Nb, and Y, but enriched in Si and Ca relative to unaltered euxenite. Pyrochlore is also enriched in Fe, Pb, Zr and LREE relative to all euxenite phases. Altered domains of euxenite have deficient analytical totals and contain O-H. These domains are metamict and contain nanopores and nanodomains enriched in U and Ca. We suggest that as radiation damage accumulated in euxenite, radial fractures developed around the euxenite grains, thus allowing fluid infiltration. In the presence of fluid, euxenite was replaced by secondary euxenite then pyrochlore, owing to dissolution-precipitation and diffusion reactions. During alteration, U and the strategic metals Nb, Ti, and REE were mobilized at both the nanoscale and the scale of the pegmatite.

  7. A first-principles study of the tetragonal and hexagonal R 2Al (R = Cr, Zr, Nb, Hf, Ta) phases

    NASA Astrophysics Data System (ADS)

    Shang, Xiu; Shen, Jiang; Tian, Fuyang

    2016-10-01

    The crystal structures, elastic moduli, electronic structure, and phonon dispersion of the tetragonal R 2Al (R = Cr, Zr, Nb, Hf, Ta) intermetallic compounds are investigated by using the first-principles method. The space group number is 139 for tetragonal Cr2Al, 136 for tetragonal Nb2Al and Ta2Al, and the space group numbers are 140 and 194 for tetragonal and hexagonal Zr2Al and Hf2Al, respectively. The results of elastic constants and phonon dispersion indicate that the present intermetallic compounds are thermodynamically stable. The stability of hexagonal Zr2Al and Hf2Al is analyzed via the electronic density of state, compared to the tetragonal Zr2Al and Hf2Al compounds. For the R2Al intermetallic compounds, the less ductility and strong anisotropy are predicted. The more negative formation enthalpy and thermodynamic stability of R2Al (R = Nb, Zr, Hf) shed light on the Nb2Al, Zr2Al, Hf2Al phases found experimentally in refractory high entropy alloys.

  8. Fluid-mediated alteration of (Y,REE,U,Th)-(Nb,Ta,Ti) oxide minerals in granitic pegmatite from the Evje-Iveland district, southern Norway

    NASA Astrophysics Data System (ADS)

    Duran, Charley J.; Seydoux-Guillaume, Anne-Magali; Bingen, Bernard; Gouy, Sophie; de Parseval, Philippe; Ingrin, Jannick; Guillaume, Damien

    2016-02-01

    We document the textural relations and chemical composition of (Y,REE,U,Th)-(Nb,Ta,Ti) oxide minerals in a granitic pegmatite from the Evje-Iveland district, southern Norway, using a combination of scanning and transmission electron microscopy, electron probe micro-analysis and infrared absorption spectroscopy. The (Y,REE,U,Th)-(Nb,Ta,Ti) oxide mineral is euxenite, which is strongly radiation damaged and surrounded by radial fractures. Within euxenite grains, three domains of distinct composition comprising unaltered, intermediate and altered euxenite, have been identified. In most cases pyrochlore occurs as corroded grain boundaries around euxenite and within relict fractures. Intermediate and altered euxenite are depleted in U, Pb, Ti, Nb, and Y, but enriched in Si and Ca relative to unaltered euxenite. Pyrochlore is also enriched in Fe, Pb, Zr and LREE relative to all euxenite phases. Altered domains of euxenite have deficient analytical totals and contain O-H. These domains are metamict and contain nanopores and nanodomains enriched in U and Ca. We suggest that as radiation damage accumulated in euxenite, radial fractures developed around the euxenite grains, thus allowing fluid infiltration. In the presence of fluid, euxenite was replaced by secondary euxenite then pyrochlore, owing to dissolution-precipitation and diffusion reactions. During alteration, U and the strategic metals Nb, Ti, and REE were mobilized at both the nanoscale and the scale of the pegmatite.

  9. NbF{sub 5} and TaF{sub 5}: Assignment of {sup 19}F NMR resonances and chemical bond analysis from GIPAW calculations

    SciTech Connect

    Biswal, Mamata; Body, Monique; Legein, Christophe; Sadoc, Aymeric; Boucher, Florent

    2013-11-15

    The {sup 19}F isotropic chemical shifts (δ{sub iso}) of two isomorphic compounds, NbF{sub 5} and TaF{sub 5}, which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D {sup 19}F MAS NMR spectra. In parallel, the corresponding {sup 19}F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M{sub 4}F{sub 20}] units of NbF{sub 5} and TaF{sub 5} being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} is obtained, ensured by the linearity between experimental {sup 19}F δ{sub iso} values and calculated {sup 19}F isotropic chemical shielding σ{sub iso} values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF{sub 5}. The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the {sup 19}F NMR lines of NbF{sub 5}, distorted multiplets, arising from {sup 1}J-coupling and residual dipolar coupling between the {sup 19}F and {sup 93}Nb nuclei, were simulated yielding to values of {sup 93}Nb–{sup 19}F {sup 1}J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} allow establishing relationships between the {sup 19}F δ{sub iso} values, the nature of the fluorine atoms

  10. Microstructure characteristics and mechanical properties of laser-TIG hybrid welded dissimilar joints of Ti-22Al-27Nb and TA15

    NASA Astrophysics Data System (ADS)

    Zhang, Kezhao; Lei, Zhenglong; Chen, Yanbin; Liu, Ming; Liu, Yang

    2015-10-01

    Laser-TIG-hybrid-welding (TIG - tungsten inert gas) process was successfully applied to investigate the microstructure and tensile properties of Ti-22Al-27Nb/TA15 dissimilar joints. The HAZ of the arc zone in Ti-22Al-27Nb was characterized by three different regions: single B2, B2+α2 and B2+α2+O, while the single B2 phase region was absent in the HAZ of the laser zone. As for the HAZ in TA15 alloy, the microstructure mainly contained acicular α‧ martensites near the fusion line and partially remained the lamellar structure near the base metal. The fusion zone consisted of B2 phase due to the relatively high content of β phase stabilizing elements and fast cooling rate during the welding process. The tensile strength of the welds was higher than that of TA15 alloy because of the fully B2 microstructure in the fusion zone, and the fracture preferentially occurred on the base metal of TA15 alloy during the tensile tests at room temperature and 650 °C.

  11. Nb Ta (Ti Sn) oxide mineral chemistry as tracer of rare-element granitic pegmatite fractionation in the Borborema Province, Northeastern Brazil

    NASA Astrophysics Data System (ADS)

    Beurlen, Hartmut; da Silva, Marcelo R. R.; Thomas, Rainer; Soares, Dwight R.; Olivier, Patrick

    2008-02-01

    The Borborema Pegmatitic Province (BPP), northeastern Brazil, is historically important for tantalum mining and also famous for top-quality specimens of exotic Nb Ta oxides and, more recently, for the production of gem quality, turquoise blue, ‘Paraíba Elbaite.’ With more than 750 registered mineralized rare-element granitic pegmatites, the BPP extends over an area of about 75 by 150 km in the eastern part of the Neoproterozoic Seridó Belt. The Late Cambrian pegmatites are mostly hosted by a sequence of Neoproterozoic cordierite sillimanite biotite schists of the Seridó Formation and quartzites and metaconglomerates of the Equador Formation. The trace-element ratios in feldspar and micas allow to classify most pegmatites as belonging to the beryl columbite phosphate subtype. Electron microprobe analyses (EMPA) of columbite, tapiolite, niobian tantalian rutile, ixiolite and wodginite group minerals from 28 pegmatites in the BPP are used to evaluate the effectiveness of Nb Ta oxide chemistry as a possible exploration tool, to trace the degree of pegmatite fractionation and to classify the pegmatites. The columbite group mineral composition allows to establish a compositional trend from manganoan ferrocolumbite to manganocolumbite and on to manganotantalite. This trend is typical of complex spodumene- and/or lepidolite-subtype pegmatites. It clearly contrasts with another trend, from ferrocolumbite through ferrotantalite to ferrowodginite and ferrotapiolite compositions, typical of pegmatites of the beryl columbite phosphate subtype. Large scatter and anomalous trends in zoned crystals partially overlap and conceal the two main evolution patterns. This indicates that a large representative data set of heavy mineral concentrate samples, collected systematically along cross-sections, would be necessary to predict the metallogenetic potential of individual pegmatites. Other mineral species, e.g. garnets and/or tourmaline, with a more regular distribution than Nb

  12. Synthesis, properties and phase transitions of pyrochlore- and fluorite-like Ln{sub 2}RMO{sub 7} (Ln = Sm, Ho; R = Lu, Sc; M = Nb, Ta)

    SciTech Connect

    Shlyakhtina, A.V.; Belov, D.A.; Pigalskiy, K.S.; Shchegolikhin, A.N.; Kolbanev, I.V.; Karyagina, O.K.

    2014-01-01

    Graphical abstract: Temperature dependences of bulk conductivity for Sm{sub 2}ScTaO{sub 7} pyrochlore prepared at (1) 1400 °C, 20 h; and (2) 1200 °C, 40 h. - Highlights: • The phase formation of Ln{sub 2}RMO{sub 7} (Ln = Sm, Ho; R = Lu, Sc; M = Nb, Ta) at 1200–1600 °C. • The bulk conductivity and magnetic susceptibility were measured. • The bulk conductivity of Sm{sub 2}ScTaO{sub 7} has oxygen ion type at T ≥ 750 °C. • The first-order structural phase transition was observed in Sm{sub 2}ScTaO{sub 7} at ∼650–700 °C. • This phase transformation is not typical for defect fluorites. - Abstract: We have studied the new compounds with fluorite-like (Ho{sub 2}RNbO{sub 7} (R = Lu, Sc)) and pyrochlore-like (Sm{sub 2}ScTaO{sub 7}) structure as potential oxide ion conductors. The phase formation process (from 1200 to 1600 °C) and physical properties (electrical, thermo mechanical, and magnetic) for these compounds were investigated. Among the niobate materials the highest bulk conductivity is offered by the fluorite-like Ho{sub 2}ScNbO{sub 7} synthesized at 1600 °C: 3.8 × 10{sup −5} S/cm at 750 °C, whereas in Sm system the highest bulk conductivity, 7.3 × 10{sup −6} S/cm at 750 °C, is offered by the pyrochlore Sm{sub 2}ScTaO{sub 7} synthesized at 1400 °C. In Sm{sub 2}ScTaO{sub 7} pyrochlore we have observed the first-order phase transformation at ∼650–700 °C is related to rearrangement process in the oxygen sublattice of the pyrochlore structure containing B-site cations in different valence state and actually is absent in the defect fluorites. The two holmium niobates show Curie–Weiss paramagnetic behavior, with the prevalence of antiferromagnetic coupling. The magnetic susceptibility of Sm{sub 2}ScTaO{sub 7} is a weak function of temperature, corresponding to Van Vleck paramagnetism.

  13. Dielectric properties of (1- x)SrFe1/2Nb1/2O3- xBaZn1/3Ta2/3O3 ceramics

    NASA Astrophysics Data System (ADS)

    Phatungthane, Thanatep; Rujijanagul, Gobwute

    2013-07-01

    In this work, (1- x)SrFe1/2Nb1/2O3- xBaZn1/3Ta2/3O3 ((1- x)SFN- xBZT) ceramics with 0.02 ≤ x ≤ 0.11 were synthesized via a solid state reaction method. A phase formation analysis using the x-ray diffraction technique (XRD) showed that the ceramic samples exhibited a pure phase perovskite for x ≤ 0.10 compositions, indicating that the solubility limit of BZT in SFN is very low. Adding BZT enhanced the dielectric constant and reduced the dielectric loss. Very high dielectric constants (>40,000) were observed for the x = 0.10 samples. The dielectric property investigation also revealed that all samples exhibited dielectric relaxor behavior.

  14. Dielectric, ferroelectrics properties and impedance spectroscopy analysis of the [(Na0.535K0.480)0.966Li0.058](Nb0.90Ta0.10)O3-based lead-free ceramics

    NASA Astrophysics Data System (ADS)

    Saidi, M.; Chaouchi, A.; D'Astorg, S.; Rguiti, M.; Courtois, C.

    2015-04-01

    Polycrystalline of [(Na0.535K0.480)0.966Li0.058](Nb0.90Ta0.10)O3 samples were prepared using the high-temperature solid-state reaction technique. X-ray diffraction (XRD) analysis indicates the formation of a single-phase with orthorhombic structure. AC impedance plots were used as tool to analyze the electrical behavior of the sample as a function of frequency at different temperatures. The AC impedance studies revealed the presence of grain effect, from 425°C onwards. Complex impedance analysis indicated non-Debye type dielectric relaxation. The Nyquist plot showed the negative temperature coefficient of resistance (NTCR) characteristic of NKLNT. The AC conductivity results were used to correlate with the barrier hopping (CBH) model to evaluate the binding energy (Wm), the minimum hopping distance (Rmin), the density of states at Fermi level (N(Ef)), and the activation energy of the compound.

  15. Effect of Zr, V, Nb, Mo, and Ta substitutions on magnetic properties and microstructure of melt-spun SmCo5 magnets.

    PubMed

    Fukuzaki, Tomokazu; Iwane, Hiroaki; Abe, Kazutomo; Doi, Toshihiro; Tamura, Ryuji; Oikawa, Tadaaki

    2014-05-01

    We have investigated effects of metal substitutions on the magnetic properties and microstructure of melt-spun Sm-Co-Cu-Fe-M (M = Zr, V, Nb, Mo, Ta) magnets. We prepared melt-spun ribbons with compositions of Sm(Co1-x Cu x )5Fe0.54-y M y (x = 0.1-0.5, y = 0-0.43, M = Zr, V, Nb, Mo, Ta). For compositions of Sm(Co1-x Cu x )5Fe0.54 (x = 0.1-0.5), coercivity increased with increasing of annealing temperature, and a high coercivity of 17.6 kOe was obtained at a Cu content of x = 0.3. The coercivity was found to increase with increasing melting point of the substitution element. A high coercivity of 24.5 kOe was obtained for a composition of Sm(Co0.7Cu0.3)5Fe0.34Ta0.2.

  16. Crystallisation of magmatic topaz and implications for Nb-Ta-W mineralisation in F-rich silicic melts - The Ary-Bulak ongonite massif

    NASA Astrophysics Data System (ADS)

    Agangi, Andrea; Kamenetsky, Vadim S.; Hofmann, Axel; Przybyłowicz, Wojciech; Vladykin, Nikolay V.

    2014-08-01

    Textural, mineralogical and geochemical data on F-rich rhyolite (ongonite) from the Ary-Bulak massif of eastern Transbaikalia help constrain the formation of magmatic topaz. In these rocks, topaz occurs as phenocrysts, thus providing compelling evidence for crystallisation at the orthomagmatic stage. Cathodoluminescence images of topaz and quartz reveal growth textures with multiple truncation events in single grains, indicative of a dynamic system that shifted from saturated to undersaturated conditions with respect to topaz and quartz. Electron microprobe and Raman analyses of topaz indicate near-pure F composition [Al2SiO4F2], with very limited OH replacement. Laser ablation ICP-MS traverses revealed the presence of a large number of trace elements present at sub-ppm to hundreds of ppm levels. The chemical zoning of topaz records trace element fluctuations in the coexisting melt. Concentrations of some trace elements (Li, Ga, Nb, Ta and W) are correlated with cathodoluminescence intensity, thus suggesting that some of these elements act as CL activators in topaz. The study of melt inclusions indicates that melts with different F contents were trapped at different stages during formation of quartz and topaz phenocrysts, respectively. Electron microprobe analyses of glass in subhedral quartz-hosted melt inclusions indicate F ≤ 1.2 wt.%, whereas irregular-shaped melt inclusions hosted in both topaz and quartz have F ≤ 9 wt.%. Cryolithionite [Na3Li3Al2F12] coexists with glass in irregular inclusions, implying high Li contents in the melt. The very high F contents would have increased the solubility of Nb, Ta and W in the melt, thus allowing progressive concentration of these elements during magma evolution. Crystallisation of Nb-Ta-W-oxides (W-ixiolite and tantalite-columbite) may have been triggered by separation of cryolithionite, which would have caused F and Li depletion and consequent drop in the solubility of these elements.

  17. Structure and Properties of Ti-19.7Nb-5.8Ta Shape Memory Alloy Subjected to Thermomechanical Processing Including Aging

    NASA Astrophysics Data System (ADS)

    Dubinskiy, S.; Brailovski, Vladimir; Prokoshkin, S.; Pushin, V.; Inaekyan, K.; Sheremetyev, V.; Petrzhik, M.; Filonov, M.

    2013-09-01

    In this work, the ternary Ti-19.7Nb-5.8Ta (at.%) alloy for biomedical applications was studied. The ingot was manufactured by vacuum arc melting with a consumable electrode and then subjected to hot forging. Specimens were cut from the ingot and processed by cold rolling with e = 0.37 of logarithmic thickness reduction and post-deformation annealing (PDA) between 400 and 750 °C (1 h). Selected samples were subjected to aging at 300 °C (10 min to 3 h). The influence of the thermomechanical processing on the alloy's structure, phase composition, and mechanical and functional properties was studied. It was shown that thermomechanical processing leads to the formation of a nanosubgrained structure (polygonized with subgrains below 100 nm) in the 500-600 °C PDA range, which transforms to a recrystallized structure of β-phase when PDA temperature increases. Simultaneously, the phase composition and the β → α″ transformation kinetics vary. It was found that after conventional cold rolling and PDA, Ti-Nb-Ta alloy manifests superelastic and shape memory behaviors. During aging at 300 °C (1 h), an important quantity of randomly scattered equiaxed ω-precipitates forms, which results in improved superelastic cyclic properties. On the other hand, aging at 300 °C (3 h) changes the ω-precipitates' particle morphology from equiaxed to elongated and leads to their coarsening, which negatively affects the superelastic and shape memory functional properties of Ti-Nb-Ta alloy.

  18. Improved Piezoelectricity in (K0.44Na0.52Li0.04) (Nb0.91Ta0.05Sb0.04)O3-xBi0.25Na0.25NbO3 Lead-Free Piezoelectric Ceramics

    NASA Astrophysics Data System (ADS)

    Zhao, Yan; Xu, Zhijun; Li, Huaiyong; Hao, Jigong; Du, Juan; Chu, Ruiqing; Wei, Dongdong; Li, Guorong

    2016-08-01

    (1 - x)[(K0.44Na0.52Li0.04)(Nb0.91Ta0.05Sb0.04)O3]-xBi0.25Na0.25NbO3 (KNLNTS-xBNN) lead-free piezoelectric ceramics have been prepared using a conventional solid-state reaction method and the effects of BNN on their phase structure, microstructure, and electrical properties systematically studied. X-ray diffraction analysis suggested that BNN substitution into KNLNTS induced coexistence of orthorhombic-tetragonal mixed phase and thus improved the ferroelectric and piezoelectric properties. The surface morphologies indicated that different amounts of BNN had two different effects on grain growth. Good electrical properties (d 33 = 256 pC N-1, T c = 354.27°C, k p = 43.43%, P r = 26.85 μC cm-2, E c = 24.47 kV cm-1) were simultaneously obtained at x = 0.0025, suggesting that our research could benefit development of (K,Na)NbO3-based ceramics and widen their application range.

  19. Deformation Mechanisms and Biocompatibility of the Superelastic Ti-23Nb-0.7Ta-2Zr-0.5N Alloy

    NASA Astrophysics Data System (ADS)

    Castany, P.; Gordin, D. M.; Drob, S. I.; Vasilescu, C.; Mitran, V.; Cimpean, A.; Gloriant, T.

    2016-03-01

    In this study, we have synthesized a new Ti-23Nb-0.7Ta-2Zr-0.5N alloy composition with the aim to obtain useful mechanical properties to be used in medicine such as high strength, good superelastic property, low modulus, and large ductility. Thus, mechanical properties including superelasticity and plasticity were investigated in relation with the different deformation mechanisms observed (stress-induced martensitic transformation, twinning and dislocation slip). On the other hand, the corrosion resistance in simulated body fluid (Ringer solution) and the in vitro cell behavior (MG63 human osteoblasts) of such biomedical alloy were also evaluated in order to assess its biocompatibility.

  20. Complete set of material constants of single domain (K, Na)(Nb, Ta)O3 single crystal and their orientation dependence

    PubMed Central

    Zheng, Limei; Li, Shiyang; Sang, Shijing; Wang, Junjun; Huo, Xiaoqing; Wang, Rui; Yuan, Zhongyuan; Cao, Wenwu

    2014-01-01

    A self-consistent complete set of dielectric, piezoelectric, and elastic constants for single domain Ta modified (K, Na)NbO3 (KNN) crystal was determined. This full set constant for single domain KNN-based crystals allowed the prediction of orientation dependence of the longitudinal dielectric, piezoelectric, elastic coefficients, and electromechanical coupling factors. The maximum piezoelectric and electromechanical properties were found to exist near [001]C. In addition, material constants of [001]C poled domain engineered single crystal with 4 mm symmetry were experimentally measured and compared with the calculated values. Based on this, extrinsic contribution to the piezoelectricity was estimated to be ∼20%. PMID:25489119

  1. Complete set of material constants of single domain (K, Na)(Nb, Ta)O3 single crystal and their orientation dependence.

    PubMed

    Zheng, Limei; Li, Shiyang; Sang, Shijing; Wang, Junjun; Huo, Xiaoqing; Wang, Rui; Yuan, Zhongyuan; Cao, Wenwu

    2014-11-24

    A self-consistent complete set of dielectric, piezoelectric, and elastic constants for single domain Ta modified (K, Na)NbO3 (KNN) crystal was determined. This full set constant for single domain KNN-based crystals allowed the prediction of orientation dependence of the longitudinal dielectric, piezoelectric, elastic coefficients, and electromechanical coupling factors. The maximum piezoelectric and electromechanical properties were found to exist near [001] C . In addition, material constants of [001] C poled domain engineered single crystal with 4 mm symmetry were experimentally measured and compared with the calculated values. Based on this, extrinsic contribution to the piezoelectricity was estimated to be ∼20%.

  2. Complete set of material constants of single domain (K, Na)(Nb, Ta)O3 single crystal and their orientation dependence.

    PubMed

    Zheng, Limei; Li, Shiyang; Sang, Shijing; Wang, Junjun; Huo, Xiaoqing; Wang, Rui; Yuan, Zhongyuan; Cao, Wenwu

    2014-11-24

    A self-consistent complete set of dielectric, piezoelectric, and elastic constants for single domain Ta modified (K, Na)NbO3 (KNN) crystal was determined. This full set constant for single domain KNN-based crystals allowed the prediction of orientation dependence of the longitudinal dielectric, piezoelectric, elastic coefficients, and electromechanical coupling factors. The maximum piezoelectric and electromechanical properties were found to exist near [001] C . In addition, material constants of [001] C poled domain engineered single crystal with 4 mm symmetry were experimentally measured and compared with the calculated values. Based on this, extrinsic contribution to the piezoelectricity was estimated to be ∼20%. PMID:25489119

  3. Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework.

    PubMed

    Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas

    2016-06-21

    Two new ternary borides TM7Fe3B8 (TM = Nb, Ta) were synthesized by high-temperature thermal treatment of samples obtained by arc-melting. This new type of structure with space group P6/mmm, comprises TM slabs containing isolated planar hexagonal [B6] rings and iron centered TM columns in a Kagome type of arrangement. Chemical bonding analysis in Nb7Fe3B8 by means of the electron localizability approach reveals two-center interactions forming the Kagome net of Fe and embedded B, while weaker multicenter bonding present between this net and Nb atoms. Magnetic susceptibility measurements reveal antiferromagnetic order below TN = 240 K for Nb7Fe3B8 and TN = 265 K for Ta7Fe3B8. Small remnant magnetization below 0.01μB per f.u. is observed in the antiferromagnetic state. The bulk nature of the magnetic transistions was confirmed by the hyperfine splitting of the Mössbauer spectra, the sizable anomalies in the specific heat capacity, and the kinks in the resistivity curves. The high-field paramagnetic susceptibilities fitted by the Curie-Weiss law show effective paramagnetic moments μeff≈ 3.1μB/Fe in both compounds. The temperature dependence of the electrical resistivity also reveals metallic character of both compounds. Density functional calculations corroborate the metallic behaviour of both compounds and demonstrate the formation of a sizable local magnetic moment on the Fe-sites. They indicate the presence of both antiferro- and ferrromagnetic interactions.

  4. Factors affecting metal-metal bonding in the face-shared d(3)d(3) bioctahedral dimer systems, MM'Cl(9)(5-) (M, M' = V, Nb, Ta).

    PubMed

    Petrie, Simon; Stranger, Robert

    2002-12-01

    Density functional theory (DFT) calculations have been used to investigate the d(3)d(3) bioctahedral complexes, MM'Cl(9)(5-), of the vanadium triad. Broken-symmetry calculations upon these species indicate that the V-containing complexes have optimized metal-metal separations of 3.4-3.5 A, corresponding to essentially localized magnetic electrons. The metal-metal separations in these weakly coupled dimers are elongated as a consequence of Coulombic repulsion, which profoundly influences (and destabilizes) the gas-phase structures for such dimers; nevertheless, the intermetallic interactions in the V-containing dimers involve significantly greater metal-metal bonding character than in the analogous Cr-containing dimers. These observations all show good agreement with existing experimental (solid state) results for the chloride-bridged, face-shared dimers V(2)Cl(9)(5-) and V(2)Cl(3)(thf)(6)(+). In contrast to the V-containing dimers, complexes featuring only Nb and Ta have much shorter intermetallic distances (approximately 2.4 A) consistent with d-electron delocalization and formal metal-metal triple bond formation; again, good agreement is found with available experimental data. Calculations on the complexes V(2)(mu-Cl)(3)(dme)(6)(+), Nb(2)(mu-dms)(3)Cl(6)(2-), and Ta(2)(mu-dms)(3)Cl(6)(2-), which are closely related to compounds for which crystallographic structural data exist, have been pursued and provide an insight into the intermetallic interactions in the experimentally characterized complexes. Analysis of the contributions from d-orbital overlap (E(ovlp)) stabilization, as well as spin polarization (exchange) stabilization of localized d electrons (E(spe)), has also been attempted for the MM'Cl(9)(5-) dimers. While E(ovlp) clearly dominates over E(spe) as a stabilizing factor in those dimers containing only Nb and Ta metal atoms, detailed assessment of the competition between E(ovlp) and E(spe) for V-containing dimers is obstructed by the instability of

  5. Core–shell grain structures and ferroelectric properties of Na0.5K0.5NbO3–LiTaO3–BiScO3 piezoelectric ceramics

    PubMed Central

    Zhu, Fangyuan; Ward, Michael B.; Li, Jing-Feng; Milne, Steven J.

    2015-01-01

    Legislation arising from health and environmental concerns has intensified research into finding suitable alternatives to lead-based piezoceramics. Recently, solid solutions based on sodium potassium niobate (K,Na)NbO3 (KNN) have become one of the globally-important lead-free counterparts, due to their favourable dielectric and piezoelectric properties. This data article provides information on the ferroelectric properties and core–shell grain structures for the system, (1−y)[(1−x)Na0.5K0.5NbO3 – xLiTaO3] – yBiScO3 (x=0–0.1, y=0.02, abbreviated as KNN–xLT–2BS). We show elemental analysis with aid of TEM spot-EDX to identify three-type grain-types in the KNN–LT–BS ternary system. Melting behaviour has been assessed using a tube furnace with build-in camera. Details for the ferroelectric properties and core–shell chemical segregation are illustrated. PMID:26217758

  6. Core-shell grain structures and ferroelectric properties of Na0.5K0.5NbO3-LiTaO3-BiScO3 piezoelectric ceramics.

    PubMed

    Zhu, Fangyuan; Ward, Michael B; Li, Jing-Feng; Milne, Steven J

    2015-09-01

    Legislation arising from health and environmental concerns has intensified research into finding suitable alternatives to lead-based piezoceramics. Recently, solid solutions based on sodium potassium niobate (K,Na)NbO3 (KNN) have become one of the globally-important lead-free counterparts, due to their favourable dielectric and piezoelectric properties. This data article provides information on the ferroelectric properties and core-shell grain structures for the system, (1-y)[(1-x)Na0.5K0.5NbO3 - xLiTaO3] - yBiScO3 (x=0-0.1, y=0.02, abbreviated as KNN-xLT-2BS). We show elemental analysis with aid of TEM spot-EDX to identify three-type grain-types in the KNN-LT-BS ternary system. Melting behaviour has been assessed using a tube furnace with build-in camera. Details for the ferroelectric properties and core-shell chemical segregation are illustrated. PMID:26217758

  7. Conduction processes in metal–insulator–metal diodes with Ta{sub 2}O{sub 5} and Nb{sub 2}O{sub 5} insulators deposited by atomic layer deposition

    SciTech Connect

    Alimardani, Nasir; McGlone, John M.; Wager, John F.; Conley, John F.

    2014-01-15

    Metal–insulator–metal diodes with Nb{sub 2}O{sub 5} and Ta{sub 2}O{sub 5} insulators deposited via atomic layer deposition are investigated. For both Nb{sub 2}O{sub 5} and Ta{sub 2}O{sub 5}, the dominant conduction process is established as Schottky emission at small biases and Frenkel–Poole emission at large biases. Fowler–Nordheim tunneling is not found to play a role in determining current versus voltage asymmetry. The dynamic dielectric constants are extracted from conduction plots and found to be in agreement with measured optical dielectric constants. Trap energy levels at ϕ{sub T} ≈ 0.62 and 0.53 eV below the conduction band minimum are estimated for Nb{sub 2}O{sub 5} and Ta{sub 2}O{sub 5}, respectively.

  8. Photocatalytic activity of R3MO7 and R2Ti2O7 (R=Y, Gd, La; M=Nb, Ta) for water splitting into H2 and O2.

    PubMed

    Abe, Ryu; Higashi, Masanobu; Sayama, Kazuhiro; Abe, Yoshimoto; Sugihara, Hideki

    2006-02-01

    The photocatalytic activities of R3MO7 and R2Ti2O7 (R=Y, Gd, La; M=Nb, Ta) strongly depended on the crystal structure. Overall, photocatalytic water splitting into H2 and O2 proceeded over La3TaO7 and La3NbO7, which have an orthorhombic weberite structure, Y2Ti2O7 and Gd2Ti2O7, which have a cubic pyrochlore structure, and La2Ti2O7, which has a monoclinic perovskite structure. All of these materials are composed of a network of corner-shared octahedral units of metal cations (TaO6, NbO6, or TiO6); materials without such a network were inactive. The octahedral network certainly increased the mobility of electrons and holes, thereby enhancing photocatalytic activity.

  9. Characterizing xBa(Mg1/3Ta2/3)O3+(1-x )Ba(Mg1/3Nb2/3)O3 microwave ceramics using extended x-ray absorption fine structure method

    NASA Astrophysics Data System (ADS)

    Chang, P.-J.; Chia, C.-T.; Lin, I.-N.; Lee, J.-F.; Lin, C. M.; Wu, K. T.

    2006-06-01

    The structures of TaO6 and NbO6 oxygen octahedra in xBa(Mg1/3Ta2/3)O3+(1-x )Ba(Mg1/3Nb2/3)O3 perovskite ceramics with x =0, 0.25, 0.50, 0.75, and 1.0 were investigated by the extended x-ray absorption fine structure method. The decline in the microwave dielectric constant as x increases is caused mainly by the decrease of the mean volume of the oxygen octahedra, regardless of the 1:2 ordered structure and the distortion of the oxygen octahedron. The low Qf values of the TaO6 and NbO6 mixed samples are caused by not only the degrading of the 1:2 ordered structure but also the distortion of oxygen octahedral cages.

  10. Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.

    PubMed

    Harb, Moussab; Masih, Dilshad; Takanabe, Kazuhiro

    2014-09-14

    We present a joint theoretical and experimental investigation of the optoelectronic properties of CuVO3, CuNbO3 and Cu5Ta11O30 materials for potential photocatalytic and solar cell applications. In addition to the experimental results obtained by powder X-ray diffraction and UV-Vis spectroscopy of the materials synthesized under flowing N2 gas at atmospheric pressure via solid-state reactions, the electronic structure and the UV-Vis optical absorption coefficient of these compounds are predicted with high accuracy using advanced first-principles quantum methods based on DFT (including the perturbation theory approach DFPT) within the screened coulomb hybrid HSE06 exchange-correlation formalism. The calculated density of states are found to be in agreement with the UV-Vis diffuse reflectance spectra, predicting a small indirect band gap of 1.4 eV for CuVO3, a direct band gap of 2.6 eV for CuNbO3, and an indirect (direct) band gap of 2.1 (2.6) eV for Cu5Ta11O30. It is confirmed that the Cu(I)-based multi-metal oxides possess a strong contribution of filled Cu(I) states in the valence band and of empty d(0) metal states in the conduction band. Interestingly, CuVO3 with its predicted small indirect band gap of 1.4 eV shows the highest absorption coefficient in the visible range with a broad absorption edge extending to 886 nm. This novel result offers a great opportunity for this material to be an excellent candidate for solar cell applications.

  11. Microstructural evaluation of boron free and boron containing heat-treated Ti-35Nb-7.2Zr-5.7Ta alloy.

    PubMed

    Majumdar, Pallab

    2012-04-01

    The microstructure of Ti-35Nb-7.2Zr-5.7Ta (TNZT) and Ti-35Nb-7.2Zr-5.7Ta-0.5B (TNZTB) alloys under different heat treatment conditions has been analyzed. The solution-treated and water-quenched TNZT sample consists mainly of β phase with a very small amount of fine athermal ω precipitate. Precipitation of α can be observed when solution-treated samples are directly aged at 580°C for 8 h. The microstructure of the samples subjected to single-stage aging at 300°C or 400°C consists of ω precipitates in equiaxed β grains. Second stage aging at 580°C for 8 h after first stage of aging at 300°C or 400°C results in the replacement of ω precipitates by secondary α. In all of these samples, the amount of ω or α phase was very small, and therefore they could not be detected by X-ray diffraction studies. However, analysis of selected area diffraction patterns obtained from transmission electron microscopy studies confirms their presence. The addition of boron leads to the formation of dispersed precipitates of TiB in the β matrix of the TNZT alloy and also refines the β grains in the microstructure. However, other microstructural features of the TNZTB alloy are similar to those of the TNZT alloy.

  12. Electrochemical characterization of pulsed layer deposited hydroxyapatite-zirconia layers on Ti-21Nb-15Ta-6Zr alloy for biomedical application

    NASA Astrophysics Data System (ADS)

    Izquierdo, Javier; Bolat, Georgiana; Cimpoesu, Nicanor; Trinca, Lucia Carmen; Mareci, Daniel; Souto, Ricardo Manuel

    2016-11-01

    A new titanium base Ti-21Nb-15Ta-6Zr alloy covered with hydroxyapatite-zirconia (HA-ZrO2) by pulsed laser deposition (PLD) technique was characterized regarding its corrosion resistance in simulated physiological Ringer's solution at 37 °C. For the sake of comparison, Ti-6Al-4V standard implant alloy, with and without hydroxyapatite-zirconia coating, was also characterized. Multiscale electrochemical analysis using both conventional averaging electrochemical techniques, namely electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization, and spatially-resolved microelectrochemical techniques (scanning electrochemical microscopy, SECM) were used to investigate the electrochemical behaviour of the materials. In addition, scanning electron microscopy evidenced that no relevant surface morphology changes occurred on the materials upon immersion in the simulated physiological solution, despite variations in their electrochemical behaviour. Although uncoated metals appear to show better performances during conventional corrosion tests, the response is still quite similar for the HA-ZrO2 coated materials while providing superior resistance towards electron transfer due to the formation of a more dense film on the surface, thus effectively behaving as a passive material. It is believed corrosion of the HA-ZrO2 coated Ti-21Nb-15Ta-6Zr alloy will have negligible effect upon biochemical and cellular events at the bone-implant interface and could facilitate osseointegration.

  13. Biological Behaviour and Enhanced Anticorrosive Performance of the Nitrided Superelastic Ti-23Nb-0.7Ta-2Zr-0.5N Alloy

    PubMed Central

    Mitran, Valentina; Vasilescu, Cora; Drob, Silviu Iulian; Osiceanu, Petre; Calderon-Moreno, Jose Maria; Tabirca, Mariana-Cristina; Gordin, Doina-Margareta; Gloriant, Thierry; Cimpean, Anisoara

    2015-01-01

    The influence of gas nitriding surface treatment on the superelastic Ti-23Nb-0.7Ta-2Zr-0.5N alloy was evaluated. A thorough characterization of bare and nitrided Ti-based alloy and pure Ti was performed in terms of surface film composition and morphology, electrochemical behaviour, and short term osteoblast response. XPS analysis showed that the nitriding treatment strongly influenced the composition (nitrides and oxynitrides) and surface properties both of the substrate and of the bulk alloy. SEM images revealed that the nitrided surface appears as a similar dotted pattern caused by the formation of N-rich domains coexisting with less nitrided domains, while before treatment only topographical features could be observed. All the electrochemical results confirmed the high chemical stability of the nitride and oxynitride coating and the superiority of the applied treatment. The values of the corrosion parameters ascertained the excellent corrosion resistance of the coated alloy in the real functional conditions from the human body. Cell culture experiments with MG63 osteoblasts demonstrated that the studied biomaterials do not elicit any toxic effects and support cell adhesion and enhanced cell proliferation. Altogether, these data indicate that the nitrided Ti-23Nb-0.7Ta-2Zr-0.5N alloy is the most suitable substrate for application in bone implantology. PMID:26583096

  14. A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)(36.3)O94 with advanced transmission electron microscopy and neutron diffraction.

    PubMed

    Paria Sena, Robert; Babaryk, Artem A; Khainakov, Sergiy; Garcia-Granda, Santiago; Slobodyanik, Nikolay S; Van Tendeloo, Gustaaf; Abakumov, Artem M; Hadermann, Joke

    2016-01-21

    The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) Å, b = 12.493(3) Å, c = 3.95333(15) Å. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations. PMID:26646168

  15. A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)(36.3)O94 with advanced transmission electron microscopy and neutron diffraction.

    PubMed

    Paria Sena, Robert; Babaryk, Artem A; Khainakov, Sergiy; Garcia-Granda, Santiago; Slobodyanik, Nikolay S; Van Tendeloo, Gustaaf; Abakumov, Artem M; Hadermann, Joke

    2016-01-21

    The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) Å, b = 12.493(3) Å, c = 3.95333(15) Å. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations.

  16. Investigation of magnetic phase transitions in B-site disordered PbBxB'1-xO3 (B = Fe, Co and B' = Nb, Ta)

    NASA Astrophysics Data System (ADS)

    Chillal, Shravani; Popova, Elena; Eulf, Erik; Gvasaliya, Severian; Shaplygina, Tatiana; Lushnikov, Sergey; Zheludev, Andrey

    2012-02-01

    Materials such as PbFe0.5Nb0.5O3 (PFN-0.5)/ PbFe0.5Ta0.5O3 (PFT-0.5) and PbCo0.33Nb0.67O3 (PCN-0.33) are relaxor ferroelectrics. PbFe0.5Nb0.5O3 (PFN-0.5) also shows anti-ferromagnetic order below ˜ 143 K. Though multiferroicity is an important property of PFN-0.5, its uniqueness stems from coexisting anti-ferromagnetic and spinglass phases below ˜ 12 K. Presently, it is the only known such case in a Heisenberg 3D spin system. We report a first systematic study of the H-T phase diagram of PFN-0.5 and discuss the results in the context of existing theories. In addition, we study the magnetic properties of PFT-0.5 and PCN-0.33. While PFN-0.5 and PFT-0.5 demonstrate similar behavior, PCN-0.33 does not show any anomalies that could signify magnetic ordering. We propose that the observed dramatic differences may result from partial B-site ordering.

  17. Microstructure and Mechanical Properties of Laser-Welded Joints of Ti-22Al-25Nb/TA15 Dissimilar Titanium Alloys

    NASA Astrophysics Data System (ADS)

    Li, Dalong; Hu, Shengsun; Shen, Junqi; Zhang, Hao; Bu, Xianzheng

    2016-05-01

    Laser beam welding (LBW) was applied to join 1-mm-thick dissimilar titanium alloys, Ti-22Al-25Nb (at.%) and TA15, and the microstructure and mechanical properties of the welded joints were systematically analyzed. Defect-free joints were obtained, and the fusion zone mainly consisted of B2 and martensitic α' phases because of the uneven distribution of the β phase stabilizer and rapid cooling rate of LBW. The phase compositions of the heat-affected zone varied with the different thermal cycles during the welding process. The different microstructures of the dissimilar titanium alloys led to an unsymmetrical hardness profile, with the welded seam exhibiting the lowest value of 271 HV. In room-temperature tensile tests, the fractures all occurred preferentially in the fusion zone. The strengths of the joints were close to those of the base metal but with prominently decreasing ductility. In tensile tests performed at 550 °C, all the joints fractured in the TA15 base metal, and the strength and plasticity of the welds were equivalent to those of the TA15 base metal.

  18. Y,REE,Nb,Ta,Ti-oxide (AB 2O 6) minerals from REL-REE euxenite-subtype pegmatites of the Třebíč Pluton, Czech Republic; substitutions and fractionation trends

    NASA Astrophysics Data System (ADS)

    Škoda, Radek; Novák, Milan

    2007-04-01

    Aeschynite-group minerals (AGM) and euxenite-group minerals (EGM) occur in REL-REE euxenite-subtype pegmatites from the Třebíč Pluton, Czech Republic. They form strongly metamictized, light brown to black, equigranular to needle-like, subhedral to anhedral grains enclosed in blocky K-feldspar and less commonly in albite, and blocky quartz, and in the graphic unit (quartz and K-feldspar). Both AGM and EGM are homogeneous to slightly heterogeneous in BSE images. They are not commonly associated with the other primary Y,REE,Ti,Nb-bearing minerals, i.e. allanite-(Ce), monazite-(Ce), titanite, and ilmenite, which occur within the same textural-paragenetic unit. Aeschynite-(Y), aeschynite-(Ce), aeschynite-(Nd), nioboaeschynite-(Ce), tantalaeschynite-(Ce), vigezzite and polycrase-(Y) were identified using EMP and canonical discrimination analysis [Ercit, T.S., 2005a. Identification and alteration trends of granitic-pegmatite-hosted (Y,REE,U,Th)-(Nb,Ta,Ti) oxide minerals: a statistical approach. Can. Mineral. 43, 4 1291-1303.]. The exchange vector ACa B(Nb,Ta) A(Y,REE) - 1 BTi - 1 or its combination with the exchange vector ACa 2B(Nb,Ta) 3A(U,Th) - 1 A(Y,REE) - 1 BTi - 3 have been elucidated for the AGM. The exchange vector ACa A(U,Th) A(Y,REE) - 2 is predominant in the EGM. The AGM are enriched in HREE, whereas LREE are concentrated in the EGM. Weak to none-existent geochemical fractionations, as expressed by the U/(U + Th), Y/(Y + REE), Ta/(Ta + Nb) and (Nb + Ta)/(Ti + Nb + Ta) ratios, were noted for single grains from both the AGM and EGM, as well as in grains of polycrase-(Y) from four different textural-paragenetic units located in the Vladislav pegmatite. Simultaneous increase of U/(U + Th) and Y/(Y + REE) in the AGM during fractionation is typical. The Ta/(Ta + Nb) fractionation is usually weak and contradicts the Y/(Y + REE) and U/(U + Th) fractionation trends. This unusual behavior of Nb and Ta may be controlled by associated Ti-rich minerals (titanite

  19. The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.

    PubMed

    Hojamberdiev, Mirabbos; Bekheet, Maged F; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya

    2016-08-01

    The effect of the Ta/Nb ratio in the (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 (0 ≤ x ≤ 4) crystals grown by a KCl flux method on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives BaNb1-xTaxO2N (0 ≤ x ≤ 1) was investigated. The Rietveld refinement of X-ray data revealed that all Ba5Nb4-xTaxO15 samples were well crystallized in the space group P3[combining macron]m1 (no. 164). Phase-pure BaNb1-xTaxO2N (0 ≤ x ≤ 1) porous structures were obtained by nitridation of the flux-grown oxide crystals at 950 °C for 20, 25, 30, 35, and 40 h, respectively. The absorption edge of BaNb1-xTaxO2N (0 ≤ x ≤ 1) was slightly shifted from 720 to 690 nm with the increasing Ta/Nb ratio. The O2 evolution rate gradually progressed and reached the highest value (127.24 μmol in the first 2 h) with the Ta content up to 50 mol% but decreased at 75 and 100 mol% presumably due to the reduced specific surface area and high density of structural defects, such as grain boundaries acting as recombination centers, originated from high-temperature nitridation for prolonged periods. Transient absorption spectroscopy provided evidence for the effect of the Ta/Nb ratio on the behavior and energy states of photogenerated charge carriers, indicating a direct correlation with photocatalytic water oxidation activity of BaNb1-xTaxO2N. PMID:27437784

  20. Crystal Structure, Electronic Structure, and Photocatalytic Activity of Oxysulfides: La2Ta2ZrS2O8, La2Ta2TiS2O8, and La2Nb2TiS2O8.

    PubMed

    Goto, Yosuke; Seo, Jeongsuk; Kumamoto, Kazunori; Hisatomi, Takashi; Mizuguchi, Yoshikazu; Kamihara, Yoichi; Katayama, Masao; Minegishi, Tsutomu; Domen, Kazunari

    2016-04-01

    The novel oxysulfides La2Ta2ZrS2O8 (LTZSO), La2Ta2TiS2O8 (LTTSO), and La2Nb2TiS2O8 (LNTSO) were synthesized, and their crystal structures, electronic structures, and photocatalytic activities for water splitting under visible light were investigated. Density functional theory calculations showed that these compounds are direct-band-gap semiconductors. Close to the conduction band minimum, the main contribution to the band structure comes from the d orbitals of Zr or Ti ions, while the region near the valence band maximum is associated with the 3p orbitals of S ions. The absorption-edge wavelength was determined to be 540 nm for LTZSO and 700 nm for LTTSO and LNTSO. An analysis of the crystal structure using synchrotron X-ray diffraction revealed that these compounds contained antisite defects at transition metal ion sites, and these were considered to be the origin of the broad absorption at wavelengths longer than that corresponding to band-gap excitation. LTZSO was revealed to be active in the oxygen evolution reaction from aqueous solution containing a sacrificial electron acceptor under visible-light illumination. This result was supported by the band alignment and flat-band potential determined by photoelectron spectroscopy and Mott-Schottky plots.

  1. Diffusion of oxygen in amorphous Al{sub 2}O{sub 3}, Ta{sub 2}O{sub 5}, and Nb{sub 2}O{sub 5}

    SciTech Connect

    Nakamura, R. Tsukui, S.; Toda, T.; Tane, M.; Suzuki, T.; Ishimaru, M.; Nakajima, H.

    2014-07-21

    The self-diffusivity of oxygen in amorphous Al{sub 2}O{sub 3} (a-Al{sub 2}O{sub 3}), a-Ta{sub 2}O{sub 5}, and a-Nb{sub 2}O{sub 5} was investigated along with structural analysis in terms of pair distribution function (PDF). The low activation energy, ∼1.2 eV, for diffusion in the oxides suggests a single atomic jump of oxygen ions mediated via vacancy-like defects. However, the pre-exponential factor for a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5} with lower bond energy was two orders of magnitude larger than that for a-Al{sub 2}O{sub 3} with higher bond energy. PDF analyses revealed that the short-range configuration in a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5} was more broadly distributed than that in a-Al{sub 2}O{sub 3}. Due to the larger variety of atomic configurations of a-Ta{sub 2}O{sub 5} and a-Nb{sub 2}O{sub 5}, these oxides have a higher activation entropy for diffusion than a-Al{sub 2}O{sub 3}. The entropy term for diffusion associated with short-range structures was shown to be a dominant factor for diffusion in amorphous oxides.

  2. Role of the (Ta/Nb)O{sub x}/Al{sub 2}O{sub 3} interface on the flatband voltage shift for Al{sub 2}O{sub 3}/(Ta/Nb)O{sub x}/Al{sub 2}O{sub 3} multilayer charge trap capacitors

    SciTech Connect

    Nabatame, Toshihide; Ohi, Akihiko; Ito, Kazuhiro; Takahashi, Makoto; Chikyo, Toyohiro

    2015-01-15

    The authors studied the characteristics of Si/Al{sub 2}O{sub 3}/(Ta/Nb)O{sub x}/Al{sub 2}O{sub 3}/SiO{sub 2}/Pt charge trap capacitors fabricated by atomic layer deposition and postmetallization annealing at 400 °C. Al{sub 2}O{sub 3} and (Ta/Nb)O{sub x} films are amorphous and have negligible fixed charges. In program mode, a flatband voltage (V{sub fb}) drastically shifts toward the positive direction at a short program time of 10{sup −4} s. A large V{sub fb} shift of approximately 4 V arises after programming at 1 mC/cm{sup 2} because there is a large difference in the conduction band offset between the (Ta/Nb)O{sub x}-charge trapping layer (TNO-CTL) and the Al{sub 2}O{sub 3}-blocking layer (AlO-BL) (1.8 eV). In the retention mode, most of the trapped electrons in the TNO-CTL transfers across the Al{sub 2}O{sub 3}-tunneling layer (AlO-TL) rather than the AlO-BL. The thickness of the AlO-TL affects the V{sub fb} shift degradation behavior in the retention mode. The injected electrons are dominantly located at the TNO-CTL/ALO-BL interface, determined from the thickness dependence of the TNO-CTL on the V{sub fb} shift.

  3. Large pinning forces and matching effects in YBa2Cu3O(7-δ) thin films with Ba2Y(Nb/Ta)O6 nano-precipitates.

    PubMed

    Opherden, Lars; Sieger, Max; Pahlke, Patrick; Hühne, Ruben; Schultz, Ludwig; Meledin, Alexander; Van Tendeloo, Gustaaf; Nast, Rainer; Holzapfel, Bernhard; Bianchetti, Marco; MacManus-Driscoll, Judith L; Hänisch, Jens

    2016-02-18

    The addition of mixed double perovskite Ba2Y(Nb/Ta)O6 (BYNTO) to YBa2Cu3O(7-δ) (YBCO) thin films leads to a large improvement of the in-field current carrying capability. For low deposition rates, BYNTO grows as well-oriented, densely distributed nanocolumns. We achieved a pinning force density of 25 GN/m(3) at 77 K at a matching field of 2.3 T, which is among the highest values reported for YBCO. The anisotropy of the critical current density shows a complex behavior whereby additional maxima are developed at field dependent angles. This is caused by a matching effect of the magnetic fields c-axis component. The exponent N of the current-voltage characteristics (inversely proportional to the creep rate S) allows the depinning mechanism to be determined. It changes from a double-kink excitation below the matching field to pinning-potential-determined creep above it.

  4. Electronic structure of the LiAA‧O6 (A = Nb, Ta, and A‧ = W, Mo) ceramics by modified Becke-Johnson potential

    NASA Astrophysics Data System (ADS)

    Ali, Zahid; Khan, Imad; Rahman, Mazhar; Ahmad, Rashid; Ahmad, Iftikhar

    2016-08-01

    DFT is used to study various transition metal based ceramics LiAA‧O6 (A = Nb, Ta, and A‧ = W, Mo) in tetragonal phase with space group 421 m (No. 113). The calculated structural and geometrical parameters are found in closed agreement with the experiments. Electronic clouds explain the chemical bonding and reveal that Li atom occupy central position and form ionic bond. Other bonds in these compounds are significantly covalent due to the sharing of electrons between O and A/A‧. The electronic properties demonstrate that these compounds are wide bandgap semiconductors in the energy range of 2.18-2.60 eV. These bandgap energies confirm the suitability of these oxides in optoelectronic devices operating in the visible range of the electromagnetic spectrum.

  5. X-ray Diffraction Study and Texture Evolution for a Ti-Nb-Ta Biomedical Alloy Processed by Accumulative Roll Bonding

    NASA Astrophysics Data System (ADS)

    Nocivin, Anna; Raducanu, Doina; Cinca, Ion; Trisca-Rusu, Corneliu; Butu, Mihai; Thibon, Isabelle; Cojocaru, Vasile Danut

    2015-04-01

    A Ti-25Nb-25Ta β-type alloy was subjected to severe plastic deformation via accumulative roll bonding; the method was applied on two different precursor samples, in order to establish the influence of the precursor structural state on the final alloy properties processed by ARB. and electronic parameters have been calculated in order to establish, by plotting the alloy on - diagram, the alloy β stabilizing grade, and the dominant deformation mechanisms. Structural modifications during ARB process (changes in phase structure, phase quantities, lattice parameters, and coherent crystalline domain size) were described and analyzed using XRD investigations. Texture data expressed by pole figures, inverse pole figures, and orientation distribution functions for the (110), (200), and (211) β-Ti peaks were obtained through XRD investigations. The results showed that it is possible to obtain high intensity share texture modes ({001}<110>) and well-developed α- and γ-fibers, the most important fiber being the α-fiber.

  6. Electronic, mechanical, phase transition, and thermo-physical properties of TMC (TM = V, Nb, and Ta): high pressure ab initio study

    NASA Astrophysics Data System (ADS)

    Chauhan, Mamta; Gupta, Dinesh C.

    2015-12-01

    The structural, electronic, mechanical, phase transition, and thermo-physical properties of refractory carbides, viz. VC, NbC, and TaC have been computed in stable B1 and high pressure B2 phases by means of two different ab initio calculations using pseudo- and full-potential schemes. These materials have mixed covalent-, metallic-, and ionic-type bonding. The calculations of elastic constants show the mechanical stability of these materials in B1 phase only. The brittle nature and anisotropy is observed in these materials in B1 phase. Non-central forces are present in both the phases. Elastic wave velocities and Debye temperature have also been calculated. The present results on structural, phase transition, elastic, and other properties are in reasonably good agreement with the available experimental and theoretical data. The calculations in high pressure phase need experimental verification.

  7. The behaviour of the extended HFSE group (Nb, Ta, Zr, Hf, W, Mo) during the petrogenesis of mafic K-rich lavas: The Eastern Mediterranean case

    NASA Astrophysics Data System (ADS)

    Kirchenbaur, M.; Münker, C.

    2015-09-01

    In arc lavas, elements of the extended high field strength element group (HFSE; Nb, Ta, Zr, Hf, W, and Mo) are valuable tracers to unravel magma source processes. These elements can also help to identify residual mineral assemblages in subducting slabs and in the mantle. Most high-precision studies on HFSE behaviour to date only focused on intra-oceanic arc suites and data for mafic lavas of the K-rich series (medium-K, high-K and shoshonitic) are scarce. Arguably, K-rich series are the most incompatible element-rich end-members of subduction zone magmatism, and they often record sediment recycling into the mantle. Understanding HFSE fractionation in K-rich lavas can therefore provide important insight into the global HFSE budget. Here we present a comprehensive extended HFSE dataset obtained by isotope dilution on well-characterised K-rich lavas from the Eastern Mediterranean, also including subducting sediment samples drilled during DSDP Leg 13 and ODP Leg 160 South and West of Crete. The volcanic samples include mafic calc-alkaline lavas from the active Aegean Island arc (Santorini) and post-collisional Tertiary lavas from SE Bulgaria. The Santorini lavas record a hydrous sediment melt-mediated source overprint of a depleted mantle source by components from the subducting African plate. The Bulgarian lavas tap lithospheric mantle sources that were overprinted by fluid- and melt-like subduction components during Eocene subduction of the African Plate. The sediments in this study comprise silts/sands, marl oozes, limestones and clay-rich debris flows and approximate the bulk sediment subducted beneath the Hellenic arc. The marked enrichment of all HFSE in the lavas is controlled by the composition of the subducted sediments as shown by low 176Lu/177Hf (0.008630-0.02433) and Zr/Nb (11.3-29.4), combined with variable εHf (-3 to +11) and elevated W contents (up to 2.45 ppm) in the lavas. Nevertheless, the lavas display unfractionated ratios of Nb/Ta and Zr/Hf of 12

  8. Temperature dependence of dielectric and electromechanical properties of (K,Na)(Nb,Ta)O3 single crystal and corresponding domain structure evolution

    PubMed Central

    Zheng, Limei; Wang, Junjun; Huo, Xiaoqing; Wang, Rui; Sang, Shijing; Li, Shiyang; Zheng, Peng; Cao, Wenwu

    2014-01-01

    Domain structures and their evolution with temperature in the [001]C oriented (K,Na)(Nb,Ta)O3 (KNNT) single crystal have been studied before and after poling by polarizing light microscopy. The results indicate that the KNNT crystal is difficult to be completely poled by the room temperature poling process. The domain structure is rather stable in the orthorhombic phase, but exhibits substantial changes near the phase transition temperatures TO-T and TC. Narrower stripe domains are formed during both the orthorhombic-tetragonal and tetragonal-cubic phase transition processes, no intermediate phases were found during the phase transitions. The temperature dependence of the dielectric and piezoelectric properties were measured, and the influence of domain structures on the dielectric and electromechanical properties were quantified. PMID:25161321

  9. Chemical Twinning of Salt and Metal in the Subnitridometalates Ba23 Na11 (MN4 )4 with M=V, Nb, Ta.

    PubMed

    Wörsching, Matthias; Tambornino, Frank; Datz, Stefan; Hoch, Constantin

    2016-08-26

    The subnitridometalates Ba23 Na11 (MN4 )4 (M=V, Nb, Ta) crystallize in a new structure type, which shows ionic ortho-nitridometalate anions and motifs from simple (inter)metallic packings: Na-centered [Na8 ] cubes as cutouts of the bcc structure of elemental Na and Na-centered [Ba10 Na2 ] icosahedra as found in Laves phases, for example. Single-crystal and powder X-ray diffraction studies in combination with quantum-chemical calculations of the electronic structure and Raman spectroscopy support the characterization of the subnitridometalates as "chemical twins". They consist of independent building units with locally prevalent ionic or metallic bonding in an overall metallic compound. PMID:27485917

  10. Temperature dependence of dielectric and electromechanical properties of (K,Na)(Nb,Ta)O3 single crystal and corresponding domain structure evolution.

    PubMed

    Zheng, Limei; Wang, Junjun; Huo, Xiaoqing; Wang, Rui; Sang, Shijing; Li, Shiyang; Zheng, Peng; Cao, Wenwu

    2014-07-28

    Domain structures and their evolution with temperature in the [001] C oriented (K,Na)(Nb,Ta)O3 (KNNT) single crystal have been studied before and after poling by polarizing light microscopy. The results indicate that the KNNT crystal is difficult to be completely poled by the room temperature poling process. The domain structure is rather stable in the orthorhombic phase, but exhibits substantial changes near the phase transition temperatures T O-T and T C. Narrower stripe domains are formed during both the orthorhombic-tetragonal and tetragonal-cubic phase transition processes, no intermediate phases were found during the phase transitions. The temperature dependence of the dielectric and piezoelectric properties were measured, and the influence of domain structures on the dielectric and electromechanical properties were quantified. PMID:25161321

  11. Modelling potential photovoltaic absorbers Cu3 MCh 4 (M  =  V, Nb, Ta; Ch  =  S, Se, Te) using density functional theory

    NASA Astrophysics Data System (ADS)

    Kehoe, Aoife B.; Scanlon, David O.; Watson, Graeme W.

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured \\text{C}{{\\text{u}}3}MC{{h}4} (M  =  V, Nb, Ta; Ch  =  S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials’ suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.

  12. Investigation of the nanodomain structure formation by piezoelectric force microscopy and Raman confocal microscopy in LiNbO{sub 3} and LiTaO{sub 3} crystals

    SciTech Connect

    Shur, V. Ya.; Zelenovskiy, P. S.; Nebogatikov, M. S.; Alikin, D. O.; Sarmanova, M. F.; Ievlev, A. V.; Mingaliev, E. A.; Kuznetsov, D. K.

    2011-09-01

    Piezoelectric force microscopy (PFM) and Raman confocal microscopy have been used for studying the nanodomain structures in congruent LiNbO{sub 3} and LiTaO{sub 3} crystals. The high-resolution nanodomain images at the surface were observed via PFM. Raman confocal microscopy has been used for the visualization of the nanodomain structures in the bulk via layer-by-layer scanning at various depths. It has been shown experimentally that the nanodomain images obtained at different depths correspond to domain images at the polar surface obtained at different moments: the deeper the nanodomain, the earlier the moment. Such a correlation was applied for the reconstruction of the evolution of the domain structures with charged domain walls. The studied domain structures were obtained in highly non-equilibrium switching conditions realized in LiNbO{sub 3} and LiTaO{sub 3} via pulse laser irradiation and the electric field poling of LiNbO{sub 3}, with the surface layer modified by ion implantation. The revealed main stages of the domain structure evolution allow the authors to demonstrate that all geometrically different nanodomain structures observed in LiNbO{sub 3} and LiTaO{sub 3} appeared as a result of discrete switching.

  13. Transport and thermoelectric properties of Sr{sub 3}(Ti{sub 0.95}R{sub 0.05}){sub 2}O{sub 7} (R = Ta, Nb, W) oxides

    SciTech Connect

    Sun, R. R.; Qin, X. Y.; Li, L. L.; Li, D.; Wang, N. N.; Zhang, J.; Wang, Q. Q.

    2012-12-15

    The Sr{sub 3}(Ti{sub 0.95}R{sub 0.05}){sub 2}O{sub 7} (R = Ta, Nb, W) polycrystalline compounds were fabricated, and their transport and thermoelectric properties were investigated. The results indicate that at T > 300 K electrical resistivity {rho} for all the doped compounds increases monotonically with temperature, and basically can be described by a relation {rho}{proportional_to}T{sup M} at T > {approx}650 K, with M = 1.39, 1.66, and 1.77 for R = Ta, Nb, and W, respectively, implying that at the high temperatures the acoustic phonon scattering dominates the scattering process. Although the resistivity {rho} of Sr{sub 3}(Ti{sub 0.95}Ta{sub 0.05}){sub 2}O{sub 7} exhibits a metallic-like behavior at the temperature as low as 5 K, a transition from metallic state (d{rho}/dT > 0) to semiconductor-like state (d{rho}/dT < 0) was observed at a critical low temperature {approx}41 K and {approx}79 K for R = Nb and W, respectively. At T < {approx}22 K, {approx}57 K, and {approx}80 K, a relation of {sigma}{proportional_to}T{sup 1/2} (here conductivity {sigma} = 1/{rho}) holds for the doped compounds with R = Nb, Ta, and W, respectively, suggesting that at the low temperatures the main transport mechanism is electron-electron interaction due to the presence of disorder induced by the dopants. The thermoelectric figure of merit (ZT) for Ta-doped compound increases more steeply with increasing temperature among the three compounds and reaches 0.066 at 1000 K.

  14. Piezoelectric properties and diffusion phase transition around PPT of La-doped (Na0.52K0.44Li0.04) Nb0.8Ta0.2O3 lead-free piezoelectric ceramics

    NASA Astrophysics Data System (ADS)

    Yang, Wenlong; Wang, Li; Li, Haidong; Han, Junsheng; Xiu, Hanjiang; Zhou, Zhongxiang

    2016-10-01

    Lead-free ceramics (Na0.52K0.44Li0.04)1-3xLaxNb0.8Ta0.2O3 (KNLNT-Lax, x=0.00, 0.25, 0.5, 0.75, 1.00, 1.25 mol%) as non-polluting materials were prepared by solid state reaction method. The structure, piezoelectric proprieties and temperature stability of KNLNT ceramic with different La doping concentrations were investigated. The results show a transition from orthorhombic-tetragonal mix phase to tetragonal single phase with the variation of La3+ concentrations. The SEM micrographs of surface and fractured surface show a dense microstructure with few micropores. The La-doped KNLTN ceramic will be an alternative candidate contributes to excellent piezoelectric properties, which are found in the 0.75 mol% La-doped KNLNT ceramics, with d33=215pC/N, kp=42.8%and Qm=89. It has been remarkably improved that the temperature stability of KNLTN-Lax piezoelectric properties at room temperature, and the dielectric relaxation can be observed obviously. The mechanism of La doping was analyzed in terms of valence compensation and polymorphic phase transition (PPT) diffusion. The orthorhombic-tetragonal phase transition around room temperature and the relaxation transition were considered contributing to the excellent piezoelectric performance and improved temperature stability of La3+-doped KNLTN.

  15. The in vitro and in vivo performance of a strontium-containing coating on the low-modulus Ti35Nb2Ta3Zr alloy formed by micro-arc oxidation.

    PubMed

    Liu, Wei; Cheng, Mengqi; Wahafu, Tuerhongjiang; Zhao, Yaochao; Qin, Hui; Wang, Jiaxing; Zhang, Xianlong; Wang, Liqiang

    2015-07-01

    The β-titanium alloy is thought to be a promising alloy using as orthopedic or dental implants owing to its characteristics, which contains low elastic modulus, high corrosion resistance and well biocompatibility. Our previous study has reported that a new β-titanium alloy Ti35Nb2Ta3Zr showed low modulus close to human bone, equal tissue compatibility to a traditional implant alloy Ti6Al4V. In this study, micro-arc oxidation (MAO) was applied on the Ti35Nb2Ta3Zr alloy to enhance its surface characteristics and biocompatibility and osseointegration ability. Two different coatings were formed, TiO2 doped with calcium-phosphate coating (Ca-P) and calcium-phosphate-strontium coating (Ca-P-Sr). Then we evaluated the effects of the MAO coatings on the Ti35Nb2Ta3Zr alloy through in vitro and in vivo tests. As to the characteristics of the coatings, the morphology, chemical composition, surface roughness and contact angle of MAO coatings were tested by scanning electron microscopy, energy dispersive spectroscopy, atomic force microscopy, and video contact-angle measurement system respectively. Besides, we performed MTT assay, ALP test and cell morphology-adhesion test on materials to evaluate the MAOed coating materials' biocompatibility in vitro. The in vivo experiment was performed through rabbit model. Alloys were implanted into rabbits' femur shafts, then we performed micro-CT, histological and sequential fluorescent labeling analysis to evaluate implants' osseointegration ability in vivo. Finally, the Ca-P specimens and Ca-P-Sr specimens exhibited a significant enhancement in surface roughness, hydrophilicity, cell proliferation, cell adhesion. More new bone was found around the Ca-P-Sr coated alloy than Ca-P coated alloy and Ti35Nb2Ta3Zr alloy. In conclusion, the MAO treatment improved in vitro and in vivo performance of Ti35Nb2Ta3Zr alloy. The Ca-P-Sr coating may be a promising modified surface formed by MAO for the novel β-titanium alloy Ti35Nb2Ta3Zr.

  16. The in vitro and in vivo performance of a strontium-containing coating on the low-modulus Ti35Nb2Ta3Zr alloy formed by micro-arc oxidation.

    PubMed

    Liu, Wei; Cheng, Mengqi; Wahafu, Tuerhongjiang; Zhao, Yaochao; Qin, Hui; Wang, Jiaxing; Zhang, Xianlong; Wang, Liqiang

    2015-07-01

    The β-titanium alloy is thought to be a promising alloy using as orthopedic or dental implants owing to its characteristics, which contains low elastic modulus, high corrosion resistance and well biocompatibility. Our previous study has reported that a new β-titanium alloy Ti35Nb2Ta3Zr showed low modulus close to human bone, equal tissue compatibility to a traditional implant alloy Ti6Al4V. In this study, micro-arc oxidation (MAO) was applied on the Ti35Nb2Ta3Zr alloy to enhance its surface characteristics and biocompatibility and osseointegration ability. Two different coatings were formed, TiO2 doped with calcium-phosphate coating (Ca-P) and calcium-phosphate-strontium coating (Ca-P-Sr). Then we evaluated the effects of the MAO coatings on the Ti35Nb2Ta3Zr alloy through in vitro and in vivo tests. As to the characteristics of the coatings, the morphology, chemical composition, surface roughness and contact angle of MAO coatings were tested by scanning electron microscopy, energy dispersive spectroscopy, atomic force microscopy, and video contact-angle measurement system respectively. Besides, we performed MTT assay, ALP test and cell morphology-adhesion test on materials to evaluate the MAOed coating materials' biocompatibility in vitro. The in vivo experiment was performed through rabbit model. Alloys were implanted into rabbits' femur shafts, then we performed micro-CT, histological and sequential fluorescent labeling analysis to evaluate implants' osseointegration ability in vivo. Finally, the Ca-P specimens and Ca-P-Sr specimens exhibited a significant enhancement in surface roughness, hydrophilicity, cell proliferation, cell adhesion. More new bone was found around the Ca-P-Sr coated alloy than Ca-P coated alloy and Ti35Nb2Ta3Zr alloy. In conclusion, the MAO treatment improved in vitro and in vivo performance of Ti35Nb2Ta3Zr alloy. The Ca-P-Sr coating may be a promising modified surface formed by MAO for the novel β-titanium alloy Ti35Nb2Ta3Zr. PMID

  17. The effect of boron addition on microstructure and mechanical properties of biomedical Ti35Nb6Ta alloy

    SciTech Connect

    Málek, Jaroslav; Hnilica, František; Veselý, Jaroslav; Smola, Bohumil; Březina, Vítězslav

    2014-10-15

    The beta-titanium alloys are promising materials for bioapplications but their processing via melting is difficult. Coarse grains have been observed in as-cast specimens. Subsequent thermo-mechanical processing seems to be necessary in order to obtain fine-grained microstructure with better mechanical properties. The grain size can be decreased significantly by addition of small boron amount. In this work Ti–35Nb–6Ta alloy with various B additions (0, 0.05, 0.1, 0.3 and 0.5 wt.%) has been studied. Even the smallest amount of B leads to significant grain refinement in Ti–35Nb–6Ta alloy (from 1300 to about 350 μm). Slight grain refinement has been observed also after hot forging and solution treatment. TiB particles emerged in specimens due to B addition. These particles contribute to changes in mechanical properties not only in hot forged and solution treated specimens (hardness increase from 140 to 180 HV10), but also in cold swaged specimens (hardness from 230 to 250 HV10, tensile strength from 800 to 920 MPa). The hardness values can be increased up to 370 HV10 during aging at 400 °C (specimen with 0.5 wt.% B). It has been observed that specimens with low boron addition 0.05 wt.% possess no cytotoxicity. On the other hand in specimens with 0.1 wt.% B or more slight adverse effect on cytotoxicity has been observed. - Highlights: • The influence of boron on microstructure and mechanical properties has been studied. • Beta-transus temperature has been determined. • Cytotoxicity depending on boron content has been evaluated. • Possibility of final heat treatment has been determined.

  18. Investigation on transition behavior and electrical properties of (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} around polymorphic phase transition region

    SciTech Connect

    Zhu, Chen; Wang, Wenchao; Shi, Honglin; Wang, Fangyu; Cao, Yongge; Huang, Jiquan; Wang, Chong; Tang, Fei; Yuan, Xuanyi; Liu, Yang

    2014-01-15

    (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} (KNLNTS) lead free ceramics with different Li concentration were fabricated by conventional solid-state reaction method. By increasing Li ions in KNLNTS, the grains grow up and the crystal structure changes from orthorhombic to tetragonal. When 0.03 ≤ x ≤ 0.05, the ceramics structure lays in PPT region. Polarization versus electric field (P-E) hysteresis loops at room temperature show good ferroelectric properties and the remnant polarization decreases by increasing Li content while coercive electric keeps almost unchanged. In PPT region, taking x = 0.04 as an example, the sample shows excellent dielectric properties: the dielectric constant is 1159 and loss tangent is 0.04, while the piezoelectric constant d{sub 33} is 245 pC/N and kp is 0.44 at room temperature, it is promising for (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} with 4 at. % Li to substitute PZT.

  19. Microstructures and wear properties of surface treated Ti-36Nb-2Ta-3Zr-0.35O alloy by electron beam melting (EBM)

    NASA Astrophysics Data System (ADS)

    Chen, Zijin; Liu, Yong; Wu, Hong; Zhang, Weidong; Guo, Wei; Tang, Huiping; Liu, Nan

    2015-12-01

    Ti-36Nb-2Ta-3Zr-0.35O (wt.%) (TNTZO, also called gum metal) alloy was surface treated by electron beam melting (EBM), in order to improve wear properties. The microstructures and phase constitutions of the treated surface were characterized by optical microscopy (OM), scanning electron microscopy (SEM), grazing incidence X-ray diffraction (GIXD) and electron backscattered diffraction (EBSD). The results showed that the martensitic phase and dendrites were formed from the β phase alloy after the EBM treatment, and microstructures in the surface changed with the processing parameters. Compared with the untreated TNTZO alloy, the surface modified TNTZO alloys exhibited higher nano-hardness, 8.0 GPa, and the wear loss was also decreased apparently. The samples treated at a scanning speed of 0.5 m/s exhibited the highest wear resistance due to the fast cooling rate and the precipitation of acicular α″ phase. The relationship between the wear property and the surface microstructure of TNTZO alloy was discussed.

  20. Effect of Extrusion Temperature on the Microstructural Development of Powder Metallurgy Ti-47A1-2Cr-1Nb-1Ta Alloy

    SciTech Connect

    Hsiung, L.; Nieh, T.G.

    2000-06-29

    Effect of extrusion temperatures on the microstructural development of a powder metallurgy (PM) Ti-47Al-2Cr-1Nb-1Ta (at. %) alloy has been investigated. Microstructure of the PM alloy extruded at 1150 C consists of a fine-grained ({gamma} + {alpha}{sub 2}) two-phase structure in association with coarse grains of metastable B2 (ordered bcc) phase. In addition, fine {omega} (ordered hexagonal) particles are also found within some B2 grains. The PM alloy containing the metastable B2 grains displays a low-temperature superplastic behavior, in which a tensile elongation of 310% is obtained at 800 C under a strain rate of 2 x 10{sup -5} s{sup -1}. It is suggested that the decomposition of metastable B2 phase and microstructural evolution during the deformation play a crucial role in the low-temperature superplasticity of the PM TiAl alloy. A refined fully-lamellar (FL) microstructure with alternating {gamma} and {alpha}{sub 2} lamellae is developed within the PM alloy extruded at 1400 C. The creep resistance of the refined FL-TiAl alloy is found to be superior to those of the TiAl alloys fabricated by conventional processing techniques. Creep mechanisms for the PM alloy with a refined FL microstructure are critically discussed according to TEM examination of deformation substructure.

  1. Enhancement of adhesive strength of hydroxyapatite films on Ti-29Nb-13Ta-4.6Zr by surface morphology control.

    PubMed

    Hieda, Junko; Niinomi, Mitsuo; Nakai, Masaaki; Cho, Ken; Gozawa, Tatsuya; Katsui, Hirokazu; Tu, Rong; Goto, Takashi

    2013-02-01

    Hydroxyapatite (HAp) films were deposited on a β-type titanium alloy, Ti-29Nb-13Ta-4.6Zr (TNTZ), by metal organic chemical vapor deposition (MOCVD) in order to improve its hard-tissue compatibility. The surface morphologies of TNTZ substrates were changed by acid treatments and mechanical polishing prior to the HAp film deposition. The adhesive strength of the HAp films formed on TNTZ substrates treated with an HF solution increased to twice that of the HAp film deposited on a TNTZ substrate with a mirror-like finish. Complex microstructures with deeply etched grain boundaries, formed on the TNTZ substrates after immersion in the HF solution, were responsible for the increase in the adhesive strength of the HAp film caused by an interlocking effect. The HAp films on TNTZ substrates treated with a H(2)SO(4) solution exhibited lower adhesive strength than HAp films on TNTZ substrates treated with HF solution, regardless of the surface roughness of the substrates. Additionally, acid treatments using HNO(3) and H(2)O(2) solutions did not change the surface morphologies of the TNTZ substrates. The complex microstructures with deeply etched grain boundaries and nanosized asperities formed on the TNTZ substrates are important factors in the improvement of the adhesive strengths of HAp films deposited on TNTZ substrates. PMID:23274485

  2. Large pinning forces and matching effects in YBa2Cu3O(7-δ) thin films with Ba2Y(Nb/Ta)O6 nano-precipitates.

    PubMed

    Opherden, Lars; Sieger, Max; Pahlke, Patrick; Hühne, Ruben; Schultz, Ludwig; Meledin, Alexander; Van Tendeloo, Gustaaf; Nast, Rainer; Holzapfel, Bernhard; Bianchetti, Marco; MacManus-Driscoll, Judith L; Hänisch, Jens

    2016-01-01

    The addition of mixed double perovskite Ba2Y(Nb/Ta)O6 (BYNTO) to YBa2Cu3O(7-δ) (YBCO) thin films leads to a large improvement of the in-field current carrying capability. For low deposition rates, BYNTO grows as well-oriented, densely distributed nanocolumns. We achieved a pinning force density of 25 GN/m(3) at 77 K at a matching field of 2.3 T, which is among the highest values reported for YBCO. The anisotropy of the critical current density shows a complex behavior whereby additional maxima are developed at field dependent angles. This is caused by a matching effect of the magnetic fields c-axis component. The exponent N of the current-voltage characteristics (inversely proportional to the creep rate S) allows the depinning mechanism to be determined. It changes from a double-kink excitation below the matching field to pinning-potential-determined creep above it. PMID:26887291

  3. Surface Modification and In Vitro Characterization of Cp-Ti and Ti-5Al-2Nb-1Ta Alloy in Simulated Body Fluid

    NASA Astrophysics Data System (ADS)

    Sasikumar, Y.; Rajendran, N.

    2012-10-01

    Ti and its alloys are widely used in manufacturing orthopedic implants as prostheses for joint replacement because of their high corrosion resistance and excellent biocompatibility. However, they lack in bone-bonding ability and leads to higher rate of osteolysis and subsequent loosening of implants. In order to enhance the bone-bonding ability of these alloys, various surface-modification techniques are generally employed. The present investigation is mainly concerned with the surface modification of Cp-Ti and Ti-5Al-2Nb-1Ta alloy using a mixture of alkali and hydrogen peroxide followed by subsequent heat treatment to produce a porous gel layer with anatase structure, which enhances osseointegration. The morphological behavior was examined by x-ray diffractometer (XRD), atomic force microscopy (AFM), and scanning electron microscopy (SEM) coupled with energy dispersive x-ray analysis (EDX). The in vitro characterization of all the specimens was evaluated by immersing the specimens in simulated body fluid solution to assess the apatite formation over the metal surface. The apatite formation was confirmed by XRD, SEM-EDX, and Fourier transform infrared spectroscopy (FT-IR). Further, the electrochemical corrosion behaviors of both the untreated and treated specimens were evaluated using potentiodynamic polarization and electrochemical impedance spectroscopy. The results revealed that the surface-modified and heat-treated specimens exhibited higher corrosion resistance and excellent biocompatibility when compared to the chemical and untreated specimens.

  4. Quaternary Ti-20Nb-10Zr-5Ta alloy during immersion in simulated physiological solutions: formation of layers, dissolution and biocompatibility.

    PubMed

    Milošev, Ingrid; Hmeljak, Julija; Žerjav, Gregor; Cör, Andrej; Calderon Moreno, Jose Maria; Popa, Monica

    2014-04-01

    Samples of the quaternary Ti-20Nb-10Zr-5Ta alloy were immersed in Hanks' simulated physiological solution and in minimum essential medium (MEM) for 25 days. Samples of Ti metal served as controls. During immersion, the concentration of ions dissolved in MEM was measured by inductively coupled plasma mass spectrometry, while at the end of the experiment the composition of the surface layers was analyzed by X-ray photoelectron spectroscopy, and their morphology by scanning electron microscopy equipped for chemical analysis. The surface layer formed during immersion was comprised primarily of TiO2 but contained oxides of alloying elements as well. The degree of oxidation differed for different metal cations; while titanium achieved the highest valency, tantalum remained as the metal or is oxidized to its sub-oxides. Calcium phosphate was formed in both solutions, while formation of organic-related species was observed only in MEM. Dissolution of titanium ions was similar for metal and alloy. Among alloying elements, zirconium dissolved in the largest quantity. The long-term effects of alloy implanted in the recipient's body were investigated in MEM, using two types of human cells-an osteoblast-like cell line and immortalized pulmonary fibroblasts. The in vitro biocompatibility of the quaternary alloy was similar to that of titanium, since no detrimental effects on cell survival, induction of apoptosis, delay of growth, or change in alkaline phosphatase activity were observed on incubation in MEM. PMID:24452270

  5. Quaternary Ti-20Nb-10Zr-5Ta alloy during immersion in simulated physiological solutions: formation of layers, dissolution and biocompatibility.

    PubMed

    Milošev, Ingrid; Hmeljak, Julija; Žerjav, Gregor; Cör, Andrej; Calderon Moreno, Jose Maria; Popa, Monica

    2014-04-01

    Samples of the quaternary Ti-20Nb-10Zr-5Ta alloy were immersed in Hanks' simulated physiological solution and in minimum essential medium (MEM) for 25 days. Samples of Ti metal served as controls. During immersion, the concentration of ions dissolved in MEM was measured by inductively coupled plasma mass spectrometry, while at the end of the experiment the composition of the surface layers was analyzed by X-ray photoelectron spectroscopy, and their morphology by scanning electron microscopy equipped for chemical analysis. The surface layer formed during immersion was comprised primarily of TiO2 but contained oxides of alloying elements as well. The degree of oxidation differed for different metal cations; while titanium achieved the highest valency, tantalum remained as the metal or is oxidized to its sub-oxides. Calcium phosphate was formed in both solutions, while formation of organic-related species was observed only in MEM. Dissolution of titanium ions was similar for metal and alloy. Among alloying elements, zirconium dissolved in the largest quantity. The long-term effects of alloy implanted in the recipient's body were investigated in MEM, using two types of human cells-an osteoblast-like cell line and immortalized pulmonary fibroblasts. The in vitro biocompatibility of the quaternary alloy was similar to that of titanium, since no detrimental effects on cell survival, induction of apoptosis, delay of growth, or change in alkaline phosphatase activity were observed on incubation in MEM.

  6. Domain evolution with electric field and delineation of extrinsic contributions in (K, Na, Li)(Nb, Ta, Sb)O3 single crystal

    PubMed Central

    Wang, Junjun; Zheng, Limei; Yang, Bin; Luo, Zhenlin; Lu, Xiaoyan; Liu, Gang; Zhang, Rui; Lv, Tianquan; Cao, Wenwu

    2015-01-01

    Extrinsic contributions play an important role in the functionalities of ferroelectric materials, while domain structure evolution is crucial for understanding the extrinsic dielectric and piezoelectric responses. In this work, domain configuration changes with an electric field applied along [001]C in the tetragonal (K, Na, Li)(Nb, Sb, Ta)O3 single crystal were studied by means of polarizing light microscopy. Results show that parts of the spontaneous polarizations in the (001)C plane are switched to [001]C direction, while others still stay in the (001)C plane due to high induced internal stresses. Single domain state cannot be achieved even under a high electric field. After being poled along [001]C, the volume fraction of domains with polarzations in the (001)C plane is still about 25.2%. The extrinsic contributions to the dielectric constant are 15.7% and 27.2% under the E field of 1 kV/cm and under 2 kV/cm, respectively, estimated by the Rayleigh analysis. PMID:26339071

  7. Development of thermo-mechanical processing for fabricating highly durable β-type Ti-Nb-Ta-Zr rod for use in spinal fixation devices.

    PubMed

    Narita, Kengo; Niinomi, Mitsuo; Nakai, Masaaki; Hieda, Junko; Oribe, Kazuya

    2012-05-01

    The mechanical strength of a beta titanium alloy such as Ti-Nb-Ta-Zr alloy (TNTZ) can be improved significantly by thermo-mechanical treatment. In this study, TNTZ was subjected to solution treatment, cold caliber rolling, and cold swaging before aging treatment to form a rod for spinal fixation. The {110}(β) are aligned parallel to the cross-section with two strong peaks approximately 180° apart, facing one another, in the TNTZ rods subjected to cold caliber rolling and six strong peaks at approximately 60° intervals, facing one another, in the TNTZ rods subjected to cold swaging. Therefore, the TNTZ rods subjected to cold swaging have a more uniform structure than those subjected to cold caliber rolling. The orientation relationship between the α and β phases is different. A [110](β)//[121](α), (112)(β)//(210)(α) orientation relationship is observed in the TNTZ rods subjected to aging treatment at 723 K after solution treatment and cold caliber rolling. On the other hand, a [110](β)//[001](α), (112)(β)//(200)(α) orientation relationship is observed in TNTZ rod subjected to aging treatment at 723 K after cold swaging. A high 0.2% proof stress of about 1200 MPa, high elongation of 18%, and high fatigue strength of 950 MPa indicate that aging treatment at 723 K after cold swaging is the optimal thermo-mechanical process for a TNTZ rod.

  8. Large pinning forces and matching effects in YBa2Cu3O7-δ thin films with Ba2Y(Nb/Ta)O6 nano-precipitates

    PubMed Central

    Opherden, Lars; Sieger, Max; Pahlke, Patrick; Hühne, Ruben; Schultz, Ludwig; Meledin, Alexander; Van Tendeloo, Gustaaf; Nast, Rainer; Holzapfel, Bernhard; Bianchetti, Marco; MacManus-Driscoll, Judith L.; Hänisch, Jens

    2016-01-01

    The addition of mixed double perovskite Ba2Y(Nb/Ta)O6 (BYNTO) to YBa2Cu3O7−δ (YBCO) thin films leads to a large improvement of the in-field current carrying capability. For low deposition rates, BYNTO grows as well-oriented, densely distributed nanocolumns. We achieved a pinning force density of 25 GN/m3 at 77 K at a matching field of 2.3 T, which is among the highest values reported for YBCO. The anisotropy of the critical current density shows a complex behavior whereby additional maxima are developed at field dependent angles. This is caused by a matching effect of the magnetic fields c-axis component. The exponent N of the current-voltage characteristics (inversely proportional to the creep rate S) allows the depinning mechanism to be determined. It changes from a double-kink excitation below the matching field to pinning-potential-determined creep above it. PMID:26887291

  9. Enhanced 77 K vortex-pinning in Y Ba2Cu3O7-x films with Ba2Y TaO6 and mixed Ba2Y TaO6 + Ba2Y NbO6 nano-columnar inclusions with irreversibility field to 11 T

    NASA Astrophysics Data System (ADS)

    Rizzo, F.; Augieri, A.; Angrisani Armenio, A.; Galluzzi, V.; Mancini, A.; Pinto, V.; Rufoloni, A.; Vannozzi, A.; Bianchetti, M.; Kursumovic, A.; MacManus-Driscoll, J. L.; Meledin, A.; Van Tendeloo, G.; Celentano, G.

    2016-06-01

    Pulsed laser deposited thin Y Ba2Cu3O7-x (YBCO) films with pinning additions of 5 at. % Ba2Y TaO6 (BYTO) were compared to films with 2.5 at. % Ba2Y TaO6 + 2.5 at. % Ba2Y NbO6 (BYNTO) additions. Excellent magnetic flux-pinning at 77 K was obtained with remarkably high irreversibility fields greater than 10 T (YBCO-BYTO) and 11 T (YBCO-BYNTO), representing the highest ever achieved values in YBCO films.

  10. Variation of Nb-Ta, Zr-Hf, Th-U and K-Cs in two diabase-granophyre suites

    USGS Publications Warehouse

    Gottfried, D.; Greenland, L.P.; Campbell, E.Y.

    1968-01-01

    Concentrations of Nb, Ta, Zr, Hf, Th, U and Cs have been determined in samples of igneous rocks representing the diabase-granophyre suites from Dillsburg, Pennsylvania, and Great Lake, Tasmania. Niobium and tantalum have a three to fourfold increase with differentiation in each of the suites. The chilled margin of the Great Lake intrusion contains half the niobium and tantalum content (5.3 ppm and 0.4 ppm, respectively) of the chilled basalt from Dillsburg (10 ppm and 0.9 ppm, respectively). The twofold difference between the suites is correlated with differences in their titanium content. The average Nb Ta ratios for each suite are similar: 13.5 for the Great Lake suite, and 14.4 for the Dillsburg suite. The zirconium content of the two suites is essentially the same and increases from 50 to 60 ppm in the chilled margins to 240-300 ppm in the granophyres. Hafnium is low in the early formed rocks (0.5 -1.5 ppm and achieves a maximum in the granophyres (5-8 ppm). The Zr Hfratio decreases from 68 to 33 with progressive differentiation. In the Dillsburg suite thorium and uranium increase from 2.6 ppm and 0.6 ppm, respectively, in the chilled samples to 11.8 ppm and 3.1 ppm in the granophyres. The chilled margin of the Great Lake suite contains 3.2 ppm thorium and 9.8 ppm uranium; the granophyre contains 11.2 ppm thorium and 2.8 ppm uranium. The average Th U ratios of the Dillsburg and Great Lake suites are nearly the same-4.1 and 4.4, respectively. Within each suite the Th U ratio remains quite constant. Cesium and the K Cs ratio do not vary systematically in the Dillsburg suite possibly because of redistribution or loss of cesium by complex geologic processes. Except for the chilled margin of the Great Lake suite, the variation of Cs and the K Cs ratio are in accord with theoretical considerations. Cesium increases from about 0.6 ppm in the lower zone to 3.5 ppm in the granophyre; the K Cs ratio varies from 10 ?? 103 in the lower zone to 6 ?? 103 in the granophyre. A

  11. Structural and Electrical Properties of Rare Earth Double Perovskite Oxides Ba2CeMO6 (M = Ta5+ and Nb5+)

    NASA Astrophysics Data System (ADS)

    Bharti, Chandrahas; Sinha, T. P.

    2011-07-01

    We have synthesized rare earth double perovskite oxides barium cerium niobate Ba2CeNbO6 (BCN) and barium cerium tantalate Ba2CeNbO6 (BCT) by solid state reaction technique and studied the structural and electrical properties. The x-ray diffraction pattern at room temperature (25° C) shows monoclinic structure with the lattice parameters, a = 5.9763 Å, b = 5.975 Å and c = 8.48 Å and β = 90.04° for BCN and a = 5.9763 Å, b = 5.975 Å and c = 8.48 Å and β = 90.034° for BCT. Scanning electron micrograph (SEM) shows the formation of grains with different shape and size The AC electrical conductivity (σ) ( = ωɛoΕ″) is obtained from the temperature dependence of the real (Ε') and imaginary (e") components of the complex dielectric constant Ε* ( = Ε--jΕ″). The frequency dependent conductivity spectra follow the universal power law.

  12. Origin of magnetoelectric effect in Co4Nb2O9 and Co4Ta2O9 : The lessons learned from the comparison of first-principles-based theoretical models and experimental data

    NASA Astrophysics Data System (ADS)

    Solovyev, I. V.; Kolodiazhnyi, T. V.

    2016-09-01

    We report results of joint experimental and theoretical studies on magnetoelectric (ME) compounds Co4Nb2O9 and Co4Ta2O9 . On the experimental side, we present results of the magnetization and dielectric permittivity measurements in the magnetic field. On the theoretical side, we construct the low-energy Hubbard-type model for the magnetically active Co 3 d bands in the Wannier basis, using the input of the first-principles electronic structure calculations, solve this model in the mean-field Hartree-Fock approximation, and evaluate the electric polarization in terms of the Berry phase theory. Both experimental and theoretical results suggest that Co4Ta2O9 is magnetically softer than Co4Nb2O9 . Therefore, it is reasonable to expect that the antiferromagnetic structure of Co4Ta2O9 can be easier deformed by the external magnetic field, yielding larger polarization. This trend is indeed reproduced by our theoretical calculations, but does not seem to be consistent with the experimental behavior of the polarization and dielectric permittivity. Thus, we suggest that there should be a hidden mechanism controlling the ME coupling in these compounds, probably related to the magnetic striction or a spontaneous change of the magnetic structure, which breaks the inversion symmetry. Furthermore, we argue that unlike in other ME systems (e.g., Cr2O3 ), in Co4Nb2O9 and Co4Ta2O9 there are two crystallographic sublattices, which contribute to the ME effect. These contributions are found to be of the opposite sign and tend to compensate each other. The latter mechanism can be also used to control and reverse the electric polarization in these compounds.

  13. Synthesis, crystal structure and characterization of new 12H hexagonal perovskite-related oxides Ba 6M2Na 2X2O 17 ( M=Ru, Nb, Ta, Sb; X=V, Cr, Mn, P, As)

    NASA Astrophysics Data System (ADS)

    Quarez, Eric; Abraham, Francis; Mentré, Olivier

    2003-11-01

    The new Ba 6Ru 2Na 2X2O 17 ( X=V, Mn) compounds have been prepared by electrosynthesis in molten NaOH and their crystal structures have been refined from single crystals X-ray diffraction, space group P6 3/ mmc, Z=2, for X=V: a =5.8506(1) Å, c =29.6241(4) Å, R1=4.76%, for X=Mn : a =5.8323(1) Å, c =29.5299(3) Å, R1=3.48%. The crystal structure is a 12H-type perovskite with a ( c' cchcc) 2 stacking sequence of [BaO 3] c, [BaO 3] h and [BaO 2] c' layers. The tridimensional edifice is formed by blocks of Ru 2O 9 dimers that share corners with NaO 6 octahedra. These blocks sandwich double sheets of X5+O 4 tetrahedra. Several isotypic Ba 6M5+2Na 2X5+2O 17 materials ( X=V, Cr, Mn, P, As) and ( M=Ru, Nb, Ta, Sb) have been prepared by solid state reaction and characterized by Rietveld analysis. The magnetic and electric properties have been investigated and show besides the Ru 5+2O 9 typical intradimer antiferromagnetic couplings, discrepancies of both χ and ρ versus T at 50 and 100 K for Ba 6Ru 2Na 2X2O 17 ( X=V, As). In this work, a review of the identified Ru-hexagonal perovskite materials is also reported in order to overview the wide variety of possibilities in the field of new compounds synthesis.

  14. Two-Dimensional Nb-Based M 4 C 3 Solid Solutions (MXenes)

    SciTech Connect

    Yang, Jian; Naguib, Michael; Ghidiu, Michael; Pan, Li-Mei; Gu, Jian; Nanda, Jagjit; Halim, Joseph; Gogotsi, Yury; Barsoum, Michel W.; Zhou, Y.

    2015-10-15

    Two new two-dimensional Nb4C3-based solid solutions (MXenes), (Nb0.8,Ti0.2)4C3Tx and (Nb0.8,Zr0.2)4C3Tx (where T is a surface termination) were synthesizedas confirmed by X-ray diffractionfrom their corresponding MAX phase precursors (Nb0.8,Ti0.2)4AlC3 and (Nb0.8,Zr0.2)4AlC3. In our report we discuss Zr-containing MXene. We also studied intercalation of Li ions into these two compositions, and Nb4C3Tx in order to determine the potential of those materials for energy storage applications. Lithiation and delithiation peaks at 2.26 and 2.35 V, respectively, appeared in the case of Nb4C3Tx, but were not present in Nb2CTx. After 20 cycles at a rate of C/4, the specific capacities of (Nb0.8,Ti0.2)4C3Txand (Nb0.8,Ti0.2)4C3Tx were 158 and 132 mAh/g, respectively, both slightly lower than the capacity of Nb4C3Tx.

  15. Perovskite solid solutions in the BaO-CuO-Y 2O 3-Nb 2O 5 system

    NASA Astrophysics Data System (ADS)

    Bremer, M.; Langbein, H.

    1999-07-01

    Freeze dried complex carboxylates are highly reactive precursors for complex perovskite solid solutions in the system BaO-CuO-Y 2O 3-Nb 2O 5 On thermal decomposition of the amorphous precursors the formation of complex crystalline phases begins at 600 °C. In most cases the themodynamically controlled phase composition is reached after a reaction time of two hours at about 900 °C. Beginning from the perovskite compound Ba 2YNbO 6 a partial substitution of Y by Cu or by a combination 2/3 Cu,1/3 Nb leads to extended fields of solid solutions with cubic perovskite structure. Substitution according to Y 0,5xBa 2(Y 1-0,5xCu xNb)O 6+x is limited to x ≤ 0,4. A compound LBa 2Cu 2NbO 8 (x=2), well characterized for L=La, does not exist for L=Y. The composition of solid solutions depends on the preparation conditions. There are some signs for an inhomogeneous distribution of B-cations in the cubic perovskites.

  16. New solid acids in the triple-layer Dion-Jacobson layered perovskite family

    SciTech Connect

    Geselbracht, Margret J.; White, Helen K.; Blaine, Jeanette M.; Diaz, Miranda J.; Hubbs, Jennifer L.; Adelstein, Nicole; Kurzman, Joshua A.

    2011-03-15

    Research highlights: {yields} New triple-layer Dion-Jacobson layered perovskite solid solutions synthesized. {yields} New series of Ta-doped layered perovskite solid acids, HCa{sub 2}Nb{sub 3-x}Ta{sub x}O{sub 10}. {yields} New series of Sr-doped layered perovskite solid acids, HCa{sub 2-x}Sr{sub x}Nb{sub 3}O{sub 10}. {yields} Layered perovskites with highest Ta content are weaker solid acids than HCa{sub 2}Nb{sub 3}O{sub 10}. -- Abstract: Dion-Jacobson type layered perovskites such as A'Ca{sub 2}Nb{sub 3}O{sub 10} (A' = K, Rb, H) have continued to be of great interest due to their compositional variability, rich interlayer chemistry, and wide range of physical properties. In this study, we investigated the range and effects of substitutional doping of Ta{sup 5+} for Nb{sup 5+} and of Sr{sup 2+} for Ca{sup 2+} in A'Ca{sub 2}Nb{sub 3}O{sub 10}. We have prepared and characterized three new solid solutions: KCa{sub 2}Nb{sub 3-x}Ta{sub x}O{sub 10}, RbCa{sub 2}Nb{sub 3-x}Ta{sub x}O{sub 10}, and RbCa{sub 2-x}Sr{sub x}Nb{sub 3}O{sub 10}. These materials all readily undergo proton exchange to form two new series of hydrated solid acid phases, which in most cases can be dehydrated to form stable HCa{sub 2}Nb{sub 3-x}Ta{sub x}O{sub 10} and HCa{sub 2-x}Sr{sub x}Nb{sub 3}O{sub 10} compounds. Intercalation studies with n-hexylamine and pyridine were carried out to gauge the relative Bronsted acidities across the HCa{sub 2}Nb{sub 3-x}Ta{sub x}O{sub 10} series, and we determined that materials with the highest tantalum contents are weaker acids than the parent compound HCa{sub 2}Nb{sub 3}O{sub 10}. Preliminary intercalation studies with pyridine for the HCa{sub 2-x}Sr{sub x}Nb{sub 3}O{sub 10}.yH{sub 2}O solid acids, however, showed no significant difference in acidity with varying strontium content.

  17. Vortex Matter in Highly Strained Nb_{75} Zr_{25} : Analogy with Viscous Flow of Disordered Solids

    NASA Astrophysics Data System (ADS)

    Chandra, Jagdish; Manekar, Meghmalhar; Sharma, V. K.; Mondal, Puspen; Tiwari, Pragya; Roy, S. B.

    2016-06-01

    We present the results of magnetization and magneto-transport measurements in the superconducting state of an as-cast Nb_{75} Zr_{25} alloy. We also report the microstructure of our sample at various length scales by using optical, scanning electron and transmission electron microscopies. The information of microstructure is used to understand the flux pinning properties in the superconducting state within the framework of collective pinning. The magneto-transport measurements show a non-Arrhenius behaviour of the temperature- and field-dependent resistivity across the resistive transition and is understood in terms of a model for viscous flow of disordered solids which is popularly known as the `shoving model'. The activation energy for flux flow is assumed to be mainly the elastic energy stored in the flux-line lattice. The scaling of pinning force density indicates the presence of two pinning mechanisms of different origins. The elastic constants of the flux-line lattice are used to estimate the length scale of vortex lattice movement, or the volume displaced by the flux-line lattice. It appears that the vortex lattice displacement estimated from elastic energy considerations is of the same order of magnitude as that of the flux bundle hopping length during flux flow. Our results could provide possible directions for establishing a framework where vortex matter and glass-forming liquids or amorphous solids can be treated in a similar manner for understanding the phenomenon of viscous flow in disordered solids or more generally the pinning and depinning properties of elastic manifolds in random media. It is likely that the vortex molasses scenario is more suited to explain the vortex dynamics in conventional low-T_C superconductors.

  18. Precursor effects and ferroelectric macroregions in KTa sub 1 minus x Nb sub x O sub 3 and K sub 1 minus y Li sub y TaO sub 3

    SciTech Connect

    Toulouse, J.; DiAntonio, P.; Vugmeister, B.E.; Wang, X.M.; Knauss, L.A. )

    1992-01-13

    In the present paper, dielectric, polarization, and Raman results have been combined to identify the existence of a ferroelectric phase transition in the substitutionally disordered dipolar system, KTa{sub 1{minus}{ital x}}Nb{sub {ital x}}O{sub 3}, for low Nb concentrations ({ital x}=1.2%). A detailed study of the first-order TO{sub 2} and TO{sub 3} Raman lines reveals (1) the existence of polar microregions well above {ital T}{sub {ital c}} and (2) the structural transition at {ital T}{sub {ital c}} with the appearance of ferroelectric macroregions. Similar results are obtained in K{sub 1{minus}{ital y}}Li{sub {ital y}}TaO{sub 3} with a quantitative difference due to the slow reorientation of Li. These results can be explained by a random-field model which predicts the coexistence of both dipolar glass and ferroelectric behavior.

  19. Enhancement of photoelectrochemical activity of SnS thin-film photoelectrodes using TiO2, Nb2O5, and Ta2O5 metal oxide layers

    NASA Astrophysics Data System (ADS)

    Vequizo, Junie Jhon M.; Yokoyama, Masanori; Ichimura, Masaya; Yamakata, Akira

    2016-06-01

    Tin sulfide (SnS) fine photoelectrodes fabricated by three-step pulsed electrodeposition were active for H2 evolution. The incident-photon-conversion-efficiency increases from 900 nm and offers a good fit with the absorption spectrum. The activity was enhanced by 3.4, 3.0, and 1.8 times compared to bare SnS by loading Nb2O5, TiO2, and Ta2O5, respectively. Nb2O5 was most efficient because its conduction band is low enough to facilitate effective electron transfer from SnS; it also has sufficiently high potential for H2 evolution. The overall activity is determined by the competitive interfacial electron transfer between SnS/metal-oxide and metal-oxide/water. Therefore, constructing appropriate heterojunctions is necessary for further improving photoelectrochemical systems.

  20. β-Nb9VO25

    PubMed Central

    Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed

    2014-01-01

    The title compound, nona­niobium vanadium penta­cosa­oxide, was prepared by a solid-state reaction at 1198 K. It is isotypic with Nb9AsO25, Nb9PO25 and Ta9VO25. The structure consists of NbO6 octa­hedra (one with 4/m.. and two with m.. symmetry) and VO4 tetra­hedra (-4.. symmetry) sharing corners and edges to form a three-dimensional framework. This framework can be considered as a junction between ribbons made up from NbO6 octa­hedra and chains of NbO6 octa­hedra and chains of VO4 tetra­hedra. The V site shows half-occupancy, hence one half of the VO4 tetra­hedra is unoccupied. The structural differences with α-Nb9VO25, VOSO4, SbOPO4 and NbOPO4 oxides are discussed. PMID:24860297

  1. Aqueous Synthesis and Structural Comparison of Rare Earth Niobates and Tantalates: (La,K,[vacancy])[subscript 2]Nb[subscript 2]O[subscript 7-x](OH)[subscript 2] and Ln2Ta2O7(OH)2 ([vacancy] = vacancy; Ln = La-Sm)

    SciTech Connect

    Nyman, May; Rodriguez, Mark A.; Alam, Todd M.; Anderson, Travis M.; Ambrosini, Andrea

    2009-06-30

    Rare-earth niobates and tantalates are functional materials that are exploited as photocatalysts, host lattices for phosphors, and ion conductors. These phases are extremely challenging to synthesize by methods other than solid-state processing, which limits expansion of this useful class of materials. Hydrothermal processing in particular is hampered by the incompatibility of base-soluble tantalate or niobate with acid-soluble rare-earth oxides. Furthermore, an added challenge with tantalates is they are especially inert and insoluble. We present here a general hydrothermal process that has produced a range of rare-earth niobate/tantalate materials; including new phases, (La,K,{sub {open_square}}){sub 2}Nb{sub 2}O{sub 7-x}(OH){sub 2} (1) and Ln{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2} (2) ({open_square} = vacancy, Ln = La-Sm -- excluding radioactive promethium). The structures of 1 and the La-analogue of 2 were determined from powder X-ray diffraction data collected at the APS 11-BM line and corroborated by compositional analyses, infrared spectroscopy, {sup 139}La and {sup 1}H MAS NMR, and thermogravimetric analyses. The synthesis and characterization studies reveal that the tantalate (2) is compositionally pure with no vacancies or dopants, while the niobate (1) formed under identical conditions has both vacancies and potassium dopants. We attribute these features to the greater flexibility of Nb{sup 5+} in oxide lattices to accommodate distorted and lower coordination geometries, whereas Ta{sup 5+} is found predominantly in octahedral environments. Other differences in aqueous niobate and tantalate chemistry are noted by the different phases that form as a function of the Ln{sup 3+} radius.

  2. First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential

    NASA Astrophysics Data System (ADS)

    Bencherif, K.; Yakoubi, A.; Della, N.; Miloud Abid, O.; Khachai, H.; Ahmed, R.; Khenata, R.; Bin Omran, S.; Gupta, S. K.; Murtaza, G.

    2016-07-01

    Semi-Heusler materials are intensively investigated due to their potential use in diverse applications, such as in spintronics and green energy applications. In this work, we employ the density functional theory to calculate the structural, electronic, elastic, thermal and optical properties of the VRuSb, NbRuSb and TaRuSb semi-Heusler compounds. The calculated results for the lattice constants, bulk moduli and their corresponding pressure derivative values are in fairly good agreement with previous works. In addition, besides the local density approximation, the modified Becke-Johnson exchange potential is also used to improve the value of the band gaps. The bonding nature reveals a mixture of covalent and ionic bonding character of the VRuSb, NbRuSb and TaRuSb compounds. Furthermore, the elastic constants ( C ij) and the related elastic moduli confirm their stability in the cubic phase and demonstrate their ductile nature. We also analyze the influence of the pressure and temperature on the primitive cell volume, heat capacity, volume expansion coefficient, and Debye temperature of the semi-Heusler compounds. Additionally, we investigate the optical properties, such as the complex dielectric function, refractive index, reflectivity, and the energy loss function.

  3. Transition Metal-Substituted Lithium Pnictogenide phases. Synthesis and Crystal Structure Determinations of Novel Phases in the Li-M-X Systems (M=V, Nb, Ta; X=P, As)

    SciTech Connect

    Monconduit, Laure; Tillard-Charbonnel, Monique; Belin, Claude

    2001-01-01

    Li-M-X systems have been investigated and crystal structures of several phases determined. Li{sub 7}NbP{sub 4} crystallizes in the antifluorite-type structure (cubic, Fm{ovr 3}m, a=5.996(1) {angstrom}, Z=1, R (F)=3.02%). LiNbAs{sub 2} and Li{sub 4.54}V{sub 1.22}As{sub 4} display the blende-type structure, cubic F{ovr 4}3m space group (LiNbAs{sub 2}: a= 6.309(1) {angstrom}, Z=2, R(F)=2.12%; Li{sub 4.54}V{sub 1.22}As{sub 4}: a=6.167(1) {angstrom}, Z=1, R(F)=1.49%). In all compounds, the transition metal statistically occupies some of the tetrahedral sites with lithium. For Li{sub 4.54}V{sub 1.22}As{sub 4}, one of the octahedral sites of the fcc lattice is partially filled with lithium. This feature is also observed for the homologue compounds Li{sub x}(Li{sub 3.20}Nb{sub 0.80})As{sub 4} and Li{sub x}(Li{sub 3.64}Ta{sub 0.36})As{sub 4}, 0 < x {le} 4 (F3m, Z=1, a=6.190(3) and 6.184(3) {angstrom}, R (F)=1.76 and 3.42%, respectively).

  4. MORB mantle hosts the missing Eu (Sr, Nb, Ta and Ti) in the continental crust: New perspectives on crustal growth, crust-mantle differentiation and chemical structure of oceanic upper mantle

    NASA Astrophysics Data System (ADS)

    Niu, Yaoling; O'Hara, Michael J.

    2009-09-01

    We have examined the high quality data of 306 mid-ocean ridge basalt (MORB) glass samples from the East Pacific Rise (EPR), near-EPR seamounts, Pacific Antarctic Ridge (PAR), near-PAR seamounts, Mid-Atlantic Ridge (MAR), and near-MAR seamounts. The data show a correlated variation between Eu/Eu* and Sr/Sr*, and both decrease with decreasing MgO, pointing to the effect of plagioclase crystallization. The observation that samples with MgO > 9.5 wt.% (before plagioclase on the liquidus) show Eu/Eu* > 1 and Sr/Sr* > 1 and that none of the major phases (i.e., olivine, orthopyroxene, clinopyroxene, spinel and garnet) in the sub-ridge mantle melting region can effectively fractionate Eu and Sr from otherwise similarly incompatible elements indicates that the depleted MORB mantle (DMM) possesses excess Sr and Eu, i.e., [Sr/Sr*]DMM > 1 and [Eu/Eu*]DMM > 1. Furthermore, the well-established observation that DNb ≈ DTh, DTa ≈ DU and DTi ≈ DSm during MORB mantle melting, yet primitive MORB melts all have [Nb/Th]PMMORB > 1, [Ta/U]PMMORB > 1 and [Ti/Sm]PMMORB > 1 (where PM indicates primitive mantle normalized), also points to the presence of excess Nb, Ta and Ti in the DMM, i.e., [Nb/Th]PMDMM > 1, [Ta/U]PMDMM > 1 and [Ti/Sm]PMDMM > 1. The excesses of Eu, Sr, Nb, Ta and Ti in the DMM complement the well-known deficiencies of these elements in the bulk continental crust (BCC). These new observations, which support the notion that the DMM and BCC are complementary in terms of the overall abundances of incompatible elements, offer new insights into the crust-mantle differentiation. These observations are best explained by partial melting of amphibolite of MORB protolith during continental collision, which produces andesitic melts with a remarkable compositional (major and trace element abundances as well as key elemental ratios) similarity to the BCC, as revealed by andesites in southern Tibet produced during the India-Asia continental collision. An average amphibolite of MORB

  5. A-SITE-AND/OR B-SITE-MODIFIED PBZRTIO3 MATERIALS AND (PB, SR, CA, BA, MG) (ZR, TI,NB, TA)O3 FILMS HAVING UTILITY IN FERROELECTRIC RANDOM ACCESS MEMORIES AND HIGH PERFORMANCE THIN FILM MICROACTUATORS

    NASA Technical Reports Server (NTRS)

    Roeder, Jeffrey F. (Inventor); Chen, Ing-Shin (Inventor); Bilodeau, Steven (Inventor); Baum, Thomas H. (Inventor)

    2004-01-01

    A modified PbZrTiO.sub.3 perovskite crystal material thin film, wherein the PbZrTiO.sub.3 perovskite crystal material includes crystal lattice A-sites and B-sites at least one of which is modified by the presence of a substituent selected from the group consisting of (i) A-site substituents consisting of Sr, Ca, Ba and Mg, and (ii) B-site substituents selected from the group consisting of Nb and Ta. The perovskite crystal thin film material may be formed by liquid delivery MOCVD from metalorganic precursors of the metal components of the thin film, to form PZT and PSZT, and other piezoelectric and ferroelectric thin film materials. The thin films of the invention have utility in non-volatile ferroelectric memory devices (NV-FeRAMs), and in microelectromechanical systems (MEMS) as sensor and/or actuator elements, e.g., high speed digital system actuators requiring low input power levels.

  6. Structure, bonding and stability of semi-carbides M2C and sub-carbides M4C (M=V, Cr, Nb, Mo, Ta, W): A first principles investigation

    NASA Astrophysics Data System (ADS)

    Abderrahim, F. Z.; Faraoun, H. I.; Ouahrani, T.

    2012-09-01

    Density functional theory within the generalized gradient approximation (GGA) is used to investigate the electronic structure and formation energies of semi-carbides M2C and sub-carbides M4C (where M=V, Cr, Nb, Mo, Ta and W). Our results show that M2C carbides are more stable than M4C. Total and partial densities of states were obtained and analyzed systematically for these phases. Moreover, the bonding nature of M2C polymorphs is studied from the point of view of the Quantum Theory of Atoms in Molecules (QTAIM). It is found that inter-atomic interactions in these carbides are of mixed type including ionic, covalent and metallic components.

  7. Theoretical study of interface structure and energetics in semicoherent Fe(001)/MX(001) systems ( M=Sc , Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N)

    NASA Astrophysics Data System (ADS)

    Fors, Dan H. R.; Wahnström, Göran

    2010-11-01

    We perform a systematic ab initio study of the electronic and atomic structure of semicoherent interfaces between bcc Fe and NaCl MX ( M=Sc , Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N). The interface energetics is accessed by using a Peierls-Nabarro framework, in which ab initio data for the chemical interactions across the interface are combined with a continuum description to account for the elastic distortions. The key factors to the trends in the interface energy are identified and discussed with respect to the size of the misfit and the electronic structure of the MX phase. Our approach shows that the inclusion of lattice misfit can have a significant contribution to the interface energy (up to 1.5J/m2 ) and must therefore be thoroughly accounted for in the interface description. The results will have important bearings on our ability to understand and describe precipitate stability in steels.

  8. Effects of Zn Substitution on Dielectric and Piezoelectric Properties of (Na0.54K0.46)0.96Li0.04(Nb0.90Ta0.10)O3 Ceramics

    NASA Astrophysics Data System (ADS)

    Byeon, Sunmin; Yoo, Juhyun

    2012-09-01

    In this study, in order to develop lead-free composition ceramics for piezoelectric actuator and sensor applications, (Na0.54K0.46)0.96Li0.04(Nb0.90Ta0.10)1-2x/5ZnxO3 (x = 0-1.5 mol %) composition ceramics were fabricated by a conventional sintering technique at 1110 °C for 5 h. The piezoelectric properties of resultant ceramics were studied with a special emphasis on the influence of Zn-substitution amount. The crystal structure of the specimen exhibited a pure perovskite phase with the coexistence of two phases (orthorhombic and tetragonal phases). However, the phases included tetragonal-rich phases to some extent. The scanning electron microscopy (SEM) images indicated that grain size increased with increasing the content of Zn substitution. High physical properties, namely, piezoelectric constant d33 = 265 pC/N, electromechanical coupling factor kp = 47.5%, dielectric constant ɛr = 1223, and measured density ρ= 4.84 g/cm3 were obtained from the composition ceramic with x = 0.5 mol %. The mechanical quality factor (Qm) was improved from 54 of pure (Na0.54K0.46)0.96Li0.04(Nb0.90Ta0.10)O3 (abbreviated as NKLNT) to 106 by 1.5 mol % Zn substitution. The results reflect that the material is a promising candidate for lead-free high-performance piezoelectric device applications, such as piezoelectric actuators and sensors.

  9. Electrically tunable microwave properties in NiFeTa/[Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32(011) magnetoelectric heterostructures

    NASA Astrophysics Data System (ADS)

    Phuoc, Nguyen N.; Ong, C. K.

    2015-02-01

    The studied magnetoelectric heterostructure consisting of a NiFeTa thin film grown onto a [Pb(Mg1/3Nb2/3)O3]0.68-[PbTiO3]0.32(011) (PMN-PT) substrate was prepared by using gradient-composition sputtering technique. A shorted micro-strip transmission-line perturbation method using a vector network analyzer was employed to study the electrical field modulation of microwave properties of the NiFeTa/PMN-PT heterostructure. It was found that the resonance frequency of the sample can be tuned from 1.72 GHz to 2.05 GHz when the applied electrical field is varied from -6 kV/cm to 6 kV/cm. Moreover, we experimentally observed a quasi-linear relationship between the resonance frequency and the electrical field in a wide range of electrical field from 0 kV/cm to 6 kV/cm in the heterostructure, which is suggested to be useful for applications. All the results are discussed taking into account the reverse magnetostrictive effect and the reverse piezoelectric effect.

  10. Unique LaTaO[subscript 4] Polymorph for Multiple Energy Applications

    SciTech Connect

    Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.

    2009-11-04

    Rare-earth niobate and tantalate (RE-Nb/Ta) materials are of considerable interest in environmental and energy-related applications that include phosphors for solid-state lighting, photocatalysts for both contaminant degeneration and H{sub 2} generation, chemically robust hosts for nuclear materials and wastes, and ion conductors for lithium batteries or solid-oxide fuel cells. However, the chemically inert nature limits the synthetic routes available to obtain these materials, which in turn hampers the discovery and development of new RE-Nb/Ta phases. Of the simple orthotantalate, LaTaO{sub 4}, there were three polymorphs known prior. With this paper, we present the structural characterization (from high-resolution X-ray powder diffraction data collected at the APS 11-BM line) of a fourth polymorph. It is obtained only from dehydration of La{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2}, which is in turn synthesized hydrothermally. The structure of the new LaTaO{sub 4} polymorph is distinctive from the others in the arrangement of the alternating La-O polyhedra layers and TaO{sub 6} octahedra layers. Luminescence measurements (Eu-doped) and photocatalysis studies of the new LaTaO{sub 4} polymorph, and comparison to the performance of a previously described LaTaO{sub 4} polymorph reveals enhanced performance of the new polymorph in both applications. This study illustrates the relevance of form-function relationships in solid-state materials, as well as the important role of synthesis in the development of advanced functional materials.

  11. Structure and dielectric properties of solid solutions Bi7Ti4 + x W x Ta1-2 x O21 ( x = 0-0.5)

    NASA Astrophysics Data System (ADS)

    Zubkov, S. V.; Vlasenko, V. G.; Shuvaeva, V. A.; Shevtsova, S. I.

    2016-01-01

    A number of solid solutions Bi7Ti4 + x W x Ta1-2 x O21 ( x = 0-0.5) have been synthesized from oxides by solid-phase reaction. The crystal structure, the electrophysical characteristics, and the microstructure of the prepared ceramic samples have been studied. According to X-ray powder diffraction, all the compounds are single-phase with the structure of mixed-layer Aurivillius phases ( m = 2.5) with the orthorhombic crystal lattice (space group I2 cm, Z = 2). Temperature dependences of the relative permittivity ɛ( T) of the compound have been measured, from which it has been found that the Curie temperature T C of perovskite-like oxides Bi7Ti4 + x W x Ta1-2 x O21 ( x = 0-0.5) decreases linearly as substitution parameter x decreases. The activation energies of charge carriers have been found in different temperature ranges.

  12. Anisotropy of ionic conduction in single-crystal Li x La(1- x )/3NbO3 solid electrolyte grown by directional solidification

    NASA Astrophysics Data System (ADS)

    Fujiwara, Yasuyuki; Taishi, Toshinori; Hoshikawa, Keigo; Kohama, Keiichi; Iba, Hideki

    2016-09-01

    The anisotropy of ionic conduction in a solid electrolyte (Li x La(1- x )/3NbO3) was experimentally confirmed for the first time. Ionic conduction measurements were carried out on the (100), (010), (001), (110), (111), and (112) planes of single-crystal ingots of Li x La(1- x )/3NbO3 grown by directional solidification. We found that the ionic conductivity in Li x La(1- x )/3NbO3 with x = 0.08 was 3.6 × 10-4 S cm-1 in the [100] and [010] directions, approximately 10 times higher than that in the [001] direction. Such anisotropy of the ionic conduction is discussed with respect to the characteristic layered structure of Li x La(1- x )/3NbO3.

  13. Anisotropy of ionic conduction in single-crystal Li x La(1‑ x )/3NbO3 solid electrolyte grown by directional solidification

    NASA Astrophysics Data System (ADS)

    Fujiwara, Yasuyuki; Taishi, Toshinori; Hoshikawa, Keigo; Kohama, Keiichi; Iba, Hideki

    2016-09-01

    The anisotropy of ionic conduction in a solid electrolyte (Li x La(1‑ x )/3NbO3) was experimentally confirmed for the first time. Ionic conduction measurements were carried out on the (100), (010), (001), (110), (111), and (112) planes of single-crystal ingots of Li x La(1‑ x )/3NbO3 grown by directional solidification. We found that the ionic conductivity in Li x La(1‑ x )/3NbO3 with x = 0.08 was 3.6 × 10‑4 S cm‑1 in the [100] and [010] directions, approximately 10 times higher than that in the [001] direction. Such anisotropy of the ionic conduction is discussed with respect to the characteristic layered structure of Li x La(1‑ x )/3NbO3.

  14. Ion beam and defect-related research in the Solid State Division. [LiNbO/sub 3/, Al/sub 2/O/sub 3/

    SciTech Connect

    Roberto, J.B.

    1986-08-05

    This paper contains viewgraphs on the topic of radiation effects of solid state materials. In particular, it elaborates on ion beam deposition of thin film structures, ion implantation damage in crystals of Al/sub 2/O/sub 3/, and ion implanted optical waveguides in LiNbO/sub 3/. (LSP)

  15. History-dependent thermal expansion in NbO{sub 2}F

    SciTech Connect

    Wilkinson, Angus P.; Josefsberg, Ryan E.; Gallington, Leighanne C.; Morelock, Cody R.; Monaco, Christopher M.

    2014-05-01

    Materials with cubic ReO{sub 3}-type structures are of interest for their low or negative thermal expansion characteristics. TaO{sub 2}F is known to display almost zero thermal expansion over a wide temperature range. On heating NbO{sub 2}F, its volume coefficient of thermal expansion decreases from ∼+45 ppm K{sup −1} at 100 K to almost zero at 400 K. NbO{sub 2}F is cubic between 100 and 500 K. Samples of “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying contain hydroxyl defects and metal vacancies. On heating, they can undergo irreversible chemical changes while maintaining a cubic ReO{sub 3}-type structure. The possibility of hydroxyl defect incorporation should be considered when preparing oxyfluorides for evaluation as battery materials. - Graphical abstract: “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in HF contains cation vacancies and hydroxyl groups. It undergoes irreversible changes on heating to low temperatures, unlike NbO{sub 2}F prepared by the solid state reaction of Nb{sub 2}O{sub 5} and NbF{sub 5}. - Highlights: • The digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying does not produce NbO{sub 2}F. • The ReO{sub 3}-type product from the HF digestion of Nb{sub 2}O{sub 5} contains metal vacancies and hydroxyl. • The thermal expansion coefficient of NbO{sub 2}F decreases on heating and approaches zero at ∼400 K.

  16. Intercalation of the layered solid acid HCa/sub 2/Nb/sub 3/O/sub 10/ by organic amines

    SciTech Connect

    Jacobson, A.J.; Johnson, J.W.; Lewandowski, J.T.

    1987-01-01

    Layered compounds of formula C/sub n/H/sub 2n+1/NH/sub 3/Ca/sub 2/Nb/sub 3/O/sub 10/ are formed by reaction of n-alkylamines with the solid acid HCa/sub 2/Nb/sub 3/O/sub 10/. Other organic bases such as pyridine can also be intercalated. The lattice constants of the new compounds have been determined by powder X-ray diffraction. The unit cells are tetragonal with a axes that are unchanged with variation of the intercalated amine. The c axes lengths (layer spacings) vary systematically with the hydrocarbon chain length of the alkylamine.

  17. Solid-state synthesis of Ti2Nb10O29/reduced graphene oxide composites with enhanced lithium storage capability

    NASA Astrophysics Data System (ADS)

    Wang, Wan Lin; Oh, Byeong-Yun; Park, Ju-Young; Ki, Hangil; Jang, Jaewon; Lee, Gab-Yong; Gu, Hal-Bon; Ham, Moon-Ho

    2015-12-01

    Owing to their multiple redox couples, titanium-niobium-based oxides are still considered promising candidates for use as anodes for safe, rechargeable lithium ion batteries with high energy and power densities. Titanium-niobium-based oxide electrodes have, however, exhibited relatively poor cycling performance as a result of pulverization. In this study, we report on a simple two-step solid-state reaction route for producing hybrid composites of Ti2Nb10O29 (TNO) anchored on reduced graphene oxide (RGO), and the electrochemical performance of the resulting TNO/RGO composites. Solid-state reactions enable both the formation of TNO and the uniform distribution of RGO in the TNO/RGO composites. The TNO/RGO composites exhibited discharge and charge capacities of 261 and 256 mAh g-1, respectively, with much better cycling performance (182 mAh g-1 after the 50th cycles) and rate capability (165 mAh g-1 at a current density of 500 mA g-1) compared to the pure TNO.

  18. Electrochemical characterization of a low modulus Ti-35.5Nb-7.3Zr-5.7Ta alloy in a simulated body fluid using EIS for biomedical applications

    SciTech Connect

    Bhola, R.; Bhola, S. M.; Mishra, B.; Ayers, R. A.; Olson, D. L.

    2011-06-23

    Electrochemical characterization of the low modulus Ti-35.5Nb-7.3Zr-5.7Ta beta alloy (TNZT) has been performed in phosphate buffer saline solution at 37 deg. C using the non destructive electrochemical impedance spectroscopy technique. Measurements were performed at various immersion intervals at the open circuit potential (OCP), which was also monitored with time. Results obtained for TNZT alloy have been compared with those for the commercially used Ti-6Al-4V mixed alloy (Ti64) and the commercially pure titanium (Ti2) alpha alloy. Potentiodynamic polarization was performed to supplement the data obtained from EIS analysis. The TNZT alloy exhibits a two time constant impedance response, whereas the Ti64 and Ti2 alloys display a one time constant behavior. Human fetal osteoblast cells show a better adhesion and a higher cell count for the TNZT alloy compared to the other two alloys. The present investigation is an effort to understand the correlation between the electrochemical, morphological and cellular characteristics of titanium alloys to qualify them for implant applications.

  19. Scanning tunneling microscopy study of nano-structured polyatom-substituted H4PW11M1O40 Keggin and H7P2W17M1O62 (M = Nb, Ta) Wells-Dawson heteropolyacid catalysts.

    PubMed

    Choi, Jung Ho; Park, Dong Ryul; Park, Sunyoung; Song, In Kyu

    2012-07-01

    Polyatom-substituted H4PW11M1O40 Keggin and H7P2W17M1O62 (M = Nb, Ta) Wells-Dawson heteropolyacid (HPA) catalysts were investigated by scanning tunneling microscopy (STM) and tunneling spectroscopy to elucidate their redox property and oxidation catalysis. STM images clearly showed that HPAs formed nano-structured monolayer arrays on graphite surface. In tunneling spectroscopy, HPAs exhibited a distinctive current-voltage behavior called negative differential resistance (NDR). NDR peak voltage of the HPAs was then correlated with reduction potential determined by electrochemical method in solution. NDR peak voltage of the HPAs appeared at less negative voltage with increasing reduction potential. Vapor-phase oxidative dehydrogenation of isobutyraldehyde to methacrolein was also carried out as a model reaction to probe oxidation catalysis of the HPAs. NDR peak voltage of the HPAs appeared at less negative voltage with increasing yield for methacrolein. NDR peak voltage could be utilized as a correlating parameter for the reduction potential and as a probe of oxidation catalysis in the oxidative dehydrogenation of isobutyraldehyde. PMID:22966671

  20. Synthesis and characterization of compounds Sr{sub 2}{ital RM}Cu{sub 2}O{sub 8{minus}{delta}} ({ital R}=Pr, Nd, Sm, Eu, Gd; {ital M}=Nb, Ta)

    SciTech Connect

    Vybornov, M.; Perthold, W.; Michor, H.; Holubar, T.; Hilscher, G.; Rogl, P.; Fischer, P.; Divis, M.

    1995-07-01

    Although traces of superconductivity ({lt}0.2%) have been detected in Ba{sub 2}La{ital M}{sub 1{minus}{ital x}}W{sub {ital x}}Cu{sub 2}O{sub 8{minus}{delta}} ({ital x}{similar_to}0.3,{ital M}=Nb,Ta) below 30 K, the superconducting impurity phase could not be resolved. The antiferromagnetic (AF) order of the rare-earth sublattice in this {ital R}-2112 system (e.g., {ital T}{sub {ital N}}{sup Gd}=2.18 K) appears to be similar to that of the {ital R}Ba{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} series (e.g., {ital T}{sub {ital N}}{sup Gd}=2.29 K); however, the exceptional high AF order of Pr in Pr-123 (with 17 K) is reduced to below 2.3 K for Sr{sub 2}Pr{ital M} Cu{sub 2}O{sub 8{minus}{delta}}. The temperature and field dependence of the specific heat and the susceptibility is discussed in terms of crystal field splitting derived from the {ital R}Ba{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} compounds. Overall crystal field splitting in the title compounds is comparable with that of the {ital R}-123 compounds.

  1. Bending springback behavior related to deformation-induced phase transformations in Ti-12Cr and Ti-29Nb-13Ta-4.6Zr alloys for spinal fixation applications.

    PubMed

    Liu, Huihong; Niinomi, Mitsuo; Nakai, Masaaki; Hieda, Junko; Cho, Ken

    2014-06-01

    The springback behavior of Ti-12Cr and Ti-29Nb-13Ta-4.6Zr (TNTZ) during deformation by bending was investigated; and the microstructures of the non-deformed and deformed parts of both alloys were systematically examined to clarify the relationship between microstructure and springback behavior. For the deformed Ti-12Cr alloy, deformation-induced ω-phase transformation occurs in both the areas of compression and tension within the deformed part, which increases the Young׳s modulus. With the deformed TNTZ alloy, deformation-induced ω-phase transformation is observed in the area of compression within the deformed part; while a deformation-induced α″ martensite transformation occurs in the area under tension, which is likely to be associated with the pseudoelasticity of TNTZ. Among these two alloys, Ti-12Cr exhibits a smaller springback and a much greater bending strength when compared with TNTZ; making Ti-12Cr the more advantageous for spinal fixation applications. PMID:24561725

  2. Bending springback behavior related to deformation-induced phase transformations in Ti-12Cr and Ti-29Nb-13Ta-4.6Zr alloys for spinal fixation applications.

    PubMed

    Liu, Huihong; Niinomi, Mitsuo; Nakai, Masaaki; Hieda, Junko; Cho, Ken

    2014-06-01

    The springback behavior of Ti-12Cr and Ti-29Nb-13Ta-4.6Zr (TNTZ) during deformation by bending was investigated; and the microstructures of the non-deformed and deformed parts of both alloys were systematically examined to clarify the relationship between microstructure and springback behavior. For the deformed Ti-12Cr alloy, deformation-induced ω-phase transformation occurs in both the areas of compression and tension within the deformed part, which increases the Young׳s modulus. With the deformed TNTZ alloy, deformation-induced ω-phase transformation is observed in the area of compression within the deformed part; while a deformation-induced α″ martensite transformation occurs in the area under tension, which is likely to be associated with the pseudoelasticity of TNTZ. Among these two alloys, Ti-12Cr exhibits a smaller springback and a much greater bending strength when compared with TNTZ; making Ti-12Cr the more advantageous for spinal fixation applications.

  3. Structural characterization and electrical conductivity of the Ca0.01La0.99-xSmxNbO4-δ solid series

    NASA Astrophysics Data System (ADS)

    Cao, Yong; Duan, Nanqi; Yan, Dong

    2016-05-01

    Ca0.01La0.99-xSmxNbO4-δ (x=0, 0.1, 0.2, 0.4, 0.6, 0.8, 0.99) is prepared by using a solid reaction route, and single phase is achieved. Structural and phase transformation of Ca0.01La0.99-xSmxNbO4-δ have been characterized by high temperature X-ray diffraction. The lattice parameters a, b, c decrease and γ increases with increasing x, at both room and high temperature. The phase transformation temperature increases linearly with increasing x for Ca0.01La0.99-xSmxNbO4-δ. The electrical conductivity of Ca0.01La0.99-xSmxNbO4-δ is measured in wet air. A clear relationship between the structural, phase transformation and electrical conductivity of Ca0.01La0.99-xSmxNbO4-δ is built, which will provide a guideline to tailor the electrical conductivity.

  4. Formation and Characteristics of Anatase-Type Titania Solid Solution Nanoparticles Doped with Nb5+ M (M = Ga3+, Al3+, Sc3+)

    NASA Astrophysics Data System (ADS)

    Hirano, Masanori; Ito, Takaharu

    2011-10-01

    Anatase-type titania solid solutions co-doped with Nb5+ and cation M (M = Ga3+, Al3+, Sc3+) with composition Ti1-2XNbXMXO2 were directly formed as nanoparticles from precursor solutions of TiOSO4, NbCl5, and metal salts (Ga(SO4)3, Al(NO3)3, and Sc(NO3)3) under mild hydrothermal conditions at 180 °C for 5 h using the hydrolysis of urea. The effect of co-doped cation M on the formation and properties of anatase-type titania solid solutions was investigated. The region of anatse-type solid solution depended on the co-doped cation M. The composition range of anatase-type titania solid solution in the case of M = Sc3+ was much wider than that in the case of M = Ga3+ and Al3+. The increase in the amount of co-doped cation M = Ga3+, Al3+ enhanced the crystallite growth of anatase solid solutions under the hydrothermal conditions. The solid solutions co-doped with M = Al3+ showed the most improved photocatalytic activity in the three cations. The anatase-to-rutile phase transformation of solid solutions was promoted at lower temperature via the presence of co-doped cation M = Ga3+.

  5. Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.

    PubMed

    Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano

    2013-09-28

    A variety of fairly air-stable complexes were prepared by straightforward reactions of NbX5 (X = F, Cl) with a series of potential bidentate (N,O)- and (O,O)-donor ligands in CH2Cl2. NbF5 reacted with equimolar amounts of 2-[(2,6-diisopropylphenyl)iminomethyl]phenol (dpimpH) and 2-benzoyl-6-hydroxy-6-phenylpentafulvene (bhpfH) to afford the mononuclear complexes NbF5[κ(1)(O)-OC6H4CH=NHC6H3(CHMe2)2], 2, and NbF5[κ(1)(O)-bhpfH], 7, respectively. The 1:1 reactions of NbF5 with salicylaldehyde oxime (saoH2) and 2-phenylaminoethanol gave the hexafluoroniobato salts [NbF4{κ(1)(O)-ON(H)=CHC6H4OH}2][NbF6], 3, and [NbF4{κ(1)(O)-OCH2CH2NH2Ph}2][NbF6], 6, respectively. The syntheses of 2, 3 and 6 are accompanied by oxygen to nitrogen intramolecular H migration, leading to the formation of metal-alkoxide moieties. The parallel chemistry of NbCl5 is characterised by HCl release. The 1:1 reactions with dpimpH, saoH2 and bhpfH yielded, respectively, the ionic complex [NbCl2{κ(1)(N):κ(1)(O)-dpimp}2][NbCl6], 4a, the neutral-dinuclear Nb2Cl7[κ(1)(O)-saoH][κ(2)(O)-sao], 5, and the mononuclear NbCl4[κ(2)(O)-bhpf], 8. The tantalum species [TaCl2{κ(1)(N):κ(1)(O)-dpimp}2][TaCl6], 4b, was prepared from TaCl5/dpimpH. The new products 2-8 were fully characterized by analytical and spectroscopic techniques. Moreover the solid state structures of 2 and 8 were ascertained by X-ray diffraction studies; the structure of 2 exhibits an intramolecular bifurcated N-H···(O,F) hydrogen bond. DFT calculations were carried out in order to predict the lowest energy structures in the distinct cases, showing generally good agreement with the experimental data. PMID:23873411

  6. Phase Stability and Electrical Conductivity of Ca-doped LaNb1-xTaxO4- high temperature proton conductors

    SciTech Connect

    Bi, Zhonghe; Kim, Jung-Hyun; Bridges, Craig A; Huq, Ashfia; Paranthaman, Mariappan Parans

    2011-01-01

    The electrical conductivity, phase structure and stability of La0.99Ca0.01Nb1-xTaxO4- (x=0, 0.1, 0.2, 0.3, 0.4 and 0.5, =0.005) a potential candidate for proton conductor for Solid Oxide Fuel Cells (SOFCs) have been investigated using AC impedance technique and in-situ X-ray powder diffraction. Partially substituting Nb with Ta elevates the phase transition temperature (from monoclinic to a tetragonal structure at high temperature) from ~520 C for x=0 to near 800 C for x=0.4. AC conductivity of the La0.99Ca0.01Nb1-xTaxO4- both in dry and wet air decreased slightly with increase of Ta content above 750 C, while below 500 C, it decreased one order of magnitude. It was also found that the activation energy for the total conductivity increases with increasing Ta content from 0.50 eV (x=0) to 0.58 eV (x=0.3) for the tetragonal phase, however, it decreases with increasing Ta content from 1.18 eV (x=0) to 1.08 eV (x=0.4) for the monoclinic phase. By removing the detrimental high temperature phase transition out of intermediate temperature range, partial substitution of Nb with Ta brings this class of material closer to its application in intermediate-temperature SOFCs.

  7. Mechanistic investigations of CO-photoextrusion and oxidative addition reactions of early transition-metal carbonyls: (η(5)-C5H5)M(CO)4 (M = V, Nb, Ta).

    PubMed

    Su, Shih-Hao; Su, Ming-Der

    2016-06-28

    The mechanisms for the photochemical Si-H bond activation reaction are studied theoretically using a model system of the group 5 organometallic compounds, η(5)-CpM(CO)4 (M = V, Nb, and Ta), with the M06-2X method and the Def2-SVPD basis set. Three types of reaction pathways that lead to final insertion products are identified. The structures of the intersystem crossings, which play a central role in these photo-activation reactions, are determined. The intermediates and transitional structures in either the singlet or triplet states are also calculated to provide a mechanistic explanation of the reaction pathways. All of the potential energy surfaces for the group 5 η(5)-CpM(CO)4 complexes are quite similar. In particular, the theoretical evidence suggests that after irradiation using light, η(5)-CpM(CO)4 quickly loses one CO ligand to yield two tricarbonyls, in either the singlet or the triplet states. The triplet tricarbonyl 16-electron intermediates, ([η(5)-CpM(CO)3](3)), play a key role in the formation of the final oxidative addition product, η(5)-CpM(CO)3(H)(SiMe3). However, the singlet counterparts, ([η(5)-CpM(CO)3](1)), play no role in the formation of the final product molecule, but their singlet metal centers interact weakly with solvent molecules ((Me3)SiH) to produce alkyl-solvated organometallic complexes, which are observable experimentally. This theoretical evidence is in accordance with the available experimental observations.

  8. Solid state {sup 31}P MAS NMR spectroscopy and conductivity measurements on NbOPO{sub 4} and H{sub 3}PO{sub 4} composite materials

    SciTech Connect

    Risskov Sørensen, Daniel; Nielsen, Ulla Gro; Skou, Eivind M.

    2014-11-15

    A systematic study of composite powders of niobium oxide phosphate (NbOPO{sub 4}) and phosphoric acid (H{sub 3}PO{sub 4}) has been performed in order to characterize the material's ability to perform as an electrolyte material in medium temperature fuel cells and electrolyzers. Powders of H{sub 3}PO{sub 4} contents between 13.1 and 74.2 M% were produced and characterized with powder X-ray diffraction, {sup 31}P MAS NMR and impedance spectroscopy. NMR revealed that a significant degree of dehydration and vaporization of H{sub 3}PO{sub 4} takes place above 200 °C, and increases with temperature. At 500 °C the NbOPO{sub 4} and H{sub 3}PO{sub 4} has reacted to form niobium pyrophosphate (Nb{sub 2}P{sub 4}O{sub 15}). Impedance spectroscopy showed an increase in conductivity with increasing acid concentration, whereas the conductivity decreased slightly with increasing temperature. The highest conductivity measured was 2.5·10{sup −3} S/cm for a sample containing 74.2 M% of H{sub 3}PO{sub 4}. Lastly, it was shown that NbOPO{sub 4} has no significant conductivity of its own. - Graphical abstract: Conductivity of NbOPO{sub 4}/H{sub 3}PO{sub 4} composites as a function of equivalent P{sub 2}O{sub 5} content. The conductivity is insignificant for pure NbOPO{sub 4}. - Highlights: • Composites have been made from NbOPO{sub 4} and H{sub 3}PO{sub 4}. • The composites composition has been investigated with solid state NMR. • The composites have shown clear signs of acid dehydration upon heating. • The conductivity of the composites increases for increasing acid content. • NbOPO{sub 4} has no significant conductivity of its own.

  9. Dielectric properties of Ba0.6Sr0.4TiO3-Sr(Ga0.5Ta0.5)O3 solid solutions.

    PubMed

    Xu, Yebin; Liu, Ting; He, Yanyan; Yuan, Xiao

    2008-11-01

    Ba(0.6)Sr(0.4)TiO(3)-Sr(Ga(0.5)Ta(0.5))O(3) solid solutions are prepared by a solid-state reaction method, and their dielectric and tunable characteristics are investigated. The solid solutions with cubic perovskite structures are obtained for compositions of 10-50 mol% Sr(Ga(0.5)Ta(0.5))O(3). It is observed that the addition of Sr(Ga(0.5)Ta(0.5))O(3) into Ba(0.6)Sr(0.4)TiO(3) causes a shift in the phase transition peak to a lower temperature. Ba(0.6)Sr(0.4)TiO(3)-Sr(Ga(0.5)Ta(0.5))O(3) solid solutions exhibit depressed and broadened phase transition peaks, resulting in decreased dielectric constants and dielectric losses at room temperature. With the increase of Sr(Ga(0.5)Ta(0.5))O(3) content, the dielectric constant, loss tangent, and tunability are decreased. 0.9Ba(0.6)Sr(0.4)TiO(3)-0.1Sr(Ga(0.5)Ta(0.5))O(3) has a dielectric constant epsilon = 534 and a tunability of 16% at 100 kHz under 2.63 kV/mm. The dielectric characteristics of Ba(0.6)Sr(0.4)TiO(3)-Sr(Ga(0.5)Ta(0.5))O(3) ceramics at microwave frequencies are also evaluated.

  10. Dielectric characteristics of fast Li ion conducting garnet-type Li5+2xLa3Nb2-xYxO12 (x = 0.25, 0.5 and 0.75).

    PubMed

    Narayanan, Sumaletha; Baral, Ashok Kumar; Thangadurai, Venkataraman

    2016-06-01

    Here, we report the dielectric characteristics of Li-stuffed garnet-type Li5+2xLa3Nb2-xYxO12 (x = 0.25, 0.5 and 0.75) in the temperature range about -53 to 50 °C using AC impedance spectroscopy. All the investigated Li-stuffed garnet compounds were prepared, under the same condition, using conventional solid-state reaction at elevated temperature in air. The Nyquist plots show mainly bulk contribution to the total Li(+) ion conductivity for Li5.5La3Nb1.75Y0.25O12 (Li5.5-Nb) and Li6La3Nb1.5Y0.5O12 (Li6-Nb), while both bulk and grain-boundary effects are visible in the case of Li6.5La3Nb1.25Y0.75O12 (Li6.5-Nb) phase at ∼-22 °C. Non-Debye relaxation process was observed in the modulus AC impedance plots. The dielectric loss tangent of Li5+2xLa3Nb2-xYxO12 are compared with that of the corresponding Ta analogue, Li5+2xLa3Ta2-xYxO12 and showed a decrease in peak intensity for the Nb-based garnet samples which may be attributed to a slight increase in their Li(+) ion conductivity. The relative dielectric constant values were also found to be higher for the Ta member (>60 for Li5+2xLa3Ta2-xYxO12) than that of the corresponding Nb analogue (∼50 for Li5+2xLa3Nb2-xYxO12) at below room temperature. A long-range order Li(+) ion migration pathway with relaxation time (τ0) 10(-18)-10(-15) s and an activation energy of 0.59-0.40 eV was observed for the investigated Li5+2xLa3Nb2-xYxO12 garnets and is comparable to that of the corresponding Ta-based Li5+2xLa3Ta2-xYxO12 garnets.

  11. Achieving high capacity in bulk-type solid-state lithium ion battery based on Li6.75La3Zr1.75Ta0.25O12 electrolyte: Interfacial resistance

    NASA Astrophysics Data System (ADS)

    Liu, Ting; Ren, Yaoyu; Shen, Yang; Zhao, Shi-Xi; Lin, Yuanhua; Nan, Ce-Wen

    2016-08-01

    A bulk-type all-solid-state lithium ion battery based on Ta-doped Li6.75La3Zr1.75Ta0.25O12 (LLZ-Ta) is prepared by a simple solid state process with high capacity of 279.0 μAh cm-2 at 80 °C. However, severe polarization is discovered during charging/discharging cycles at room temperature (RT) for battery with a higher active cathode loading. Large interfacial resistance due to the poor contact at the interfaces between cathode and LLZ-Ta solid electrolyte and at the interfaces within the composite cathode layer is proven to be the main reason for the poor electrochemical performance of the battery at RT. The polarization could be suppressed at elevated temperature, which is attributed to the decreased interfacial resistance as indicated by the results of impedance measurements and gives rise to much enhanced performance of the all-solid-state battery.

  12. Achieving high capacity in bulk-type solid-state lithium ion battery based on Li6.75La3Zr1.75Ta0.25O12 electrolyte: Interfacial resistance

    NASA Astrophysics Data System (ADS)

    Liu, Ting; Ren, Yaoyu; Shen, Yang; Zhao, Shi-Xi; Lin, Yuanhua; Nan, Ce-Wen

    2016-08-01

    A bulk-type all-solid-state lithium ion battery based on Ta-doped Li6.75La3Zr1.75Ta0.25O12 (LLZ-Ta) is prepared by a simple solid state process with high capacity of 279.0 μAh cm-2 at 80 °C. However, severe polarization is discovered during charging/discharging cycles at room temperature (RT) for battery with a higher active cathode loading. Large interfacial resistance due to the poor contact at the interfaces between cathode and LLZ-Ta solid electrolyte and at the interfaces within the composite cathode layer is proven to be the main reason for the poor electrochemical performance of the battery at RT. The polarization could be suppressed at elevated temperature, which is attributed to the decreased interfacial resistance as indicated by the results of impedance measurements and gives rise to much enhanced performance of the all-solid-state battery.

  13. Synthesis and characterization of Ti{sub 1-2} {sub x} Nb {sub x} Ni {sub x} O{sub 2-} {sub x} {sub /2} solid solutions

    SciTech Connect

    Martos, Monica Julian, Beatriz Dehouli, Hakim; Gourier, Didier Cordoncillo, Eloisa Escribano, Purificacion

    2007-02-15

    Doped-rutile has been traditionally used in ceramic pigments for its intense optical properties. In this paper, we compare the classical ceramic synthesis of Ti{sub 1-2} {sub x} Nb {sub x} Ni {sub x} O{sub 2-} {sub x} {sub /2} system with the sol-gel methodology, which allows a reduction of the anatase-rutile transformation temperature. The composition was optimised in order to obtain a unique rutile phase with the minimum amount of pollutant Ni(II) and enhanced chromatic coordinates. Incorporation of the doping ions in the rutile structure was corroborated by XRD and Rietveld refinements. The species responsible for the colour mechanism were studied by different techniques. UV-VIS spectroscopy showed the characteristic features of Ni{sup 2+} ions, whose existence was corroborated by EPR and magnetic measurements. From these results, (Ni,Nb)doped-TiO{sub 2} powder samples can be now shaped as thin films, monoliths, etc. by using sol-gel methodology without modifying their properties. This study introduces new possibilities of coloured TiO{sub 2}-based solid solutions in new combined advanced applications (colouring agent and photocatalyst, etc.). - Graphical abstract: The synthesis and characterization of the Ti{sub 1-2} {sub x} Nb {sub x} Ni {sub x} O{sub 2-} {sub x} {sub /2} system prepared by traditional solid-state and sol-gel methodologies is reported. The incorporation of the doping ions in the rutile structure by Rietveld refinements and the magnetic response are discussed. The similarity found by both procedures introduces new possibilities of coloured TiO{sub 2}-based solid solutions.

  14. Simulation of solidly mounted plate wave resonator with wide bandwidth using 0-th shear horizontal mode in LiNbO3 plate

    NASA Astrophysics Data System (ADS)

    Kadota, Michio; Tanaka, Shuji

    2015-07-01

    A cognitive radio system using a vacant frequency band of digital TV channels (TV white space) requires a tunable filter with wide tunable ranges of center frequency and bandwidth. An ultra-wideband resonator is a key device to implement the tunable filter, because the tunable range is limited by the bandwidth (BW) of the resonators. A 0-th shear horizontal (SH0) mode plate wave resonator using an ultra-thin LiNbO3 plate is known to have a large electromechanical coupling factor, i.e., a large BW, but the structural fragility of the ultra-thin LiNbO3 plate is problematic. In this study, the feasibility of solidly mounted resonator type SH0 mode plate wave resonator was investigated systematically by finite element method simulation. The design parameters including the Euler angle, thickness of a LiNbO3 plate, and the material and thickness of an interdigital transducer were optimized. With the best design, a BW as wide as 26% is obtained.

  15. Breakdown of the Hume-Rothery rules in sub-nanometer-sized Ta-containing bimetallic small clusters.

    PubMed

    Miyajima, Ken; Fukushima, Naoya; Himeno, Hidenori; Yamada, Akira; Mafuné, Fumitaka

    2009-12-01

    The Hume-Rothery rules are empirical rules to predict the solid solubility of metals. We examined whether the rules hold for sub-nanometer-sized small particles. We prepared bimetallic cluster ions in the gas phase by a double laser ablation technique. Taking advantage of the magic compositions of the bimetallic cluster ions relating to the distinguished stabilities, the coalescence or the segregation of Ta and another element in the sub-nanometer-sized clusters was discussed. It was found that W, Nb, and Mo readily coalesce with Ta, while Ag, Al, Au, Co, Cu, Fe, Hf, Ni, Pt, Ti, and V are segregated from Ta. On the basis of these results, we concluded that the Hume-Rothery rules do not hold for sub-nanometer-sized particles. PMID:19894706

  16. Breakdown of the Hume-Rothery rules in sub-nanometer-sized Ta-containing bimetallic small clusters.

    PubMed

    Miyajima, Ken; Fukushima, Naoya; Himeno, Hidenori; Yamada, Akira; Mafuné, Fumitaka

    2009-12-01

    The Hume-Rothery rules are empirical rules to predict the solid solubility of metals. We examined whether the rules hold for sub-nanometer-sized small particles. We prepared bimetallic cluster ions in the gas phase by a double laser ablation technique. Taking advantage of the magic compositions of the bimetallic cluster ions relating to the distinguished stabilities, the coalescence or the segregation of Ta and another element in the sub-nanometer-sized clusters was discussed. It was found that W, Nb, and Mo readily coalesce with Ta, while Ag, Al, Au, Co, Cu, Fe, Hf, Ni, Pt, Ti, and V are segregated from Ta. On the basis of these results, we concluded that the Hume-Rothery rules do not hold for sub-nanometer-sized particles.

  17. Dielectric spectroscopy of Pb1- x Ba x (Mg1/3Nb2/3) m (Zn1/3Nb2/3) y (Ni1/3Nb2/3) n Ti z O3 solid solutions in a wide temperature interval

    NASA Astrophysics Data System (ADS)

    Talanov, M. V.; Kubrin, S. P.; Pavelko, A. A.; Reznichenko, L. A.

    2016-06-01

    The dielectric spectra of Pb1- x Ba x (Mg1/3Nb2/3) m (Zn1/3Nb2/3) y (Ni1/3Nb2/3) n Ti z O3 ( x = 0-0.15, m = 0.4541, y = 0.0982, n = 0.1477, and z = 0.3) ceramic samples have been studied in wide intervals of temperature (10-873 K) and frequency of the measurement electric field (0.1-1000 kHz). It has been found that an increase in the Ba2+( x) content leads to a reduction in the phase transition temperature (from 418 K at x = 0 to 256 K at x = 0.15), to the transition from the normal ferroelectric state to the relaxor ferroelectric one (at x ≥ 0.025), and to the disappearance of temperature hysteresis of dependences of the relative dielectric permittivity. It has been hypothesized that a tricritical point is present near x ˜ 0.125 in the x-T phase diagram of the studied solid solutions.

  18. Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, PbZrO3 and BaZrO3 (001), (011) and (111) surfaces as well as F centers, polarons, KTN solid solutions and Nb impurities therein

    NASA Astrophysics Data System (ADS)

    Eglitis, R. I.

    2014-03-01

    In this paper, the review of recent results of calculations of surface relaxations, energetics, and bonding properties for ABO3 perovskite (001), (011) and (111) surfaces using mostly a hybrid description of exchange and correlation is presented. Both AO and BO2-terminations of the nonpolar (001) surface and A, BO, and O terminations of the polar (011) surface, as well as B and AO3-terminations of the polar (111) surface were considered. On the AO-terminated (001) surface, all upper-layer A atoms relax inwards, while all second layer atoms relax outwards. For the BO2-terminated (001) surface, in most cases, the largest relaxations are on the second-layer metal atoms. For almost all ABO3 perovskites, the surface rumpling is much larger for the AO-terminated than for the BO2-terminated (001) surface, but their surface energies are always quite similar. In contrast, different terminations of the (011) ABO3 surface lead to very different surface energies for the O-terminated, A-terminated, and BO-terminated (011) surface, respectively. A considerable increase in the Ti-O or Zr-O, respectively, chemical bond covalency near the (011) surface as compared both to the bulk and to the (001) surface in ABO3 perovskites were predicted. According to the results of ab initio calculations for Nb doped SrTiO3, Nb is a shallow donor; six nearest O ions are slightly displaced outwards from the Nb ion. The F center in ABO3 perovskites resembles electron defects in the partially-covalent SiO2 crystal rather than usual F centers in ionic crystals like MgO and alkali halides. The results of calculations for several perovskite KNbxTa1-xO3 (KTN) solid solutions, as well as hole and electron polarons in ABO3 perovskites are analyzed.

  19. Multi-component solid solution alloys having high mixing entropy

    SciTech Connect

    Bei, Hongbin

    2015-10-06

    A multi-component high-entropy alloy includes a composition selected from the following group: VNbTaTiMoWRe, VNbTaTiMoW, VNbTaTiMoRe, VNbTaTiWRe, VNbTaMoWRe, VNbTiMoWRe, VTaTiMoWRe, NbTaTiMoWRe, VNbTaTiMo, VNbTaTiW, VNbTaMoW, VNbTiMoW, VTaTiMoW, NbTaTiMoW, VNbTaTiRe, VNbTaMoRe, VNbTiMoRe, VTaTiMoRe, NbTaTiMoRe, VNbTaWRe, VNbTiWRe, VTaTiWRe, NbTaTiWRe, VNbMoWRe, VTaMoWRe, NbTaMoWRe, VTiMoWRe, NbTiMoWRe, TaTiMoWRe, wherein relative amounts of each element vary by no more than .+-.15 atomic %.

  20. Onset of itinerant ferromagnetism associated with semiconductor-metal transition in TixNb1-xCoSn half Heusler solid solution com- pounds

    NASA Astrophysics Data System (ADS)

    Kouacou, M. A.; Koua, A. A.; Zoueu, J. T.; Konan, K.; Pierre, J.

    2008-07-01

    In this paper, the magnetic and transport properties of the Ti_{x}Nb_{1-x}CoSn solid solution compounds with half Heusler cubic MgAgAs-type structure have been studied. This work shows the onset of ferromagnetism associated with a semiconductor to metal transition. The transition occurs directly from ferromagnetic metal to semiconducting state as it is the case in the TiCo_{x}Ni_{1-x}Sn series studied previously. A weak quantity of Ti in NbCoSn is sufficient to allow the appearance of ferromagnetic order and metallic state. The variations of the Curie temperature as a function of saturation and effective paramagnetic moments are related to the itinerant ferromagnetism model. A comparison is made with the TiCoSn_{x}Sb_{1-x} series (also studied previously), where the transition from TiCoSn ferromagnetic metal to non-magnetic semiconductor TiCoSb occurs through an intermediate metallic Pauli-like state.

  1. Structure and dielectric properties of solid solutions Bi7Ti4 + x W x Nb1 - 2 x O21 ( x = 0-0.5)

    NASA Astrophysics Data System (ADS)

    Vlasenko, V. G.; Zubkov, S. V.; Shuvaeva, V. A.

    2015-05-01

    The structural and electrophysical characteristics of a series of solid solutions of layered perovskite-type oxides Bi7Ti4 + x W x Nb1 - 2 x O21 ( x = 0-0.5) have been investigated. According to X-ray powder dif- fraction data, all the studied compounds are single-phase and have the structure of Aurivillius phases ( m = 2.5) with an orthorhombic crystal lattice (space group I2 cm, Z = 2). The changes in the tetragonal and orthorhombic distortions of perovskite-like layers in the compounds have been considered depending on their chemical composition. The temperature dependences of the relative permittivity ɛ( T) have been measured. It has been shown that the Curie temperature T C of the perovskite-type oxides Bi7Ti4 + x W x Nb1 - 2 x O21 ( x = 0-0.5) decreases linearly with an increase in the parameter x. The activation energies of charge carriers have been obtained in different temperature ranges. It has been found that there are three temperature regions with very different activation energies due to different natures of charge carriers in the studied compounds.

  2. The contribution of amphibole from deep arc crust to the silicate Earth's Nb budget

    NASA Astrophysics Data System (ADS)

    Tiepolo, Massimo; Vannucci, Riccardo

    2014-11-01

    The continental crust (CC) and the depleted mantle (DM) are generally assumed to be complementary reservoirs within the Earth. However, the mixture between CC and upper mantle does not generate the Nb/Ta and Nb/La ratios of chondrites. A reservoir with superchondritic ratios for Nb/Ta and Nb/La is thus required in the Earth's system. The occurrence of a hidden amphibole reservoir in the lower arc crust has been recently proposed. This, coupled with the capability of calcic amphibole to give rise to a superchondritic Nb/Ta and Nb/La reservoir, led us to determine to what extent amphibole-rich ultramafic rocks can account for the Nb (and Nb/Ta, Nb/La as well) imbalance on Earth. We have considered lower crust mafic and ultramafic amphibole-rich intrusive rocks from collisional settings worldwide. Because CC is considered to have primarily formed in collisional setting these rocks are important for its genetic model. We modeled Nb, Ta and La contents of the hidden Nb reservoir by mass balance calculations between continental crust, depleted mantle and primitive mantle. Modeling shows that amphibole-rich mafic lower crust can solve the so-called Nb paradox if large volumes of materials are supposed to be returned into the mantle during the Earth's history. A possible mechanism is recycling, particularly in Precambrian times, of eclogites that underwent pre-eclogitic melting in the amphibolite facies field and then recrystallized under eclogite-facies conditions.

  3. A-site- and/or B-site-modified PbZrTiO3 materials and (Pb, Sr, Ca, Ba, Mg) (Zr, Ti, Nb, Ta)O3 films having utility in ferroelectric random access memories and high performance thin film microactuators

    NASA Technical Reports Server (NTRS)

    Roeder, Jeffrey F. (Inventor); Chen, Ing-Shin (Inventor); Bilodeau, Steven (Inventor); Baum, Thomas H. (Inventor)

    2001-01-01

    A modified PbZrTiO.sub.3 perovskite crystal material thin film, wherein the PbZrTiO.sub.3 perovskite crystal material includes crystal lattice A-sites and B-sites at least one of which is modified by the presence of a substituent selected from the group consisting of (i) A-site substituents consisting of Sr, Ca, Ba and Mg, and (ii) B-site substituents selected from the group consisting of Nb and Ta. The perovskite crystal thin film material may be formed by liquid delivery MOCVD from metalorganic precursors of the metal components of the thin film, to form PZT and PSZT, and other piezoelectric and ferroelectric thin film materials. The thin films of the invention have utility in non-volatile ferroelectric memory devices (NV-FeRAMs), and in microelectromechanical systems (MEMS) as sensor and/or actuator elements, e.g., high speed digital system actuators requiring low input power levels.

  4. Texture in state-of-the-art Nb3Sn multifilamentary superconducting wires

    NASA Astrophysics Data System (ADS)

    Scheuerlein, C.; Arnau, G.; Alknes, P.; Jimenez, N.; Bordini, B.; Ballarino, A.; Di Michiel, M.; Thilly, L.; Besara, T.; Siegrist, T.

    2014-02-01

    The texture of Nb3Sn in recent multifilamentary composite wires has been studied by neutron diffraction, synchrotron x-ray diffraction and electron backscatter diffraction. In powder-in-tube (PIT) type superconductors the Nb precursor filaments exhibit a strong <110> fiber texture as a consequence of the severe cold drawing process, and a <110> texture is also observed in the Nb3Sn. In the Nb-Ta precursor of the restacked rod process (RRP) strand there is an additional texture component, and in both Ta-alloyed and Ti-alloyed RRP type conductors the Nb3Sn grains grow with a preferential <100> orientation.

  5. Strategy for stabilization of the antiferroelectric phase (Pbma) over the metastable ferroelectric phase (P21ma) to establish double loop hysteresis in lead-free (1-x)NaNbO3-xSrZrO3 solid solution

    NASA Astrophysics Data System (ADS)

    Guo, Hanzheng; Shimizu, Hiroyuki; Mizuno, Youichi; Randall, Clive A.

    2015-06-01

    A new lead-free antiferroelectric solid solution system, (1-x)NaNbO3-xSrZrO3, was rationalized through noting the crystal chemistry trend, of decreasing the tolerance factor and an increase in the average electronegativity of the system. The SrZrO3 doping was found to effectively stabilize the antiferroelectric (P) phase in NaNbO3 without changing its crystal symmetry. Preliminary electron diffraction and polarization measurements were presented which verified the enhanced antiferroelectricity. In view of our recent report of another lead-free antiferroelectric system (1-x)NaNbO3-xCaZrO3 [H. Shimizu et al. "Lead-free antiferroelectric: xCaZrO3 - (1-x)NaNbO3 system (0 ≤ x ≤ 0.10)," Dalton Trans. (published online)], the present results point to a general strategy of utilizing tolerance factor to develop a broad family of new lead-free antiferroelectrics with double polarization hysteresis loops. We also speculate on a broad family of possible solid solutions that could be identified and tested for this important type of dielectric.

  6. Synthesis of layered perovskite oxides, ACa[sub 2-x]La[sub x]Nb[sub 3-x]Ti[sub x]O[sub 10] (A = K, Rb, Cs), and characterization of new solid acids, HCa[sub 2-x]La[sub x]Nb[sub 3-x]Ti[sub x]O[sub 10] (O < x [le] 2), exhibiting variable Bronsted acidity

    SciTech Connect

    Gopalakrishnan, J.; Uma, S.; Bhat, V. )

    1993-01-01

    Layered perovskite oxides of the formula ACa[sub 2-x]La[sub x]Nb[sub 3-x]Ti[sub x]O[sub 10] (A = K, Rb, Cs and 0 , x [le] 2) have been prepared. The members adopt the structures of the parent ACa[sub 2]Nb[sub 3]O[sub 10]. Interlayer alkali cations in the niobium-titanium oxide series can be ion-exchanged with Li[sup +], Na[sup +], NG[sub 4][sup +], of H[sup +] to give new derivatives. Intercalation of the protonated derivatives with organic bases reveals that the Bronsted acidity of the solid solution series, HCa[sub 2-x]La[sub x]Nb[sub 3-x]Ti[sub x]O[sub 10], depends on the titanium content. While the x = 1 member (HCaLaNb[sub 2]TiO[sub 10]) is nearly as acidic as the parent HCa[sub 2]Nb[sub 3]O[sub 10], the x = 2 member (HLA[sub 2]NbTi[sub 2]O[sub 10]) is a weak acid hardly intercalating organic bases with pK[sub a] [approximately] 11.3. The variation of acidity is probably due to an ordering of Nb/Ti atoms in the triple octahedral perovskite slabs, [Ca[sub 2-x]La[sub x]Nb[sub 3-x]Ti[sub x]O[sub 10

  7. Graphene-Modified Interface Controls Transition from VCM to ECM Switching Modes in Ta/TaOx Based Memristive Devices.

    PubMed

    Lübben, Michael; Karakolis, Panagiotis; Ioannou-Sougleridis, Vassilios; Normand, Pascal; Dimitrakis, Panagiotis; Valov, Ilia

    2015-10-28

    By modification of the electrode-solid-electrolyte interface with graphene, transit from valence change memories (VCM) to electrochemical metallization memories (ECM) in the cell Ta(C)/Ta2 O5 /Pt is demonstrated, thus, bridging both mechanisms. The ECM operation is discussed in the light of Ta-cation mobility in TaOx . The crucial role of electrochemical processes and moisture in the resistive switching process is also highlighted.

  8. The solid state structure and reactivity of NbCl(5) x (N,N'-dicyclohexylurea) in solution: evidence for co-ordinated urea dehydration to the relevant carbodiimide.

    PubMed

    Aresta, Michele; Dibenedetto, Angela; Stufano, Paolo; Aresta, Brunella Maria; Maggi, Sabino; Pápai, Imre; Rokob, Tibor András; Gabriele, Bartolo

    2010-08-14

    NbCl(5) x (N,N'-dicyclohexylurea) 1a owns a distorted octahedral structure due to intramolecular NH...Cl bonding. The unit cell contains four units which are intermolecularly NH...Cl and NH...N bonded. An extended intramolecular network of H-bonding (N-H...Cl, CH...Cl, CH...N) causes the 3D self assembling of the units. Upon addition of base, the HCl release from 1a is observed with the transfer to Nb of the O-atom of the carbonylic function of the starting urea which is converted into the relevant carbodiimide CyN=C=NCy 4. The latter is quantitatively released by adding an excess of NEt(3) at 308 K (py and DBU are less efficient) with formation of the known NbOCl(3)(NEt(3))(2), isolated in quantitative yield. Increasing the temperature leads to a loss in selectivity as the formed DCC undergoes further reactions. At 350 K, the isocyanate CyN=C=O has been isolated in 60% yield besides a mixture of Nb-complexes. DFT calculations have been coupled to IR and NMR experiments for characterizing possible reaction intermediates and the behaviour of 1a. Several other MCl(x) species (ScCl(3), YCl(3), LaCl(3), TiCl(4), TaCl(5), AlCl(3), SnCl(4)) have been shown to be able to co-ordinate DCU but not all of them promote the conversion of urea into DCC. PMID:20544121

  9. Development of Ta-based Superconducting Tunnel Junction X-ray Detectors for Fluorescence XAS

    SciTech Connect

    Friedrich, S; Drury, O; Hall, J; Cantor, R

    2009-09-23

    We are developing superconducting tunnel junction (STJ) soft X-ray detectors for chemical analysis of dilute samples by fluorescence-detected X-ray absorption spectroscopy (XAS). Our 36-pixel Nb-based STJ spectrometer covers a solid angle {Omega}/4{pi} {approx} 10{sup -3}, offers an energy resolution of {approx}10-20 eV FWHM for energies up to {approx}1 keV, and can be operated at total count rates of {approx}10{sup 6} counts/s. For increased quantum efficiency and cleaner response function, we have now started the development of Ta-based STJ detector arrays. Initial devices modeled after our Nb-based STJs have an energy resolution below 10 eV FWHM for X-ray energies below 1 keV, and pulse rise time discrimination can be used to improve their response function for energies up to several keV. We discuss the performance of the Ta-STJs and outline steps towards the next-generation of large STJ detector arrays with higher sensitivity.

  10. Development of Ta-based Superconducting Tunnel Junction X-ray Detectors for Fluorescence XAS

    SciTech Connect

    Friedrich, Stephan; Drury, Owen B.; Hall, John; Cantor, Robin

    2010-06-23

    We are developing superconducting tunnel junction (STJ) soft X-ray detectors for chemical analysis of dilute samples by fluorescence-detected X-ray absorption spectroscopy (XAS). Our 36-pixel Nb-based STJ spectrometer covers a solid angle {Omega}/4{pi}{approx_equal}10{sup -3}, offers an energy resolution of {approx}10-20 eV FWHM for energies up to {approx}1 keV, and can be operated at total count rates of {approx}10{sup 6} counts/s. For increased quantum efficiency and cleaner response function, we have now started the development of Ta-based STJ detector arrays. Initial devices modeled after our Nb-based STJs have an energy resolution below 10 eV FWHM for X-ray energies below 1 keV, and pulse rise time discrimination can be used to improve their response function for energies up to several keV. We discuss the performance of the Ta-STJs and outline steps towards the next-generation of large STJ detector arrays with higher sensitivity.

  11. Mechanical alloying of nb-al powders

    NASA Astrophysics Data System (ADS)

    Peng, Zhixue; Suryanarayana, C.; Froes, F. H. (Sam)

    1996-01-01

    The effect of mechanical alloying (MA) on solid solubility extension, nanostructure formation, amorphization, intermetallic compound formation, and the occurrence of a face-centered cubic (fcc) phase in the Nb-Al system has been studied. Solid solubility extension was observed in both the terminal compositions and intermetallic compounds: 15 pct Nb in Al and 60 pct Al in Nb, well beyond the equilibrium and even rapid solidification levels (2.4 pct Nb and 25 pct Al, respectively) and increased homogeneity range for the NbAl3 phase. Nanostructured grains formed in all compositions. In the central part of the phase diagram, amorphization occurred predominantly. Only NbAl3, the most stable intermetallic, formed during MA; in most cases, a subsequent anneal was required. On long milling time, an fcc phase, probably a nitride, formed as a result of contamination from the ambient atmosphere.

  12. Mechanical alloying of Nb-Al powders

    SciTech Connect

    Peng, Z.; Suryanarayana, C.; Froes, F.H.

    1996-01-01

    The effect of mechanical alloying (MA) on solid solubility extension, nanostructure formation, amorphization, intermetallic compound formation, and the occurrence of a face-centered cubic (fcc) phase in the Nb-Al system has been studied. Solid solubility extension was observed in both the terminal compositions and intermetallic compounds: 15 pct Nb in Al and 60 pct Al in Nb, well beyond the equilibrium and even rapid solidification levels (2.4 pct Nb and 25 pct Al, respectively) and increased homogeneity range for the NbAl{sub 3} phase. Nanostructured grains formed in all compositions. In the central part of the phase diagram, amorphization occurred predominantly. Only NbAl{sub 3}, the most stable intermetallic, formed during MA; in most cases, a subsequent anneal was required. On long milling time, an fcc phase, probably a nitride, formed as a result of contamination from the ambient atmosphere.

  13. Quench tests of Nb3Al small racetrack magnets

    SciTech Connect

    Yamada, R.; Kikuchi, A.; Tartaglia, Michael Albert; Ambrosio, G.; Andreev, N.; Barzi, E.; Carcagno, R.; Feher, S.; Kashikhin, V.V.; Kotelnikov, S.; Lamm, Michael J.; /Fermilab /NIMC, Tsukuba /KEK, Tsukuba

    2007-08-01

    Two Cu stabilized Nb3Al strands, F1 (Nb matrixed) and F3 (Ta matrixed), have been made at NIMS and their Rutherford cables were made at Fermilab in collaboration with NIMS. A Small Race-track magnet using F1 Rutherford cable, the first Nb3Al dipole magnet in the world, was constructed and tested to full current at Fermilab. This magnet was tested extensively to full short sample data and its quench characteristics were studied and reported. The 3-D magnetic field calculation was done with ANSYS to find the peak field. The quench characteristics of the magnet are explained with the characteristics of the Nb3Al strand and Rutherford cable. The other Small Race-track magnet using Ta matrixed F3 strand was constructed and will be tested in the near future. The advantages and disadvantages of these Nb3Al cables are discussed.

  14. Microstructural and weldability evaluation of 310TaN

    SciTech Connect

    Lundin, C.D.; Qiao, C.Y.P.; Swindeman, R.W.

    1996-08-01

    Excellent weldability and good microstructural stability of 310TaN, in terms of the formation and growth of secondary phases at elevated temperature, was revealed in this investigation. The interganular stress corrosion resistance of 310TaN is superior to modified 800H and 310HCbN evaluated previously due to the fact that TaC, TaN and Ta(C,N) particles are more stable compared to Nb-rich or Ti-rich carbides, nitrides and carbonitrides presented in the other advanced alloys. Using resistance spot welding technique for which extremely fast cooling is a characteristic, it was found that a very minor amount of gain boundary liquation takes place during welding thermal cycling. The limited grain boundary liquation is of the eutectic type i.e., a low tendency to weld HAZ hot cracking.

  15. Development of Ta-based STJ X-ray Detector Arrays for Synchrotron Science

    NASA Astrophysics Data System (ADS)

    Carpenter, M. H.; Friedrich, S.; Hall, J. A.; Harris, J.; Cantor, R.

    2014-08-01

    We are developing a cryogen-free Ta-based superconducting tunnel junction (STJ) detector for soft X-ray spectroscopy at synchrotrons. With an energy resolution 10 times higher than conventional solid-state X-ray detectors and count-rate capabilities above 5 kHz/pixel, STJ detectors offer potentially increased sensitivity for fluorescence-yield X-ray absorption spectroscopy (FY-XAS). We have developed 36-pixel arrays of 208 208 m Ta STJs with an energy resolution of 9 eV FWHM at the 525 eV oxygen K line. Compared to earlier Nb-based STJs, Ta-STJs offer improved energy resolution and absorption efficiency and extend the operating range to several keV. Here we describe the integration of the 36-pixel arrays into a cryogen-free, user-friendly X-ray spectrometer. A computer-controlled adiabatic demagnetization refrigerator coupled to a two-stage pulse tube refrigerator allows operation below 100 mK. The detector chip is located at the end of a 42 cm shielded snout for insertion into the analysis chamber. The system is currently being commissioned at the Advanced Light Source synchrotron.

  16. The reactivity of 1,1-dialkoxyalkanes with niobium and tantalum pentahalides. Formation of coordination compounds, C-H and C-C bond activation and the X-ray structure of the stable carboxonium species [Me(2)C=CHC(=OMe)Me][NbCl(5)(OMe)].

    PubMed

    Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano

    2009-10-14

    The reactions of the pentahalides NbX5 (X = Cl, Br) with the 1,1-dialkoxyalkanes CHR'(OEt)2 or 1,3-dioxolane yield the coordination adducts NbX5[kappa1-(OEt)CHR'(OEt)] (X = Cl, R' = H, 2a; X = Br, R' = H, 2b; X = Cl, R' = Me, 2c; X = Br, R' = Me, 2d) or NbCl5(kappa1-right angle OCH2OCH2C right angle H2), 3, respectively. Compounds 2a-c and 3 are stable at room temperature, while 2d slowly converts into the alkoxide NbBr4[OCH(Me)OEt], 4. Room-temperature fragmentations are observed upon reacting CH2(OMe)2, CHMe(OMe)2 and CMe2(OMe)2 with MX5 (M = Nb, Ta; X = Cl, Br). The complexes MX5[O(Me)(CH2X)], 5, and [MX3(OMe)2]2, 6, form selectively from MX5/CH2(OMe)2 (M = Nb, Ta; X = Cl, Br), while mixtures of [NbX4(OMe)]2 (X = Cl, 8a; X = Br, 8b) and organic halides are obtained from NbX5/CHMe(OMe)2. Instead, the reaction of NbCl5 with CMe2(OMe)2 affords the stable carboxonium species [Me2C=CHC(=OMe)Me][NbCl5(OMe)], 7, as prevalent product. Furthermore, 1,1-dialkoxyalkanes are generally activated by MF5 (M = Nb, Ta) at room temperature: according to the cases, alcohols, ethers, esters and ketones have been detected in the reaction mixtures after hydrolysis. In agreement with NMR data, the carboxonium ion [Me2C=CHC(=OMe)Me]+ is produced from NbF5/CMe2(OMe)2. The complexes NbF5[OEt(Me)], 9a, and NbF5[O=CH(OEt)], 9b, obtained by addition of CH2(OEt)2 to NbF5, have been characterised by NMR spectroscopy. Trimethyl formate, CH(OMe)3, reacts with NbX5 (X = Cl, Br) with formation of the alkoxides 6 and 8, in admixture with NbX5[O=CH(OMe)] and MeX; otherwise, MF5[O=CH(OMe)] and MF5(OMe2) have been synthesised from MF5/CH(OMe)3 (M = Nb, Ta). Complete screening of the organic fragments produced in the distinct reactions has been carried out by both GC-MS and NMR analyses on the reaction mixtures, after treatment with water. The solid state structures of the mixed halo-alkoxy complexes [TaX3(OMe)(mu-OMe)]2 (X = Cl, 6c; X = Br, 6d) and of the stable alkylated ketone containing species 7

  17. Multinuclear Solid-State NMR Investigation of Hexaniobate and Hexatantalate Compounds.

    PubMed

    Deblonde, Gauthier J-P; Coelho-Diogo, Cristina; Chagnes, Alexandre; Cote, Gérard; Smith, Mark E; Hanna, John V; Iuga, Dinu; Bonhomme, Christian

    2016-06-20

    This work determines the potential of solid-state NMR techniques to probe proton, alkali, and niobium environments in Lindqvist salts. Na7HNb6O19·15H2O (1), K8Nb6O19·16H2O (2), and Na8Ta6O19·24.5H2O (3) have been studied by solid-state static and magic angle spinning (MAS) NMR at high and ultrahigh magnetic field (16.4 and 19.9 T). (1)H MAS NMR was found to be a convenient and straightforward tool to discriminate between protonated and nonprotonated clusters AxH8-xM6O19·nH2O (A = alkali ion; M = Nb, Ta). (93)Nb MAS NMR studies at different fields and MAS rotation frequencies have been performed on 1. For the first time, the contributions of NbO5Oμ2H sites were clearly distinguished from those assigned to NbO6 sites in the hexaniobate cluster. The strong broadening of the resonances obtained under MAS was interpreted by combining chemical shift anisotropy (CSA) with quadrupolar effects and by using extensive fitting of the line shapes. In order to obtain the highest accuracy for all NMR parameters (CSA and quadrupolar), (93)Nb WURST QCPMG spectra in the static mode were recorded at 16.4 T for sample 1. The (93)Nb NMR spectra were interpreted in connection with the XRD data available in the literature (i.e., fractional occupancies of the NbO5Oμ2H sites). 1D (23)Na MAS and 2D (23)Na 3QMAS NMR studies of 1 revealed several distinct sodium sites. The multiplicity of the sites was again compared to structural details previously obtained by single-crystal X-ray diffraction (XRD) studies. The (23)Na MAS NMR study of 3 confirmed the presence of a much larger distribution of sodium sites in accordance with the 10 sodium sites predicted by XRD. Finally, the effect of Nb/Ta substitutions in 1 was also probed by multinuclear MAS NMR ((1)H, (23)Na, and (93)Nb).

  18. Multinuclear Solid-State NMR Investigation of Hexaniobate and Hexatantalate Compounds.

    PubMed

    Deblonde, Gauthier J-P; Coelho-Diogo, Cristina; Chagnes, Alexandre; Cote, Gérard; Smith, Mark E; Hanna, John V; Iuga, Dinu; Bonhomme, Christian

    2016-06-20

    This work determines the potential of solid-state NMR techniques to probe proton, alkali, and niobium environments in Lindqvist salts. Na7HNb6O19·15H2O (1), K8Nb6O19·16H2O (2), and Na8Ta6O19·24.5H2O (3) have been studied by solid-state static and magic angle spinning (MAS) NMR at high and ultrahigh magnetic field (16.4 and 19.9 T). (1)H MAS NMR was found to be a convenient and straightforward tool to discriminate between protonated and nonprotonated clusters AxH8-xM6O19·nH2O (A = alkali ion; M = Nb, Ta). (93)Nb MAS NMR studies at different fields and MAS rotation frequencies have been performed on 1. For the first time, the contributions of NbO5Oμ2H sites were clearly distinguished from those assigned to NbO6 sites in the hexaniobate cluster. The strong broadening of the resonances obtained under MAS was interpreted by combining chemical shift anisotropy (CSA) with quadrupolar effects and by using extensive fitting of the line shapes. In order to obtain the highest accuracy for all NMR parameters (CSA and quadrupolar), (93)Nb WURST QCPMG spectra in the static mode were recorded at 16.4 T for sample 1. The (93)Nb NMR spectra were interpreted in connection with the XRD data available in the literature (i.e., fractional occupancies of the NbO5Oμ2H sites). 1D (23)Na MAS and 2D (23)Na 3QMAS NMR studies of 1 revealed several distinct sodium sites. The multiplicity of the sites was again compared to structural details previously obtained by single-crystal X-ray diffraction (XRD) studies. The (23)Na MAS NMR study of 3 confirmed the presence of a much larger distribution of sodium sites in accordance with the 10 sodium sites predicted by XRD. Finally, the effect of Nb/Ta substitutions in 1 was also probed by multinuclear MAS NMR ((1)H, (23)Na, and (93)Nb). PMID:27245403

  19. Er3+ diffusion in LiTaO3 crystal

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Zhang, Qun; Wong, Wing-Han; Pun, Edwin Yue-Bun

    2015-12-01

    Some Er3+-doped LiTaO3 plates were prepared by in-diffusion of Er-metal film locally coated onto congruent Z-cut substrate in air at a wide temperature range from 1000 to 1500 °C. After diffusion, Er3+-doping effect on LiTaO3 refractive index and Li2O out-diffusion arising from Er3+ in-diffusion were studied at first. Refractive indices at the doped and undoped surface parts were measured by prism coupling technique and the surface composition was estimated. The results show that Er3+ dopant has small contribution to the LiTaO3 index. Li2O out-diffusion is slight (Li2O content loss <0.3 mol%) for the temperature below 1300 °C while is moderate (Li2O content loss <0.6 mol%) for the temperature above 1400 °C. The Er3+ profile was studied by secondary ion mass spectrometry. The study shows that the diffused Er3+ ions follow either a complementary error function or a Gaussian profile. Characteristic parameters including diffusivity, diffusion constant, activation energy, solubility, solubility constant and heat of solution were obtained and compared with the LiNbO3 case. The comparison shows that the diffusivity and solubility in LiTaO3 are considerably smaller than in LiNbO3 because of the difference of Ta and Nb in atomic weight.

  20. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering.

    PubMed

    Liu, L H; Yang, C; Kang, L M; Qu, S G; Li, X Q; Zhang, W W; Chen, W P; Li, Y Y; Li, P J; Zhang, L C

    2016-03-31

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications.

  1. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    NASA Astrophysics Data System (ADS)

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-03-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications.

  2. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    PubMed Central

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-01-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications. PMID:27029858

  3. An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes.

    SciTech Connect

    Nyman, May D.; Anderson, Travis Mark; Alam, Todd Michael; Rodriguez, Mark A; Joel N. Bixler; Francois Bonhomme

    2007-10-01

    Tantalate materials play a vital role in our high technology society: tantalum capacitors are found in virtually every cell phone. Furthermore, electronic characteristics and the incredibly inert nature of tantalates renders them ideal for applications such as biomedical implants, nuclear waste forms, ferroelectrics, piezoelectrics, photocatalysts and optical coatings. The inert and insoluble nature of tantalates is not fundamentally understood; and furthermore poor solubility renders fabrication of novel or optimized tantalates very difficult. We have developed a soft chemical route to water-soluble tantalum oxide clusters that can serve as both precursors for novel tantalate materials and ideal models for experimental and computational approaches to understanding the unusually inert behavior of tantalates. The water soluble cluster, [Ta6O19]8- is small, highly symmetric, and contains the representative oxygen types of a metal oxide surface, and thus ideally mimics a complex tantalate surface in a simplistic form that can be studied unambiguously. Furthermore; in aqueous solution, these highly charged and super-basic clusters orchestrate surprising acid-base behavior that most likely plays an important role in the inertness of related oxide surfaces. Our unique synthetic approach to the [Ta6O19]8- cluster allowed for unprecedented enrichment with isotopic labels (17O), enabling detailed kinetic and mechanistic studies of the behavior of cluster oxygens, as well as their acid-base behavior. This SAND report is a collection of two publications that resulted from these efforts.

  4. New insights into the initial stages of Ta oxide nanotube formation on polycrystalline Ta electrodes.

    PubMed

    El-Sayed, Hany A; Horwood, Corie A; Abhayawardhana, Anusha D; Birss, Viola I

    2013-02-21

    Ta oxide nanotubes (NTs) were formed by the anodization of Ta at 15 V in a solution of concentrated sulfuric acid containing 0.8-1.0 M hydrofluoric acid. To study the initial stages of NT formation, FESEM images of samples anodized for very short times were obtained. The results contradict the existing explanation of the current-time data collected during anodization, which has persisted in the literature for more than two decades. In addition to providing a first-time morphological study of Ta oxide NT formation at very early stages of anodization, we also propose a new interpretation of the i-t response, showing that pores are already present in the first few milliseconds of anodization and that NTs are formed well before present models predict. This behaviour may also extend to the anodization of other valve metals, such as Al, Ti, Zr, W, and Nb. PMID:23338813

  5. Search for solid conductors of Na(+) and K(+) ions: Five new conductors

    NASA Technical Reports Server (NTRS)

    Singer, J.; Kautz, H.; Fielder, W. L.; Fordyce, J.

    1975-01-01

    Five conductors of three structure types were discovered which, as solids, can transport Na(+) or K(+) ions with conductivities of approximately .00001/(omega cm) at 300 K. These compounds are: (1) the pyrochlores NaTaWO6 and NaTa2O5F, both with an activation energy for conduction delta E of 21 kJ/mole; (2) the bodycentered cubic form of NaSbO3, with delta E = 42 kJ/mole; and (3) the niobates 2Na2O with 3Nb2O5 and 2K2O with 3Nb2O5, with the alkali ions probably in open layers of the incompletely determined structure; delta E = 17 kJ/mole. On the basis of approximately 40 structure types, some generalizations were made regarding the relation between structure and ionic transport.

  6. Mechanical properties and microstructures of dental cast Ti-6Nb-4Cu, Ti-18Nb-2Cu, and Ti-24Nb-1Cu alloys.

    PubMed

    Takahashi, Masatoshi; Kikuchi, Masafumi; Takada, Yukyo

    2016-01-01

    The mechanical properties -tensile strength, yield strength, elongation after fracture, and Vickers hardness- and alloy phases of the dental cast alloys Ti-6%Nb-4%Cu, Ti-18%Nb-2%Cu, and Ti-24%Nb-1%Cu were investigated. Ti-6%Nb-4%Cu consisted of a single α-phase, while Ti-18%Nb-2%Cu and Ti-24%Nb-1%Cu consisted of α- and β-phases. The tensile strengths, yield strengths, and hardnesses of these alloys were higher than those of Ti-5%Cu and Ti-30%Nb; however, their breaking elongations were smaller. These differences in the mechanical properties are attributable to solid-solution strengthening or to precipitation strengthening by the dual-phase (α+β) structure. Thus, Ti-Nb-Cu alloys are suitable for use in high-strength dental prostheses, such as implantretained superstructures and narrow-diameter implants. PMID:27477221

  7. Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.

    PubMed

    Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian

    2014-03-01

    The first series of complexes of niobium(v) oxide trifluoride, [NbOF3(OPR3)2] (R = Me or Ph), [NbOF3(dppmO2)] (dppmO2 = Ph2P(O)CH2P(O)Ph2), [NbOF3(dmso)2], [NbOF3(tmeda)] (tmeda = Me2N(CH2)2NMe2) and [NbOF3(diimine)] (diimine = 2,2'-bipy, 1,10-phen) have been prepared, either by reaction of the corresponding complexes of NbF5 and hexamethyldisiloxane (HMDSO) in CH2Cl2-MeCN solution, or directly from NbF5, ligand and HMDSO. They were characterised by IR, (1)H, (31)P{(1)H} and (19)F{(1)H} NMR spectroscopy, and X-ray crystal structures are reported for [NbOF3(OPR3)2] (R = Me or Ph) and [NbOF3(dppmO2)]. Complexes of NbOCl3, [NbOCl3(OPPh3)2], [NbOCl3(dppmO2)], [NbOCl3(dppeO2)] (dppeO2 = Ph2P(O)(CH2)2P(O)Ph2), [NbOCl3(tmeda)] and [NbOCl3(diimine)] were made from NbCl5 and HMDSO in MeCN (which forms [NbOCl3(MeCN)2] in situ), followed by addition of the neutral ligand. Their properties are compared with the oxide fluoride analogues. X-ray structures are reported for [NbOCl3(dppmO2)], [NbOCl3(dppeO2)], [NbOCl3(tmeda)] and [NbOCl3(2,2'-bipy)]. The synthesis and spectroscopic characterisation of [MF5L] (M = Nb or Ta; L = OPR3, OAsPh3) and [MF4(diimine)2][MF6] are also described, and the key properties of the four series of complexes compared. PMID:24413623

  8. Interpretation of Polar Orders Based on Electric Characterizations: Example of Pb(Yb_{1/2}Nb_{1/2})O_3-PbTiO_3 Solid Solution

    NASA Astrophysics Data System (ADS)

    Cochard, Charlotte; Bril, Xavier; Guedes, Orland; Janolin, Pierre-Eymeric

    2016-11-01

    Characterizing the polar order is a fundamental step in the understanding of a material and a necessity for application purposes since each polar order is associated with specific functionalities. Here, using the Pb(Yb_{1/2}Nb_{1/2})O_3-PbTiO_3 (PYN-PT) solid solution as an example, we propose to differentiate the polar order based on two simple electrical characterization methods: measurement of the dielectric constant and hysteresis loops. Comparing the dielectric constant measured in high and low electric field conditions, we show that the polarization-electric field measurements may induce out-of-equilibrium phases. The better understanding of the effect of the measuring conditions on the polar order has led us to propose a new sequence of equilibrium polar orders in the PYN-PT solid solution at room temperature.

  9. Crystal-structure and magnetic phase transformations in solid solutions of BiFeO{sub 3}-AFe{sub 0.5}Nb{sub 0.5}O{sub 3} (A = Ca, Sr, Ba, Pb)

    SciTech Connect

    Troyanchuk, I. O.; Bushinsky, M. V. Chobot, A. N.; Mantytskaya, O. S.; Pushkarev, N. V.; Szymczak, R.

    2008-08-15

    Solid solutions of Bi{sub 1-x}A{sub x}(Fe{sub 1-x/2}Nb{sub x/2})O{sub 3}, where A = Ca, Ba, and Pb, are obtained and their crystal structure and magnetic properties are investigated. It is shown that for A = Ca and x {approx} 0.15, the symmetry of the unit cell changes from rhombohedral (space group R3c) to orthorhombic (Pbnm). The transformation leads to the emergence of spontaneous magnetization due to the Dzyaloshinskii-Moriya interaction. Solid solutions with A = Pb remain rhombohedral up to a concentration of x = 0.3. Spontaneous magnetization sharply increases in the compound with x {approx} 1 at low temperatures and is due to the formation of the spin-glass component.

  10. Phase diagram of (Na0.5K0.5)NbO3-(Bi0.5Na0.5)ZrO3 solid solution

    NASA Astrophysics Data System (ADS)

    Wang, Ruiping; Itoh, Mitsuru

    2016-06-01

    Phase diagram of (1‑x)Na0.5K0.5NbO3-x(Bi0.5Na0.5)ZrO3 solid solution has been established from dielectric constant measurements and structure analyses. It is found that with increasing x, the C-T phase transition temperature TC‑T and the T-O phase transition temperature TT‑O decrease, while the O‑R phase transition temperature TO‑R increases. TT‑O of NKN-xBNZ is much different from that of NKN-xBZ solid solution. The result could be mainly elucidated by the hybridization between the A-site ion and oxygen.

  11. Structure and physical properties of the barium niobium sulfides BaNbS{sub 3} and BaNb{sub 0.8}S{sub 3-{delta}}

    SciTech Connect

    Kim, Sung-Jin; Bae, Hyun-Sook; Yee, Kyeong-Ae; Choy, Jin-Ho; Kim, Dong-Kuk; Hur, Nan-Hwi

    1995-03-01

    BaNb{sub 0.8}S{sub 3-{delta}} and BaNbS{sub 3} were prepared by heating desired amounts of BaCO{sub 3} and Nb{sub 2}O{sub 5} under CS{sub 2}/N{sub 2} flow. The authors found that nominal composition of BaNb{sub 0.8}S has sulfur defect, and therefore should be written as BaNb{sub 0.8}S{sub 3-{delta}}. XANES experiments of Nb K-edges and XPS experiments proved that the oxidation state of Nb is the same in BaNb{sub 0.8}S{sub 3-{delta}} and BaNbS{sub 3}. To understand their structures, the electronic and physical properties of the BaMX{sub 3} (M = V, Nb, X = S; M = Ta, X = S, Se) phases are compared. In spite of their structural similarity, they exhibit rather different physical properties. It has been known that BaVS{sub 3} is a metal and undergoes a metal to semiconductor transition at 130 K, and this phase shows the ferro/antiferromagnetic transition at a lower temperature. However, BaNbS{sub 3} and BaTaS{sub 3} are diamagnetic semiconductors at room temperature. The major factor stabilizing the semiconducting state for BaTaX{sub 3} and BaNbS{sub 3} may be a large spin-orbit coupling rather than a structural distortion.

  12. Preparation and properties of all-solid-state inorganic thin film glass/ITO/WO3/LiNbO3/NiOx/ITO electrochromic device

    NASA Astrophysics Data System (ADS)

    Wu, Zhonghou; Diao, Xungang; Dong, Guobo

    2016-01-01

    The all-thin-film inorganic electrochromic device (ECD) with LiNbO3 as the ion conductor layer was prepared. The ECD was fabricated monolithically in a same vacuum chamber layer by layer using DC reactive sputtering for WO3, NiOx and ITO, and radio frequency (RF) sputtering for LiNbO3. The properties and performance of WO3 thin film and the ECD were studied through X-ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet-visible spectrometry. WO3 thin film has more than 60% optical modulation with porous amorphous structure. The visible transmittance modulation of the ECD is more than 65%, and the response time of coloring and bleaching are 45 s and 25 s, respectively.

  13. Releasing metal catalysts via phase transition: (NiO)0.05-(SrTi0.8Nb0.2O3)0.95 as a redox stable anode material for solid oxide fuel cells.

    PubMed

    Xiao, Guoliang; Wang, Siwei; Lin, Ye; Zhang, Yanxiang; An, Ke; Chen, Fanglin

    2014-11-26

    Donor-doped perovskite-type SrTiO3 experiences stoichiometric changes at high temperatures in different Po2 involving the formation of Sr or Ti-rich impurities. NiO is incorporated into the stoichiometric strontium titanate, SrTi0.8Nb0.2O3-δ (STN), to form an A-site deficient perovskite material, (NiO)0.05-(SrTi0.8Nb0.2O3)0.95 (Ni-STN), for balancing the phase transition. Metallic Ni nanoparticles can be released upon reduction instead of forming undesired secondary phases. This material design introduces a simple catalytic modification method with good compositional control of the ceramic backbones, by which transport property and durability of solid oxide fuel cell anodes are largely determined. Using Ni-STN as anodes for solid oxide fuel cells, enhanced catalytic activity and remarkable stability in redox cycling have been achieved. Electrolyte-supported cells with the cell configuration of Ni-STN-SDC anode, La0.8Sr0.2Ga0.87Mg0.13O3 (LSGM) electrolyte, and La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) cathode produce peak power densities of 612, 794, and 922 mW cm(-2) at 800, 850, and 900 °C, respectively, using H2 as the fuel and air as the oxidant. Minor degradation in fuel cell performance resulted from redox cycling can be recovered upon operating the fuel cells in H2. Such property makes Ni-STN a promising regenerative anode candidate for solid oxide fuel cells.

  14. Characterization of solid-phase welds between Ti-6Al-2Sn-4Zr-2Mo-0. 01Si and Ti-13. 5A1-21. 5Nb titanium aluminide

    SciTech Connect

    Baeslack, W.A. III; Juhas, M.; Fraser, H.L. ); Broderick, T.F. . Materials Directorate)

    1994-12-01

    Dissimilar-alloy welds have been produced between Ti-6Al-2Sn-4Zr-2Mo-0.1Si (wt.%) and Ti-13.5Al-21.5Nb (wt.%) titanium aluminide using three different solid-phase welding processes that create significantly different thermo-mechanical conditions at the weld interface. Exposure to supertransus temperatures, appreciable deformation and rapid cooling of the weld interface region during linear-friction welding promote dynamic recrystallization of beta grains and beta decomposition to fine martensitic products. In contrast, diffusion welding at temperatures below the base metal beta transus temperatures and at relatively low pressures minimizes deformation and microstructural variations in the weld interface region relative to the unaffected base metal. During capacitor-discharge resistance spot welding, extremely rapid heating of the weld interface region to near-solidus temperatures, and subsequent rapid cooling, result in the formation of a metastable, ordered-beta microstructure in the Ti-13.5ASl-21.5Nb and fine alpha-prime martensite in the Ti-6Al-2Sn-4Zr-2Mo-0.1Si.

  15. Structural and kinetic investigation of the hydride composite Ca(BH4)2 + MgH2 system doped with NbF5 for solid-state hydrogen storage.

    PubMed

    Karimi, Fahim; Pranzas, P Klaus; Pistidda, Claudio; Puszkiel, Julián A; Milanese, Chiara; Vainio, Ulla; Paskevicius, Mark; Emmler, Thomas; Santoru, Antonio; Utke, Rapee; Tolkiehn, Martin; Minella, Christian B; Chaudhary, Anna-Lisa; Boerries, Stefan; Buckley, Craig E; Enzo, Stefano; Schreyer, Andreas; Klassen, Thomas; Dornheim, Martin

    2015-11-01

    Designing safe, compact and high capacity hydrogen storage systems is the key step towards introducing a pollutant free hydrogen technology into a broad field of applications. Due to the chemical bonds of hydrogen-metal atoms, metal hydrides provide high energy density in safe hydrogen storage media. Reactive hydride composites (RHCs) are a promising class of high capacity solid state hydrogen storage systems. Ca(BH4)2 + MgH2 with a hydrogen content of 8.4 wt% is one of the most promising members of the RHCs. However, its relatively high desorption temperature of ∼350 °C is a major drawback to meeting the requirements for practical application. In this work, by using NbF5 as an additive, the dehydrogenation temperature of this RHC was significantly decreased. To elucidate the role of NbF5 in enhancing the desorption properties of the Ca(BH4)2 + MgH2 (Ca-RHC), a comprehensive investigation was carried out via manometric measurements, mass spectrometry, Differential Scanning Calorimetry (DSC), in situ Synchrotron Radiation-Powder X-ray Diffraction (SR-PXD), X-ray Absorption Spectroscopy (XAS), Anomalous Small-Angle X-ray Scattering (ASAXS), Scanning and Transmission Electron Microscopy (SEM, TEM) and Nuclear Magnetic Resonance (NMR) techniques.

  16. Structural and kinetic investigation of the hydride composite Ca(BH4)2 + MgH2 system doped with NbF5 for solid-state hydrogen storage.

    PubMed

    Karimi, Fahim; Pranzas, P Klaus; Pistidda, Claudio; Puszkiel, Julián A; Milanese, Chiara; Vainio, Ulla; Paskevicius, Mark; Emmler, Thomas; Santoru, Antonio; Utke, Rapee; Tolkiehn, Martin; Minella, Christian B; Chaudhary, Anna-Lisa; Boerries, Stefan; Buckley, Craig E; Enzo, Stefano; Schreyer, Andreas; Klassen, Thomas; Dornheim, Martin

    2015-11-01

    Designing safe, compact and high capacity hydrogen storage systems is the key step towards introducing a pollutant free hydrogen technology into a broad field of applications. Due to the chemical bonds of hydrogen-metal atoms, metal hydrides provide high energy density in safe hydrogen storage media. Reactive hydride composites (RHCs) are a promising class of high capacity solid state hydrogen storage systems. Ca(BH4)2 + MgH2 with a hydrogen content of 8.4 wt% is one of the most promising members of the RHCs. However, its relatively high desorption temperature of ∼350 °C is a major drawback to meeting the requirements for practical application. In this work, by using NbF5 as an additive, the dehydrogenation temperature of this RHC was significantly decreased. To elucidate the role of NbF5 in enhancing the desorption properties of the Ca(BH4)2 + MgH2 (Ca-RHC), a comprehensive investigation was carried out via manometric measurements, mass spectrometry, Differential Scanning Calorimetry (DSC), in situ Synchrotron Radiation-Powder X-ray Diffraction (SR-PXD), X-ray Absorption Spectroscopy (XAS), Anomalous Small-Angle X-ray Scattering (ASAXS), Scanning and Transmission Electron Microscopy (SEM, TEM) and Nuclear Magnetic Resonance (NMR) techniques. PMID:26418174

  17. Relaxor Behavior and Dielectric Relaxation in Lead-Free Solid Solutions of (1 - x)(Bi0.5Na0.5TiO3)- x(SrNb2O6)

    NASA Astrophysics Data System (ADS)

    Bajpai, P. K.; Singh, K. N.; Tamrakar, Preeti

    2016-02-01

    Lead-free compositions (1 - x) (Bi0.5Na0.5TiO3)- x(SrNb2O6) (BNT-SN) are synthesized by a simple solid state reaction route. SN diffuse in distorted perovskite BNT for low concentrations of SN ( x ≤ 0.03) and are stabilized in rhombohedral perovskite phase with experimentally observed relative density of the ceramics >92%. A temperature-dependent dielectric response exhibits a broad dielectric peak that shows frequency-dependent shifts towards higher temperatures reflecting typical relaxor behavior. Modified Curie-Weiss law and Lorentz-type empirical relationships are used to fit the dielectric data that exhibit almost complete diffuse phase transition characteristics. In addition, significant dielectric dispersion is observed in a low-frequency regime in both components of the dielectric response and a small dielectric relaxation peak is observed. Cole-Cole plots indicate the poly-dispersive nature of the dielectric relaxation.

  18. Piezoelectric Properties of Fine-Grained Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3-Bi(Zn1/2Ti1/2)O3 Quaternary Solid Solution Ceramics

    NASA Astrophysics Data System (ADS)

    Yue, Ruifang; Hou, Xianbo; He, Wenze; Yu, Jian

    2013-06-01

    On the basis of solid state reaction eutectic behavior between Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 (PMN-PZT) and metastable perovskite-type Bi(Zn1/2Ti1/2)O3 (BZT), perovskite-structured PMN-PZT-BZT quaternary solid solution piezoceramics with various compositions were experimentally demonstrated with an intrinsic low sintering temperature in the windows of 950-1050 °C. These fine-grained densified PMN-PZT-BZT ceramics were able to be poled sufficiently at room temperature through polarization-electric field hysteresis loop measurement, different from normal poling treatment with DC bias field at high temperature, which will simplify future device processing of monolithic multilayer piezoceramic transducers. A typical piezoelectric property of dielectric constant ɛ33T/ɛ0 = 3471, piezoelectric constant d33 = 480 pC/N, planar coupling coefficient kp = 0.41, thickness coupling coefficient kt = 0.50, mechanical quality factor Qm = 68 and relaxor ferroelectric phase transition temperature Tm = 167 °C at 1 MHz was obtained for the fine-grained densified Pb0.96Sr0.04(Mg1/3Nb2/3)0.37Zr0.24Ti0.39O3+3%Bi(Zn0.5Ti0.5)O3+2%NiO ceramics sintered at 1020 °C, which is much promising to manufacture monolithic multilayer piezoelectric transducers with Ag95/Pd5 as inner electrode material.

  19. Determination of Activities of Niobium in Cu-Nb Melts Containing Dilute Nb

    NASA Astrophysics Data System (ADS)

    Wang, Daya; Yan, Baijun; Sichen, Du

    2015-04-01

    The activity coefficients of niobium in Cu-Nb melts were measured by equilibrating solid NbO2 with liquid copper under controlled oxygen potentials in the temperature range of 1773 K to 1898 K (1500 °C to 1625 °C). Either CO-CO2 gas mixture or H2-CO2 gas mixture was employed to obtain the desired oxygen partial pressures. Cu-Nb system was found to follow Henry's law in the composition range studied. The temperature dependence of Henry's constant in the Cu-Nb melts could be expressed as follows: The partial molar excess Gibbs energy change of niobium in Cu-Nb melts can be expressed as follows:

  20. Structural, dielectric and magnetic properties of (Pb1-xCax)(Fe0.5Nb0.5)O3 solid solution ceramics

    NASA Astrophysics Data System (ADS)

    Puri, Maalti; Bahel, Shalini; Raevski, I. P.; Narang, Sukhleen Bindra

    2016-06-01

    Ceramic samples of (Pb1-xCax)(Fe0.5Nb0.5)O3 with x=0.0, 0.20, 0.40, 0.45, 0.50, 0.55, 0.60 and 1.0 were fabricated by columbite precursor method. All the synthesized samples have a perovskite structure and unit cell volume decreases with increasing Ca content. The substitution of Ca for Pb has been found to have a pronounced effect on structural, dielectric and magnetic properties. Saturated magnetic loops were observed at room temperature for compositions with x≥0.40. The observed maximal magnetization at room temperature is rather small and varies non-monotonically with increasing Ca contents. It is supposed that room-temperature magnetic properties of (Pb1-xCax)(Fe0.5Nb0.5)O3 ceramics might be due to the presence of ferromagnetic impurity, presumably PbFe12O19 and/or CaFe12O19.

  1. Rapid solidification of Nb-base alloys

    NASA Technical Reports Server (NTRS)

    Gokhale, A. B.; Javed, K. R.; Abbaschian, G. J.; Lewis, R. E.

    1988-01-01

    New Nb-base alloys are of interest for aerospace structural applications at high temperatures, viz, 800 to 1650 C. Fundamental information regarding the effects of rapid solidification in achieving greatly refined microstructures, extended solid solubility, suppression of embrittling equilibrium phases, and formation of new phases is desired in a number of Nb-X alloys. The microstructures and selected properties of Nb-Si and other Nb-base alloys are presented for materials both rapidly quenched from the equilibrium liquidus and rapidly solidified following deep supercooling. Electromagnetic levitation was used to achieve melting and supercooling in a containerless inert gas environment. A variety of solidification conditions were employed including splatting or drop casting of supercooled samples. The morphology and composition of phases formed are discussed in terms of both solidification history and bulk composition.

  2. Corrigendum to: "Crystal growth and magnetic characterization of a tetragonal polymorph of NiNb2O6" [J. Solid State Chem. 236 (2016) 19-23

    NASA Astrophysics Data System (ADS)

    Munsie, T. J. S.; Millington, A.; Dube, P. A.; Dabkowska, H. A.; Britten, J.; Luke, G. M.; Greedan, J. E.

    2016-07-01

    We have become aware of an error in this published manuscript. In it we stated that the space group of NiNb2O6, P42/n, is not a subgroup of the tri-rutile space group, P42/mnm. This is not correct. While the two space groups are not directly related, i.e. by a single step, they are connected via the intermediate symmetry P42/m, as shown below and which can be determined from a careful perusal of the International Tables for Crystallography (Vol. A) and of course the Bilbao Server. P42/m (#86) is a maximal non-isomorphic subgroup of P42/mnm (#186) and a minimal non-isomorphic supergroup of P42/n (#84). We thank Prof. J.M. Perez-Mato for guiding our understanding of these relationships.

  3. Investigation on structural, Mössbauer and ferroelectric properties of (1-x)PbFe0.5Nb0.5O3-(x)BiFeO3 solid solution

    NASA Astrophysics Data System (ADS)

    Dadami, Sunanda T.; Matteppanavar, Shidaling; Shivaraja, I.; Rayaprol, Sudhindra; Angadi, Basavaraj; Sahoo, Balaram

    2016-11-01

    In this study, (1-x)PbFe0.5Nb0.5O3(PFN)-(x)BiFeO3(BFO) multiferroic solid solutions with x=0.0, 0.1, 0.2, 0.3 and 0.4 were synthesized through single step solid state reaction method and characterized thoroughly through X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier Transform Infra-Red (FTIR), Raman, Mössbauer spectroscopy and ferroelectric studies. The room temperature (RT) XRD studies confirmed the formation of single phase with negligible amount of secondary phases (x=0.2 and 0.4). The zoomed XRD patterns of (1-x)PFN-(x)BFO solid solutions showed the clear structural phase transition from monoclinic (Cm) to rhombohedral (R3c) at x=0.4. The Raman spectra of the (1-x)PFN-(x)BFO solid solutions showed the composition dependent phase transition from monoclinic (Cm) to rhombohedral (R3c). With increasing x in PFN, the modes related monoclinic symmetry changes to those of rhombohedral symmetry. The RT Mössbauer spectroscopy results evidenced the existence of composition dependent phase transition from paramagnetic to weak antiferromagnetic ordering and weak antiferromagnetic to antiferromagnetic ordering. The Mössbauer spectroscopy showed paramagnetic behavior with a doublet for x=0.0, 0.1 and 0.2 are shows the weak antiferromagnetic with paramagnetic ordering. For x=0.3 and 0.4 shows the sextet pattern and it is a clear evidence of antiferromagnetism. The ferroelectric (P-E) loops at RT indicate the presence of small polarization, as the x concentration increases in PFN, the remnant polarization and coercive field were decreased, which may due to the increase in the conductivity and leaky behavior of the samples.

  4. Pressure dependence of the monoclinic phase in (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ solid solutions

    SciTech Connect

    Ahart, Muhtar; Sinogeikin, Stanislav; Shebanova, Olga; Ikuta, Daijo; Ye, Zuo-Guang; Mao, Ho-kwang; Cohen, R. E.; Hemley, Russell J.

    2012-12-26

    We combine high-pressure x-ray diffraction, high-pressure Raman scattering, and optical microscopy to investigate a series of (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ (PMN-xPT) solid solutions (x=0.2, 0.3, 0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The Raman spectra show a peak centered at 380 cm⁻¹ starting above 6 GPa for all samples, in agreement with previous observations. X-ray diffraction measurements are consistent with this spectral change indicating a structural phase transition; we find that the triplet at the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our results indicate that the morphotropic phase boundary region (x=0.33–0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The pressure dependence of ferroelectric domains in PMN-0.32PT single crystals was observed using a polarizing optical microscope. The domain wall density decreases with pressure and the domains disappear at a modest pressure of 3 GPa. We propose a pressure-composition phase diagram for PMN-xPT solid solutions.

  5. Study of Sr2Mg(Mo0.8Nb0.2)O6-δ as anode material for solid oxide fuel cells using hydrocarbons as fuel

    NASA Astrophysics Data System (ADS)

    Escudero, M. J.; Gómez de Parada, I.; Fuerte, A.; Daza, L.

    2013-12-01

    Sr2Mg(Mo0.8Nb0.2)O6-δ (SMMNb) was investigated as potential anode material of solid oxide fuel cells (SOFCs) for direct oxidation of methane. The compound was prepared by solid state reaction, followed by annealing under reducing atmosphere of 10% H2/N2 at 900 °C. The structural and morphological properties of fresh and reduced material were characterized by XRD, XPS and SEM. Additionally, catalytic properties towards oxidation of methane, electrical properties in reducing atmosphere as well as thermal and chemical compatibility with common SOFC electrolytes were investigated. These results reveal a double perovskite single phase in the fresh and reduced compound and, after reduction, a change in the niobium valence was observed. SMMNb shows a good activity for methane partial oxidation as well as combined reforming reaction. The material presents a semiconductor behaviour with n-type electronic conduction and an excellent thermal compatibility with SOFC electrolytes such as SDC, GDC and LSGM, based on similarity of values of TEC. However, this material reacts with zirconia-based electrolytes (YSZ and ScSZ). Although, a low electrochemical activity for H2 and CH4 oxidation was found, SMMNb demonstrates high tolerance to carbon deposition when the anode is exposed to methane.

  6. Pressure dependence of the monoclinic phase in (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ solid solutions

    DOE PAGES

    Ahart, Muhtar; Sinogeikin, Stanislav; Shebanova, Olga; Ikuta, Daijo; Ye, Zuo-Guang; Mao, Ho-kwang; Cohen, R. E.; Hemley, Russell J.

    2012-12-26

    We combine high-pressure x-ray diffraction, high-pressure Raman scattering, and optical microscopy to investigate a series of (1–x)Pb(Mg1/3Nb2/3)O3-xPbTiO₃ (PMN-xPT) solid solutions (x=0.2, 0.3, 0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The Raman spectra show a peak centered at 380 cm⁻¹ starting above 6 GPa for all samples, in agreement with previous observations. X-ray diffraction measurements are consistent with this spectral change indicating a structural phase transition; we find that the triplet at the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our results indicate that the morphotropic phase boundary regionmore » (x=0.33–0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The pressure dependence of ferroelectric domains in PMN-0.32PT single crystals was observed using a polarizing optical microscope. The domain wall density decreases with pressure and the domains disappear at a modest pressure of 3 GPa. We propose a pressure-composition phase diagram for PMN-xPT solid solutions.« less

  7. Electronic structure of Au-Ta alloys:. An X-ray spectroscopy study

    NASA Astrophysics Data System (ADS)

    Kuhn, M.; Sammynaiken, R.; Sham, T. K.

    1998-07-01

    Au-Ta alloys with the compositions of AuTa, AuTa 2 and AuTa 3, prepared by quenching from the melt, has been studied with X-ray diffraction, photoelectron spectroscopy (XPS) and X-ray absorption near-edge structure (XANES) measurements. It was found that while AuTa 3 is a single-phase solid solution, AuTa 2 and AuTa have mixed phases and that the Au and Ta 4f levels of the alloys shift to higher binding energy, relative to the pure metal; this is accompanied by a narrowing of the Au 5d component of the alloy d-band, which moves away from the Fermi level. This observation is interpreted in terms of a charge compensation model in which Au loses d charge but is overcompensated by s-p charge gain, resulting in a small net charge flow from Ta to Au. The observed Ta 4f binding energy shift is as predicted by electronegativity and indicates charge depletion at the Ta site. The notion of d charge depletion at both Au and Ta sites upon alloying is confirmed independently by XANES measurements which showed that the L 2,3 edge whiteline intensity for both Au and Ta increases as they become more dilute in the host, indicating an increase in d hole count. The experimental results compare favorably with a recent linear-augmented Slater-type-orbital (LASTO) calculations. The implications of these results are discussed.

  8. Magnetotransport of single crystalline NbAs

    DOE PAGES

    Ghimire, N. J.; Luo, Yongkang; Neupane, M.; Williams, D. J.; Bauer, E. D.; Ronning, F.

    2015-03-27

    We report transport measurement in zero and applied magnetic field on a single crystal of NbAs. Transverse and longitudinal magnetoresistance in the plane of this tetragonal structure does not saturate up to 9 T. In the transverse configuration (H ∥ c, I ⊥ c) it is 230,000% at 2 K. The Hall coefficient changes sign from hole-like at room temperature to electron-like below ~150 K. The electron carrier density and mobility calculated at 2 K based on a single band approximation are 1.8 × 1019 cm-3 and 3.5 × 105 cm2/Vs, respectively. These values are similar to reported values formore » TaAs and NbP, and further emphasize that this class of noncentrosymmetric, transition-metal monopnictides is a promising family to explore the properties of Weyl semimetals and the consequences of their novel electronic structure.« less

  9. Synthesis of a 12R-type hexagonal perovskite solid solution Sr3NdNb(3-x)Ti(x)O(12-δ) and the influence of acceptor doping on electrical properties.

    PubMed

    Chinelatto, Adilson L; Boulahya, Khalid; Pérez-Coll, Domingo; Amador, Ulises; Tabacaru, Corina; Nicholls, Simon; Hoelzel, Markus; Sinclair, Derek C; Mather, Glenn C

    2015-04-28

    A solid solution forms for Sr3NdNb(3-x)Ti(x)O(12-δ) with approximate limits 0 ≤ x ≤ 0.06. The system crystallizes with a 12R-type hexagonal perovskite structure in the space group R3, as determined by neutron diffraction and selected area electron diffraction. The electrical properties of the end members have been investigated by impedance spectroscopy in the temperature range 550-800 °C under various gas atmospheres and as a function of oxygen and water-vapour partial pressure. Proton transport dominates under wet oxidising conditions in the temperature range 550-700 °C, as confirmed by the H(+)/D(+) isotope effect. Acceptor doping considerably enhances proton conductivity with a value of 3.3 × 10(-6) S cm(-1) for the bulk response of x = 0.06 at 700 °C in moistened air. The presence of a -¼ slope for both doped and undoped samples in the range 10(-19) ≤ pO2 ≤ 10(-8) atm at 900 °C indicates n-type transport under reducing conditions following the extrinsic model attributable to acceptor centres. The conductivity is essentially independent of pO2 at 600 °C under dry oxidising conditions, consistent with oxide-ion transport; a positive power-law dependence at higher temperature indicates extrinsic behaviour and a significant electron-hole contribution. The dielectric constant at RT of nominally stoichiometric Sr3NdNb3O12 is εr ∼ 37, with a moderately high quality factor of Q × f ∼ 16,400 GHz at fr ∼ 6.4 GHz. The temperature coefficient of resonant frequency of x = 0 is τf ∼ 12 ppm °C(-1), which lowers to -3 ppm °C(-1) for the Ti-doped phase x = 0.06. PMID:25811695

  10. Solid-state chemistry on a surface and in a beaker: Unconventional routes to transition metal chalcogenide nanomaterials

    SciTech Connect

    Stender, Christopher L.; Sekar, Perumal; Odom, Teri W.

    2008-07-15

    This article focuses on two different approaches to create nanoscale transition metal chalcogenide materials. First, we used chemical nanofabrication, a combination of top-down patterning and bottom-up solid-state synthesis, to achieve control over the shape, size, and ordering of the patterned nanomaterials. We demonstrated orientational control over nanocrystals within sub-300 nm patterns of MoS{sub 2} and formed free-standing nanostructures of crystalline NiS{sub 2}. In addition, crossed line arrays of mixed metal chalcogenide nanostructures were achieved, and TaS{sub 2} nanopatterns were made by the chemical transformation of tantalum oxide templates. Second, we developed a one-pot procedure using molecular precursors to synthesize two-dimensional NbSe{sub 2}, TaS{sub 2} and TaSe{sub 2} nanoplates and one-dimensional NbSe{sub 2} wires depending on the relative amount of surfactants in the reaction mixture. Prospects for these transition metal chalcogenide nanomaterials with controlled shapes and morphologies will be discussed. - Graphical abstract: This paper describes how transition metal chalcogenide nanomaterials can be produced by two approaches. First, chemical nanofabrication-a combination of top-down patterning and bottom-up solid-state synthesis-was used to achieve control over the shape, size, and ordering of patterned nanomaterials. Second, a one-pot procedure using molecular precursors was developed to synthesize two-dimensional nanoplates and one-dimensional nanowires of conducting transition metal dichalcogenides.

  11. HREM of electron-beam-induced damage in L-Ta 2O 5

    NASA Astrophysics Data System (ADS)

    Wagner, T. R.

    1991-04-01

    Samples of L-Ta 2O 5 exposed to a high current density electron beam were observed by high resolution electron microscopy (HREM) to reduce to suboxide and metallic Ta phases. Data are presented for crystals aligned along [001], [020], [200], and [130], in which surface areas are seen to reduce to Ta 2O, TaO 2, bcc Ta, or a β-Ta phase via an amorphous intermediate phase. The driving force appears to involve desorption of oxygen stimulated by electronic transitions (DIET), and the possible involvement of the "infinitely adaptive nature" of the initial L-Ta 2O 5 structure in the damage process is discussed. Comparison of results obtained from an ultrahigh vacuum HREM to those from a conventional HREM suggests that contamination effects in lower vacuum systems influences the reliability of the results, especially in complex systems like Ta&1bO. Finally, the results follow a symmetry selection rule, which explains why L-Ta 2O 5 does not reduce to the monoxide phase as observed in similar experiments with TiO 2, V 2O 5, and Nb 2O 5.

  12. Exfoliation and thermal transformations of Nb-substituted layered titanates

    SciTech Connect

    Song Haiyan; Sjastad, Anja O.; Fjellvag, Helmer; Okamoto, Hiroshi; Vistad, Ornulv B.; Arstad, Bjornar; Norby, Poul

    2011-12-15

    -substituted nanosheets were obtained by exfoliation of layered titanates. Black-Right-Pointing-Pointer Nb(V) successfully introduced into anatase and rutile solid solutions. Black-Right-Pointing-Pointer Anatase obtained from reconstructed nanosheets exhibit enhanced thermal stability. Black-Right-Pointing-Pointer Oxygen partial pressure influences the valence of Nb in heat-treated samples. Black-Right-Pointing-Pointer Deposition of oriented thin Ti(Nb)O{sub 2} layers by spray coating was demonstrated.

  13. Strategy for stabilization of the antiferroelectric phase (Pbma) over the metastable ferroelectric phase (P2{sub 1}ma) to establish double loop hysteresis in lead-free (1−x)NaNbO{sub 3}-xSrZrO{sub 3} solid solution

    SciTech Connect

    Guo, Hanzheng Randall, Clive A.; Shimizu, Hiroyuki; Mizuno, Youichi

    2015-06-07

    A new lead-free antiferroelectric solid solution system, (1−x)NaNbO{sub 3}-xSrZrO{sub 3}, was rationalized through noting the crystal chemistry trend, of decreasing the tolerance factor and an increase in the average electronegativity of the system. The SrZrO{sub 3} doping was found to effectively stabilize the antiferroelectric (P) phase in NaNbO{sub 3} without changing its crystal symmetry. Preliminary electron diffraction and polarization measurements were presented which verified the enhanced antiferroelectricity. In view of our recent report of another lead-free antiferroelectric system (1−x)NaNbO{sub 3}-xCaZrO{sub 3} [H. Shimizu et al. “Lead-free antiferroelectric: xCaZrO{sub 3} - (1−x)NaNbO{sub 3} system (0 ≤ x ≤ 0.10),” Dalton Trans. (published online)], the present results point to a general strategy of utilizing tolerance factor to develop a broad family of new lead-free antiferroelectrics with double polarization hysteresis loops. We also speculate on a broad family of possible solid solutions that could be identified and tested for this important type of dielectric.

  14. Solid Oxide Membrane (SOM) Process for Facile Electrosynthesis of Metal Carbides and Composites

    NASA Astrophysics Data System (ADS)

    Zou, Xingli; Chen, Chaoyi; Lu, Xionggang; Li, Shangshu; Xu, Qian; Zhou, Zhongfu; Ding, Weizhong

    2016-09-01

    Metal carbides (MCs) and composites including TiC, SiC, TaC, ZrC, NbC, Ti5Si3/TiC, and Nb/Nb5Si3 have been directly electrosynthesized from their stoichiometric metal oxides/carbon (MOs/C) mixture precursors by an innovative solid oxide membrane (SOM)-assisted electrochemical process. MOs/C mixture powders including TiO2/C, SiO2/C, Ta2O5/C, ZrO2/C, Nb2O5/C, TiO2/SiO2/C, Nb2O5/SiO2 were pressed to form porous pellets and then served as cathode precursors. A SOM-based anode, made from yttria-stabilized zirconia (YSZ)-based membrane, was used to control the electroreduction process. The SOM electrochemical process was performed at 1273 K (1000 °C) and 3.5 to 4.0 V in molten CaCl2. The oxygen component contained in the MOs/C precursors was gradually removed during electroreduction process, and thus, MOs/C can be directly converted into MCs and composites at the cathode. The reaction mechanism of the electroreduction process and the characteristics of the obtained MCs and composites products were systematically investigated. The results show that the electrosynthesis process typically involves compounding, electroreduction, dissolution-electrodeposition, and in situ carbonization processes. The products can be predesigned and controlled to form micro/nanostructured MCs and composites. Multicomponent multilayer composites (MMCs) have also been tried to electrosynthesize in this work. It is suggested that the SOM-assisted electroreduction process has great potential to be used for the facile and green synthesis of various MCs and composites.

  15. Absorption and emission of ErNbO 4 powder

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Wang, Yu-Fang; Pun, E. Y. B.; Yu, Yi-Zhong; Chen, Cai-He; Yao, Jian-Quan

    2004-05-01

    Visible and near infrared absorption and emission (488 nm excitation) characteristics of ErNbO 4 powder, which were prepared by calcining the Er 2O 3 (50 mol%) and Nb 2O 5 (50 mol%) powder mixture at 1100 and 1600 °C for different durations, have been investigated at room temperature. The absorption and emission characteristics of these calcined ErNbO 4 powder were summarized and discussed in comparison with those of Er 2O 3. Weak emission of Er 2O 3 relative to the calcined ErNbO 4 is mainly conducted with absorption difference at the excitation wavelength 488 nm. The obvious spectral changes from Er 2O 3 to calcined ErNbO 4 samples are related to an elevated-temperature-assisted phase transformation according to the solid-state chemical reaction equation: Er 2O 3 + Nb 2O 5 ⇌ 2ErNbO 4, which results in the changes of the ion environment of Er 3+ and hence changes of the Stark levels of Er 3+. The further spectral change as the strengthened calcination results from the improvement of ErNbO 4 purity in the calcined mixture. The borders between two green transitions and between two near infrared transitions in the emission spectra of both calcined samples and Er 2O 3 were tentatively identified by referencing earlier reported emission spectra of the precipitated Z-cut VTE Er(2.0 mol%):LiNbO 3 crystal and the match relation between absorption and emission spectra of the ErNbO 4 powder. A comparison was performed on the spectra of calcined ErNbO 4 powder and those of VTE Er(2.0 mol%):LiNbO 3 crystals. The results allow to preliminarily deem the contribution of ErNbO 4 precipitates, generated inside these crystals by the VTE procedure, to the spectra of these crystals.

  16. High temperature coarsening of Cr2Nb precipitates in Cu-8 Cr-4 Nb alloy

    NASA Technical Reports Server (NTRS)

    Anderson, Kenneth Reed

    1996-01-01

    A new high-temperature-strength, high-conductivity Cu-Cr-Nb alloy with a CrNb ratio of 2:1 was developed to achieve improved performance and durability. The Cu-8 Cr4 Nb alloy studied has demonstrated remarkable thermal and microstructural stability after long exposures at temperatures up to 0.98 T(sub m). This stability was mainly attributed to the slow coarsening kinetics of the Cr2Nb precipitates present in the alloy. At all temperatures, the microstructure consists of a bimodal and sometimes trimodal distribution of strengthening Cr2Nb precipitates, depending on precipitation condition, i.e. from liquid or solid solution, and cooling rates. These precipitates remain in the same size range, i.e. large precipitates of approximately I pm, and small precipitates less dm 300 nm, and effectively pin the grain boundaries thus retaining a fine grain size of 2.7 micro-m after 100 h at 1323 K. (A relatively small number of Cr-rich and Nb-rich particles were also present.) This grain boundary pinning and sluggish coarsening of Cr2Nb particles explain the retention of good mechanical properties after prolonged holding at very high temperatures, e.g., 75% of the original hardness after aging for 100 h at 1273 K. Application of LSW-based coarsening models indicated that the coarsening kinetics of the large precipitates are most likely governed by grain boundary diffsion and, to a lesser extent, volume diffusion mechanisms.

  17. Quench tests and FEM analysis of Nb3Al Rutherford cables and small racetrack magnets

    SciTech Connect

    Yamada, R.; Kikuchi, A.; Chlachidze, G.; Ambrosio, G.; Andreev, N.; Barzi, E.; Carcagno, R.; Kashikin, V.V.; Kotelnikov, S.; Lamm, M.; Novitski, I.; /Fermilab /Tsukuba Magnet Lab. /KEK, Tsukuba

    2008-12-01

    In collaboration between NIMS and Fermilab, we have made copper stabilized Nb{sub 3}Al Rutherford cables, using Nb-matrixed and Ta-matrixed strands. First these cables were investigated at high current in low self field using a flux pump. Using these Rutherford cables, we built and tested small racetrack magnets. The magnet made with the Nb-matrixed strand showed the flux jump instability in low field. The small racetrack magnet wound with the Ta-matrixed Nb{sub 3}Al Rutherford cable was very stable at 4.5 K operation without any instability, as well as at 2.2 K operation. With the successful operation of the small racetrack magnet up to its short sample data, the feasibility of the Nb{sub 3}Al strand and its Rutherford cable for their application to high field magnets is established. The characteristics of Nb{sub 3}Al Rutherford cable is compared with that of the Nb{sub 3}Sn Rutherford cable and the advantages of Nb{sub 3}Al Rutherford cable are discussed.

  18. Redetermination of tantalum penta­bromide, (TaBr5)2

    PubMed Central

    Habermehl, Katja; Pantenburg, Ingo; Meyer, Gerd

    2010-01-01

    Crystals of di-μ-bromido-bis­[tetra­bromidotantalum(V)], (TaBr5)2, were obtained by recrystallization at 773 K. A first crystal structure study of (TaBr5)2 was reported by Rolsten [J. Am. Chem. Soc. (1958) ▶, 80, 2952–2953], who analysed the powder diffraction pattern and came to the conclusion that it crystallizes isotypically with (NbBr5)2 in a primitive ortho­rhom­bic cell. These findings are not in agreement with our current results of a monoclinic C-centred structure. (TaBr5)2 is isotypic with α-(NbCl5)2. The crystal structure contains [TaBr6] octa­hedra sharing common edges forming [TaBr5]2 dimers. Two crystallographically independent dimers with symmetries m and 2/m and Ta⋯Ta distances of 4.1574 (11) and 4.1551 (15) Å, respectively, are present in the structure. PMID:21588474

  19. A redox-stable direct-methane solid oxide fuel cell (SOFC) with Sr2FeNb0.2Mo0.8O6-δ double perovskite as anode material

    NASA Astrophysics Data System (ADS)

    Ding, Hanping; Tao, Zetian; Liu, Shun; Yang, Yating

    2016-09-01

    Development of high-performing and redox-stable ceramic oxide electrode materials is a crucial technical step for direct hydrocarbon solid oxide fuel cells (SOFCs) operating at intermediate temperatures (550-700 °C). Here we report a nickel-free double perovskite, Sr2FeNb0.2Mo0.8O6-δ (SFNM20), for SOFC anode, and this anode shows outstanding performances with high resistance against carbon build-up and redox cycling in hydrocarbon fuels. At 800 °C, the SFNM20 anode shows electrical conductivity of 5.3 S cm-1 in 5% H2 and peak power densities of 520 and 380 mW cm-2 using H2 and CH4 as the fuel, respectively. The cell exhibits a very stable performance under different constant current loads in H2 and CH4 at 700 °C and high redox stability against the gas environment changes in the anode chamber. In addition, the electrode is structurally stable in various fuels, suggesting that it is a feasible material candidate for the electrode of high-performing SOFCs.

  20. Efficient and stable iron based perovskite La0.9Ca0.1Fe0.9Nb0.1O3-δ anode material for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Kong, Xiaowei; Zhou, Xiaoliang; Tian, Yu; Wu, Xiaoyan; Zhang, Jun; Zuo, Wei; Gong, Xiaobo; Guo, Zhanhu

    2016-06-01

    A novel La0.9Ca0.1Fe0.9Nb0.1O3-δ (LCFNb) perovskite for solid oxide fuel cells (SOFCs) anode is prepared by means of the citrate-nitrate route and composited with Ce0.8Sm0.2O1.9 (SDC) by impregnation method to form nano-scaled LCFNb/SDC anode catalytic layers. The single cells with LCFNb and LCFNb/SDC impregnated anodes both achieve relatively high power output with maximum power densities (MPDs) reaching up to 610, 823 mW·cm-2 in H2 at 800 °C, respectively, presenting a high potential of LCFNb for use as SOFCs anode. The power outputs of the single cells with LCFNb/SDC composite anode in CO and syngas (COsbnd H2 mixture) are almost identical to that in H2 at each testing temperature. This composite anode also presents excellent durability in both H2 and CO for as long as 50 h, showing desirable anti-reduction and carbon deposition resistance abilities. Besides, the cell output is stable in 100 ppm H2Ssbnd H2 atmospheres for 20 h at a current density of 600 mA·cm-2 with negligible sulfur accumulation on the anode surface. Hence, a novel iron based perovskite LCFNb anode with remarkable cell performance, carbon deposition resistance and sulfur poisoning tolerance for SOFCs is successfully obtained.

  1. New ternary tantalum borides containing boron dumbbells: Experimental and theoretical studies of Ta2OsB2 and TaRuB

    NASA Astrophysics Data System (ADS)

    Mbarki, Mohammed; Touzani, Rachid St.; Rehorn, Christian W. G.; Gladisch, Fabian C.; Fokwa, Boniface P. T.

    2016-10-01

    The new ternary transition metal-rich borides Ta2OsB2 and TaRuB have been successfully synthesized by arc-melting the elements in a water-cooled crucible under an argon atmosphere. The crystal structures of both compounds were solved by single-crystal X-ray diffraction and their metal compositions were confirmed by EDX analysis. It was found that Ta2OsB2 and TaRuB crystallize in the tetragonal Nb2OsB2 (space group P4/mnc, no. 128) and the orthorhombic NbRuB (space group Pmma, no. 51) structure types with lattice parameters a=5.878(2) Å, c=6.857(2) Å and a=10.806(2) Å, b=3.196(1) Å, c=6.312(2) Å, respectively. Furthermore, crystallographic, electronic and bonding characteristics have been studied by density functional theory (DFT). Electronic structure relaxation has confirmed the crystallographic parameters while COHP bonding analysis indicates that B2-dummbells are the strongest bonds in both compounds. Moreover, the formation of osmium dumbbells in Ta2OsB2 through a Peierls distortion along the c-axis, is found to be the origin of superstructure formation. Magnetic susceptibility measurements reveal that the two phases are Pauli paramagnets, thus confirming the theoretical DOS prediction of metallic character. Also hints of superconductivity are found in the two phases, however lack of single phase samples has prevented confirmation. Furthermore, the thermodynamic stability of the two modifications of AMB (A=Nb, Ta; M =Ru, Os) are studied using DFT, as new possible phases containing either B4- or B2-units are predicted, the former being the most thermodynamically stable modification.

  2. Solid-state conversion of (Na1/2Bi1/2)TiO3-BaTiO3-(K1/2Na1/2)NbO3 single crystals and their piezoelectric properties

    NASA Astrophysics Data System (ADS)

    Park, Ji-Hoon; Lee, Ho-Yong; Kang, Suk-Joong L.

    2014-06-01

    Piezoelectric ceramic with a composition of (94 - x)(Na1/2Bi1/2)TiO3-6BaTiO3-x(K1/2Na1/2)NbO3 (NBT-BT-xKNN) is a promising lead-free piezoelectric material for actuator applications because of its giant electric-field-induced strains, which are comparable with that of soft Pb(ZrxTi1-x)O3 (PZT) ceramics. Using the solid-state single crystal growth method, we succeeded in fabricating usable single crystals of NBT-BT-3KNN (6 mm × 6 mm × 8 mm size) with a uniform chemical composition. The room temperature piezoelectric properties of ⟨001⟩, ⟨110⟩, and ⟨111⟩ oriented single crystals were measured. Single crystals showed strong anisotropic strain characteristics. In particular, ⟨001⟩ oriented single crystals had excellent piezoelectric properties with small hysteresis and a high strain of 0.57% at 7 kV/mm. In addition, the fabricated single crystals exhibited a high converse piezoelectric constant, Smax/Emax, of over 1000 pm/V at 4 kV/mm. These values are greater than those reported for any lead-containing and lead-free ceramics and comparable with those of lead-based single crystals. Our investigation demonstrates the solid-state conversion of lead-free single crystals and their practical usability in replacement of lead-based materials.

  3. Thermodynamic properties of two metal-rich tantalum sulfides: Ta/sub 2/S and Ta/sub 6/S

    SciTech Connect

    Harbrecht, B.U.; Schmidt, S.R.; Franzen, H.F.

    1984-06-01

    The incongruent vaporization reactions of Ta/sub 2/S and Ta/sub 6/S have been investigated by mass-loss effusion in the temperature range 1576 to 1902 K. By extrapolation of P/sub s/(obs) to equilibrium the enthalpies of the reactions 3/2 Ta/sub 2/S(s) = 1/2 Ta/sub 6/S (S) + S(g) and Ta/sub 6/S = 6 Ta(s) + S(g) wee found to be ..delta..H/sub 29//sup 80//R = 53.9(0.3) X 10/sup 3/ K and ..delta..H/sub 298//sup 0//R = 58.1(0.4) X 10/sup 3/ K, respectively. Comparison between the above values, determined by a 2nd law treatment, and 3rd law values was used to derive fef (free energy function) values for Ta and S in the compounds. These postulated fef's, which apply only to the elements as present in the compounds measured, are compared to tabulated quantities for the pure solid elements to provide a criterion for 2nd and 3rd law evaluation.

  4. Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(V) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.

    PubMed

    Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar

    2014-04-21

    The alkylation of the starting pseudooctahedral dichlorido imido hydridotris(3,5-dimethylpyrazolyl)borate niobium and tantalum(v) compounds [MTp*Cl2(NtBu)] (M = Nb,Ta; Tp* = BH(3,5-Me2C3HN2)3) with MgClR in different conditions led to new alkyl chlorido imido derivatives [MTp*ClR(NtBu)] (M = Nb/Ta, R = CH2CH31a/1b, CH2Ph 2a/2b, CH2tBu 3a/3b, CH2SiMe34a/4b, CH2CMe2Ph 5a/5b), whereas the dimethyl derivatives [MTp*Me2(NtBu)] (M = Nb 6a, Ta 6b) could be isolated as unitary species when the reaction was carried out using 2 equivalents of the magnesium reagent MgClMe. However, the chlorido methyl [MTp*ClMe(NtBu)] (M = Nb 7a, Ta 7b) complexes were obtained by heating at 50 °C the dichlorido and dimethyl imido complexes mixtures in a 1 : 1 ratio. All of the complexes were studied by multinuclear magnetic resonance spectroscopy and the molecular structures of 1b, 2a/b, 3a/b, 4a and 5a/b were determined by X-ray diffraction methods. In the solid state the complexes 1b, 4a and 5a exhibit only a gauche-anti conformation and the complexes 2a/b, 3a/b and 5b exhibit only a gauche-syn conformation of the alkyl substituents, whereas both conformational states, which do not show mutual exchange in the NMR time scale, were observed for 3a/b in a benzene-d6 solution. The (15)N chemical shifts of the complexes 1-7 are discussed.

  5. TA-2 Water Boiler Reactor Decommissioning Project

    SciTech Connect

    Durbin, M.E.; Montoya, G.M.

    1991-06-01

    This final report addresses the Phase 2 decommissioning of the Water Boiler Reactor, biological shield, other components within the biological shield, and piping pits in the floor of the reactor building. External structures and underground piping associated with the gaseous effluent (stack) line from Technical Area 2 (TA-2) Water Boiler Reactor were removed in 1985--1986 as Phase 1 of reactor decommissioning. The cost of Phase 2 was approximately $623K. The decommissioning operation produced 173 m{sup 3} of low-level solid radioactive waste and 35 m{sup 3} of mixed waste. 15 refs., 25 figs., 3 tabs.

  6. Influence of temperature on luminescence of terbium ions in LiNbO{sub 3}

    SciTech Connect

    Ryba-Romanowski, W.; Golab, S.; Dominiak-Dzik, G.; Palatnikov, M. N.; Sidorov, N. V.

    2001-06-04

    Single crystals of LiNbO{sub 3} doped with terbium were grown by the Czochralski method and their optical properties were examined. It has been found that, in contrast to isostructural LiTaO{sub 3}:Tb, the terbium ions in LiNbO{sub 3} exhibit intense luminescence at low temperatures only, up to about 150 K. At this temperature, a luminescence quenching mechanism with activation energy of 0.22 eV is switched on. As a consequence, the luminescence of LiNbO{sub 3}:Tb is reduced to a negligible level at room temperature. {copyright} 2001 American Institute of Physics.

  7. Crack growth in a ductile-phase-toughened Nb/Nb[sub 3]Al in situ intermetallic composite under monotonic and cyclic loading

    SciTech Connect

    Murugesh, L.; Venkateswara Rao, K.T.; Ritchie, R.O. . Dept. of Materials Science and Mineral Engineering)

    1993-10-15

    One approach to improving the ductility and toughness of brittle solids is to incorporate a ductile phase into the brittle matrix in order to impede the extension of incipient cracks. In this regard, recent word has shown that niobium can provide significant ductile-phase toughening in several intermetallic composites via crack bridging, plastic stretching and interfacial debonding mechanisms; however, under cyclic loading the role of the ductile phase appears to be less effective. Accordingly, the purpose of the current study is to examine the effect of the addition of ductile Nb phase on fracture and fatigue behavior in an equiaxed Nb/Nb[sub 3]Al in situ composite; results are compared with behavior in unreinforced Nb[sub 3]Al and Nb to determine possible mechanisms of crack propagation in Nb-toughened Nb[sub 3]Al intermetallic composites.

  8. Magnetization, Low Field Instability and Quench of RHQT Nb(3)Al Strands

    SciTech Connect

    Yamada, R.; Wake, M.; Kikuchi, A.; Velev, V.; /Fermilab

    2009-01-01

    Since 2005, we made and tested three RHQT Nb{sub 3}Al strands, one with Nb matrix and two with Ta matrix, which are fully stabilized with Cu electroplating. We observed anomalously large magnetization curves extending beyond 1 to 1.5 Tesla with the F1 Nb matrix strand at 4.2 K, when we measured its magnetization with a balanced coil magnetometer. This problem was eliminated with the Ta matrix strands operating at 4.2 K. But with these strands a similar but smaller anomalous magnetization was observed at 1.9 K. We studied these phenomena with FEM. With the F1 Nb matrix strand, it is explained that at low external field, inter-filamentary coupling currents in the outer layers of sub-elements create a shielding effect. It reduces the inside field, keeps the inside Nb matrix superconductive, and stands against a higher outside field beyond the Hc of Nb. At an even higher external field, the superconductivity of the whole Nb matrix collapses and releases a large amount of energy, which may cause a big quench. Depending on the size of the energy in the strand or the cable, a magnet could quench, causing the low field instability. Some attempt to analyze the anomaly with FEM is presented.

  9. Theoretical investigations of structural, electronic and elastic properties of U2S3 type Nb2N3 under high pressure

    NASA Astrophysics Data System (ADS)

    Zhang, Ji-Dong; Huang, Xiao-Yu

    2015-01-01

    The structural, electronic and elastic properties of U2S3 type Nb2N3 under pressure ranging from 0 GPa to 100 GPa are investigated by plane-wave pseudopotential density functional theory with the generalized gradient approximation in this paper. The results at zero pressure are in good agreement with available theoretical results. The properties of U2S3 type Nb2N3 are compared to the new synthetic superhard material η-Ta2N3. The results show that U2S3 type Nb2N3 is hard to compress, and expected to have comparable hardness to η-Ta2N3.

  10. Interfacial reactions in the Nb/GaAs system

    SciTech Connect

    Schulz, K.J. ); Chang, Y.A.; )

    1989-11-01

    Solid-state reactions between niobium and gallium arsenide in both thin film and bulk forms were studied in the temperature range 400 to 1000 {degree}C using transmission electron microscopy (TEM), metallography, scanning electron microscopy (SEM), and electron probe microanalysis (EPMA). Initially Nb{sub 4}As{sub 3} and Nb{sub 5}Ga{sub 3} formed at the interface and grew very slowly. Following an incubation period, NbAs and NbGa{sub 3} nucleated and grew at rates several orders of magnitude faster than the initial phases. The resulting metastable diffusion path, Nb/NbGa{sub 3}/NbAs/GaAs, was observed even after relatively long-term annealing and is believed to be kinetically stabilized. Formation of the other Nb-Ga binary compounds as predicted by the phase diagram was inhibited by nucleation and kinetic barriers. The observed reaction sequence is discussed considering the thermodynamics, kinetics, and possible growth mechanisms involved in the reaction.

  11. Ferroelectric inversion layers formed by heat treatment of proton-exchanged LiTaO3

    NASA Astrophysics Data System (ADS)

    Nakamura, Kiyoshi; Shimizu, Hiroshi

    1990-04-01

    We report that a ferroelectric inversion layer can be formed in LiTaO3 by proton exchange in benzoic acid melts followed by heat treatment at temperatures just below the Curie point. It is demonstrated that the inversion layer appears at the -c surface for LiTaO3, whereas it appears at the +c surface for LiNbO3. The dependence of the inversion layer thickness on the conditions of proton exchange and heat treatment is also reported.

  12. Efficient Room-Temperature Activation of Methane by TaN(+) under C-N Coupling.

    PubMed

    Zhou, Shaodong; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2016-09-12

    The thermal reaction of diatomic tantalum nitride cation [TaN](+) with methane has been explored using FT-ICR mass spectrometry complemented by high-level quantum chemical calculation; based on this combined experimental/computational approach, mechanistic aspects of this novel, highly efficient C-N coupling process have been uncovered. In distinct contrast to [TaN](+) , its lighter congeners [VN](+) and [NbN](+) are inert towards methane under ambient conditions, and the origins of the remarkably variable efficiencies of the three metal nitrides are uncovered by CCSD(T) calculations. PMID:27510819

  13. INRAD work at TA-55

    SciTech Connect

    Kleinschmidt, Phillip D; Lacy, Keith A; Hahn, Wendy K; Shonrock, Clinton O

    2011-01-18

    The INRAD Facility at TA-55 is described. Safety considerations in operating the facility are described in the Detailed Operating Procedure (DOP) format. Other considerations on the future operation of the facility are discussed.

  14. Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers

    NASA Astrophysics Data System (ADS)

    Boltersdorf, Jonathan; Maggard, Paul A.

    2015-09-01

    The PbTa4O11 and BiTa7O19 phases were prepared by ion-exchange and solid-state methods, respectively, and their structures were characterized by neutron time-of-flight diffraction and Rietveld refinement methods (PbTa4O11, R 3 (No. 146), a=6.23700(2) Å, c=36.8613(1) Å; BiTa7O19, P 6 bar c 2 (No. 188), a=6.2197(2) Å, c=20.02981(9) Å). Their structures are comprised of layers of TaO6 octahedra surrounded by three 7-coordinate Pb(II) cations or two 8-coordinate Bi(III) cations. These layers alternate down the c-axis with α-U3O8 types of single and double TaO7 pentagonal bipyramid layers. In contrast to earlier studies, both phases are found to crystallize in noncentrosymmetric structures. Symmetry-lowering structural distortions within PbTa4O11, i.e. R 3 bar c →R3, are found to be a result of the displacement of the Ta atoms within the TaO7 and TaO6 polyhedra, towards the apical and facial oxygen atoms, respectively. In BiTa7O19, relatively lower reaction temperatures leads to an ordering of the Bi/Ta cations within a lower-symmetry structure, i.e., P63/mcm→ P 6 bar c 2 . In the absence of Bi/Ta site disorder, the Ta-O-Ta bond angles decrease and the Ta-O bond distances increase within the TaO7 double layers. Scanning electron microscopy images reveal two particle morphologies for PbTa4O11, hexagonal rods and finer irregularly-shaped particles, while BiTa7O19 forms as aggregates of irregularly-shaped particles. Electronic-structure calculations confirm the highest-energy valence band states are comprised of O 2p-orbitals and the respective Pb 6s-orbital and Bi 6s-orbital contributions. The lowest-energy conduction band states are composed of Ta 5d-orbital contributions that are delocalized over the TaO6 octahedra and layers of TaO7 pentagonal bipyramids. The symmetry-lowering distortions in the PbTa4O11 structure, and the resulting effects on its electronic structure, lead to its relatively higher photocatalytic activity compared to similar structures without

  15. Catalytic efficiency of Nb and Nb oxides for hydrogen dissociation

    SciTech Connect

    Isobe, Shigehito; Kudoh, Katsuhiro; Hino, Satoshi; Hashimoto, Naoyuki; Ohnuki, Somei; Hara, Kenji

    2015-08-24

    In this letter, catalytic efficiency of Nb, NbO, Nb{sub 2}O{sub 3}, NbO{sub 2}, and Nb{sub 2}O{sub 5} for dissociation and recombination of hydrogen were experimentally investigated. On the surface of Nb and Nb oxides in a gas mixture of H{sub 2} and D{sub 2}, H{sub 2} and D{sub 2} molecules can be dissociated to H and D atoms; then, H{sub 2}, D{sub 2}, and HD molecules can be produced according to the law of probability. With increase of frequency of the dissociation and recombination, HD ratio increases. The ratio of H{sub 2} and HD gas was analyzed by quadrupole mass spectrometry. As a result, NbO showed the highest catalytic activity towards hydrogen dissociation and recombination.

  16. Minimization of the hysteresis loss and low-field instability in technical Nb3Al conductors

    NASA Astrophysics Data System (ADS)

    Banno, N.; Takeuchi, T.; Nimori, S.; Tanaka, K.; Nakagawa, K.; Tsuchiya, K.

    2008-11-01

    This paper focuses on the magnetization characteristics of technical Nb3Al conductors, in particular the minimization of their hysteresis loss and low-field instability. Unlike the case of Nb3Sn wire fabrication, the Nb3Al wire is fabricated by a phase transformation process, in which it is believed that the Jc properties of the transformed Nb3Al phase do not depend on the filament size or shape, but rather are principally controlled by the rapid heating and quenching or transformation conditions. However, the rapid heating and quenching process forces us to use high-melting-point metals like niobium as the matrix. The use of Nb strongly affects the magnetization because of its superconductivity in low fields. In this paper, the magnetization properties of several kinds of technical Nb3Al conductors, including Ta matrix wires, were studied. The use of Ta was effective in suppressing low-field instability. In addition, we propose a new process to further minimize the filament diameter by a re-stacking (RS) method, whereby the rapidly quenched strands are re-stacked into a stabilizing material tube and co-drawn. This process leads to a very fine multifilamentary structure with a filament diameter of less than 15 µm, thereby substantially reducing the magnetization, as compared with high-performance Nb3Sn wires, e.g. RRP Nb3Sn wire. The ± 3 T hysteresis loss of the RS Nb3Al conductor was 370 mJ cm-3 and the non-Cu Jc (12 T, 4.2 K) of the conductor was 1350 A mm-2. These values meet the ITER strand specification.

  17. Precipitates in Nb and Nb-V microalloyed X80 pipeline steel.

    PubMed

    Li, Zhongyi; Liu, Delu; Zhang, Jianping; Tian, Wenhuai

    2013-08-01

    Precipitates in two X80 pipeline steels were studied by transmission electron microscopy equipped with an energy filtering system. The steels are microalloyed with niobium and niobium-vanadium (Nb-V), respectively, and produced by continuous hot rolling. Besides the precipitates TiN and (Ti, Nb) (C, N), which were 10-100 nm in size, a large number of precipitates smaller than 10 nm distributed in the two steels have been observed. In the Nb-V microalloyed steel, only a few titanium nitrides covered by vanadium compounds on the surface have been observed. It is inferred that the vanadium exists mainly in the matrix as a solid solution element. The fact has been accepted that there was no contribution to the precipitation strengthening of the X80 steel by adding 0.04-0.06% vanadium under the present production process. By contrast, the toughness of the Nb-V steel is deteriorated. Therefore, a better toughness property of the Nb microalloyed X80 results from the optimum microalloying composition design and the suitable accelerating cooling after hot rolling.

  18. A Review of the Properties of Nb3Sn and Their Variation with A15Composition, Morphology and Strain State

    SciTech Connect

    Godeke, Arno

    2006-03-27

    Significant efforts can be found throughout the literature to optimize the current carrying capacity of Nb{sub 3}Sn superconducting wires. The achievable transport current density in wires depends on the A15 composition, morphology and strain state. The A15 sections in wires contain, due to compositional inhomogeneities resulting from solid state diffusion A15 formation reactions, a distribution of superconducting properties. The A15 grain size can be different from wire to wire and is also not necessarily homogeneous across the A15 regions. Strain is always present in composite wires, and the strain state changes as a result of thermal contraction differences and Lorentz forces in magnet systems. To optimize the transport properties it is thus required to identify how composition, grain size and strain state influence the superconducting properties. This is not accurately possible in inhomogeneous and spatially complex systems such as wires. This article therefore gives an overview of the available literature on simplified, well defined(quasi--)homogeneous laboratory samples. After more than 50 years of research on superconductivity in Nb{sub 3}Sn, a significant amount of results are available, but these are scattered over a multitude of publications. Two reviews exist on the basic properties of A15 materials in general, but no specific review for Nb{sub 3}Sn is available. This article is intended to provide such an overview. It starts with a basic description of the Niobium--Tin intermetallic. After this it maps the influence of Sn content on the electron--phonon interaction strength and on the field-temperature phase boundary. The literature on the influence of Cu, Ti and Ta additions will then be briefly summarized.This is followed by a review on the effects of grain size and strain. The article is concluded with a summary of the main results.

  19. Fine Grained nb for Internal Tin NB3SN Conductors

    NASA Astrophysics Data System (ADS)

    Balachandran, S.; Barber, R. E.; Huang, Y.; Miao, H.; Parrell, J. A.; Hong, S.; Griffin, R. B.; Hartwig, K. T.

    2010-04-01

    The push to drive superconductor strand technology to reach higher critical current density (Jc) values and reduce production costs has led to innovative approaches in manufacturing technology. The Restacked Rod Process (RRP®) by Oxford Instruments is one such process which involves Nb bar extrusions in a Cu sheath. Commercially available Nb used in the initial RRP extrusion leads to nonuniform deformations of the Nb bar which in turn leads to a jagged Cu-Nb interface. This report presents a feasible methodology to remedy the problem of nonuniform deformation of Nb through severe plastic deformation (SPD) of precursor Nb to obtain smaller grains in starting Nb. Cu-Nb monocore extrusion and drawing experiments were accomplished at Oxford Instruments using Nb bars of nominal dimensions 45 mm diameter by and 78 mm long and with grain sizes in the range of μm to mm. Results of Cu-Nb interface roughness measurements show that a finer starting grain size gives a significantly lower roughness and better Nb core conformance to initial shape. Our experiments indicate that refinement of the initial Nb grain size to below ˜50μm could enable fabrication of RRP conductor with improved wire yield.

  20. The Kenticha rare-element pegmatite, Ethiopia: internal differentiation, U-Pb age and Ta mineralization

    NASA Astrophysics Data System (ADS)

    Küster, Dirk; Romer, Rolf L.; Tolessa, Dandena; Zerihun, Desta; Bheemalingeswara, K.; Melcher, Frank; Oberthür, Thomas

    2009-10-01

    The Kenticha rare-element pegmatite, a globally important tantalite source in the Neoproterozoic Adola Belt of southern Ethiopia, is a highly fractionated, huge (2,000 m long and up to 100 m thick), subhorizontal, sheet-like body, discordantly emplaced in ultramafic host rock. It corresponds to the spodumene subtype of the rare-element pegmatite class and belongs to the lithium-cesium-tantalum petrogenetic family. The Kenticha pegmatite is asymmetrically zoned from bottom to top into granitic lower zone, spodumene-free intermediate zone, and spodumene-bearing upper zone. A monomineralic quartz unit is discontinuously developed within the upper zone. Whole-rock data indicate an internal geochemical differentiation of the pegmatite sheet proceeding from the lower zone (K/Rb ~36, K/Cs ~440, Al/Ga ~2,060, Nb/Ta ~2.6) to the upper zone (K/Rb ~19, K/Cs ~96, Al/Ga ~1,600, Nb/Ta ~0.7). The latter one is strongly enriched in Li2O (up to 3.21%), Rb (up to 4,570 ppm), Cs (up to 730 ppm), Ga (up to 71 ppm), and Ta (up to 554 ppm). Similar trends of increasing fractionation from lower zone to upper zone were obtained in muscovite (K/Rb 23-14, K/Cs 580-290, K/Tl 6,790-3,730, Fe/Mn 19-10, Nb/Ta 6.5-3.8) and columbite-tantalite (Mn/Mn + Fe 0.4-1, Ta/Ta + Nb 0.1-0.9). The bottom-to-top differentiation of the Kenticha pegmatite and the Ta mineralization in its upper part are principally attributed to upward in situ fractionation of a residual leucogranitic to pegmatitic melt, largely under closed system conditions. High MgO contents (up to 5.05%) in parts of the upper zone are the result of postmagmatic hydrothermal alteration and contamination by hanging wall serpentinite. U-Pb dating of Mn-tantalite from two zones of the Kenticha pegmatite gave ages of 530.2 ± 1.3 and 530.0 ± 2.3 Ma. Mn-tantalite from the Bupo pegmatite, situated 9 km north of Kenticha, gave an age of 529.2 ± 4.1 Ma, indicating coeval emplacement of the two pegmatites. The emplacement of the pegmatites is

  1. Explorations of New SHG Materials in the Alkali-Metal-Nb(5+)-Selenite System.

    PubMed

    Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao

    2015-11-16

    Standard high-temperature solid-state reactions of NaCl, Nb2O5, and SeO2 resulted in two new sodium selenites containing a second-order Jahn-Teller (SOJT) distorted Nb(5+) cation, namely, Na2Nb4O7(SeO3)4 (P1̅; 1) and NaNbO(SeO3)2 (Cmc21; 2). Compound 1 exhibits an unusual 3D [Nb4O7(SeO3)4](2-) anionic network composed of 2D [Nb4O11(SeO3)2](6-) layers which are further bridged by additional SeO3(2-) anions via corner sharing; the 2D [Nb4O11(SeO3)2](6-) layer is formed by unusual quadruple [Nb4O17](14-) niobium oxide chains of corner-sharing NbO6 octahedra being further interconnected by selenite anions via Nb-O-Se bridges. The polar compound 2 features a 1D [NbO(SeO3)2](-) anionic chain in which two neighboring Nb(5+) cations are bridged by one oxo and two selenite anions. The alignments of the polarizations from the NbO6 octahedra in 2 led to a strong SHG response of ∼7.8 × KDP (∼360 × α-SiO2), which is the largest among all phases found in metal-Nb(5+)-Se(4+)/metal-Nb(5+)-Te(4+)-O systems. Furthermore, the material is also type I phase matchable. The above experimental results are consistent with those based on DFT theoretical calculations. Thermal stabilities and optical properties for both compounds are also reported. PMID:26513233

  2. Resistance to He2+ irradiation damage in metallic glass Ta38Ni62

    NASA Astrophysics Data System (ADS)

    Hou, Wenjing; Mei, Xianxiu; Zhang, Xiaonan; Wang, Yingmin; Qiang, Jianbing; Sun, Jianrong; Wang, Younian

    2016-10-01

    Metallic glass Ta38Ni62 strips, metallic W, and V87.5Cr4.17Ti4.17Nb4.17 alloy were irradiated using a 500 keV He2+ ion beam at different fluence to compare the metallic glass resistance to irradiation. Metallic glass Ta38Ni62 remained amorphous at different He2+ irradiation fluence. Transmission electron microscopy analysis revealed the presence of helium bubbles at the end of the range of helium ions in the metallic glass. No significant damage resulted in the metallic glass surface, and the root mean square roughness increased nonlinearly with the increase in fluence. At 1 × 1018 ions/cm2, metallic W appeared in larger sunken areas on the surface and V87.5Cr4.17Ti4.17Nb4.17 alloy experienced multi-layer flaking. The metallic glass Ta38Ni62 resistance to He2+ ion beam irradiation was better than that of metallic W, and that of the V87.5Cr4.17Ti4.17Nb4.17 alloy was the poorest.

  3. A New Niobium Cluster Oxychloride Built from Interconnected Nb 6Cl 12O 6 Units: Na 0.21Nb 6Cl 10.5O 3

    NASA Astrophysics Data System (ADS)

    Gulo, Fakhili; Perrin, Christiane

    2002-01-01

    The new Na0.21Nb6Cl10.5O3 oxychloride was synthesized by a solid state route, from NaCl, Nb2O5, NbCl5, and Nb, heated at 680°C for 2 weeks. The structure was determined by single-crystal X-ray diffraction. It crystallizes in the trigonal system (Roverline3c space group, a=11.5048(1) Å, c=44.9446(7) Å, V=5151.88(10) Å3, Z=12). The structure is built from [(Nb6Cli9Oi3) Oa3Cla3] units, which share their inner and apical oxygens forming pseudolayers with short Nb-Nb intercluster distances (3.399 Å). Along the c axis, these layers are interconnected by apical-apical chlorines. The sodium atoms are randomly distributed in the voids arranged between two adjacent layers, in a deformed chlorine prismatic coordination. The developed formula Na0.21 [(Nb6Cli9Oi-a3/2)Oa-i3/2Cla-a3/2] leads to a number of valence electrons per cluster close to 14. This oxychloride will be compared to CsNb6Cl12O2 which we have previously isolated and which was the first example of a Nb6 oxyhalide involving Oi-a, Oa-i interunit connections.

  4. EUSO-TA prototype telescope

    NASA Astrophysics Data System (ADS)

    Bisconti, Francesca

    2016-07-01

    EUSO-TA is one of the prototypes developed for the JEM-EUSO project, a space-based large field-of-view telescope to observe the fluorescence light emitted by cosmic ray air showers in the atmosphere. EUSO-TA is a ground-based prototype located at the Telescope Array (TA) site in Utah, USA, where an Electron Light Source and a Central Laser Facility are installed. The purpose of the EUSO-TA project is to calibrate the prototype with the TA fluorescence detector in presence of well-known light sources and cosmic ray air showers. In 2015, the detector started the first measurements and tests using the mentioned light sources have been performed successfully. A first cosmic ray candidate has been observed, as well as stars of different magnitude and color index. Since Silicon Photo-Multipliers (SiPMs) are very promising for fluorescence telescopes of next generation, they are under consideration for the realization of a new prototype of EUSO Photo Detector Module (PDM). The response of this sensor type is under investigation through simulations and laboratory experimentation.

  5. Microstructural Investigations On Ni-Ta-Al Ternary Alloys

    SciTech Connect

    Negache, M.; Souami, N.

    2010-01-05

    The Ni-Al-Ta ternary alloys in the Ni-rich part present complex microstructures. They are composed of multiple phases that are formed according to the nominal composition of the alloy, primary Ni(gamma), Ni{sub 3}Al(gamma'), Ni{sub 6}AlTa(tau{sub 3}), Ni{sub 3}Ta(delta) or in equilibrium: two solid phases (gamma'-tau{sub 3}), (tau{sub 3}-delta), (tau{sub 3}-gamma), (gamma-delta) or three solid phases (gamma'-tau{sub 3}-delta). The nature and the volume fraction of these phases give these alloys very interesting properties at high temperature, and this makes them attractive for specific applications. We have developed a series of ternary alloys in electric arc furnace, determining their solidification sequences using Differential Thermal Analysis (DTA), characterized by SEM-EDS, X-ray diffraction and by a microhardness tests. The follow-up results made it possible to make a correlation between the nature of the formed phases and their solidifying way into the Ni{sub 75}Al{sub x}Ta{sub y} (x+y = 25at.%) system, which are varied and complex. In addition to the solid solution Ni (gamma), the formed intermetallics compounds (gamma', tau{sub 3} and delta) has been identified and correlated with a complex balance between phases.We noticed that the hardness increases with the tantalum which has a hardening effect and though the compound Ni{sub 3}Ta(delta) is the hardest. The below results provide a better understanding of the complex microstructure of these alloys.

  6. Magnetotransport of single crystalline NbAs

    SciTech Connect

    Ghimire, N. J.; Luo, Yongkang; Neupane, M.; Williams, D. J.; Bauer, E. D.; Ronning, F.

    2015-03-27

    We report transport measurement in zero and applied magnetic field on a single crystal of NbAs. Transverse and longitudinal magnetoresistance in the plane of this tetragonal structure does not saturate up to 9 T. In the transverse configuration (H ∥ c, I ⊥ c) it is 230,000% at 2 K. The Hall coefficient changes sign from hole-like at room temperature to electron-like below ~150 K. The electron carrier density and mobility calculated at 2 K based on a single band approximation are 1.8 × 1019 cm-3 and 3.5 × 105 cm2/Vs, respectively. These values are similar to reported values for TaAs and NbP, and further emphasize that this class of noncentrosymmetric, transition-metal monopnictides is a promising family to explore the properties of Weyl semimetals and the consequences of their novel electronic structure.

  7. Possibility of high-energy THz generation in LiTaO3

    NASA Astrophysics Data System (ADS)

    Tokodi, L.; Buzády, A.; Hebling, J.; Pálfalvi, L.

    2016-09-01

    Due to the absence of the detrimental three-photon absorption, LiTaO3 is a promising crystal for terahertz generation when pumping with an 800-nm pump wavelength. The nonlinear optical, photorefractive and dielectric (except the bandwidth) properties at the optical and the terahertz wavelength are very similar to those of LiNbO3. The absorption coefficient and refractive index spectra of 1 mol% Mg-doped stoichiometric LiTaO3 measured by terahertz time domain spectroscopy are presented. Optimization calculations have been performed, and results for a hybrid-type high-energy terahertz source using LiTaO3 are presented. About 90 % diffraction efficiency is predicted with a practically feasible contact grating.

  8. The TA and TALE Experiments

    NASA Astrophysics Data System (ADS)

    Thomson, Gordon

    2006-10-01

    The TA/TALE experiment is under construction, and is being deployed in Millard County, Utah. It will consist of a suite of detectors covering four orders of magnitude in energy, from 1016.5 to 1020.5eV, and will observe cosmic ray showers with fluorescence detectors and arrays of scintillation counters. Events will be seen by multiple detectors and cross calibration of detectors' energy scales will be possible. TA/TALE will observe all three features of the spectrum of ultrahigh energy cosmic rays, observe the galactic/extragalactic transition, study the cosmology of cosmic ray sources, and perform anisotropy studies with unprecedented accuracy.

  9. High dielectric constant observed in (1 − x)Ba(Zr{sub 0.07}Ti{sub 0.93})O{sub 3}–xBa(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} binary solid-solution

    SciTech Connect

    Kruea-In, Chatchai; Eitssayeam, Sukum; Pengpat, Kamonpan; Rujijanagul, Gobwute

    2012-10-15

    Binary solid-solutions of the (1 − x)Ba(Zr{sub 0.07}Ti{sub 0.93})O{sub 3}–xBa(Fe{sub 0.5}Nb{sub 0.5}O{sub 3}) system, with 0.1 ≤ x ≤ 0.9,were fabricated via a solid-state processing technique. X-ray diffraction analysis revealed that all samples exhibited a single perovskite phase. The BaFe{sub 0.5}Nb{sub 0.5}O{sub 3} also promoted densification and grain growth of the system. Dielectric measurements showed that all samples displayed a relaxor like behavior. The x = 0.1 sample presented a dielectric-frequency and temperature with low loss tangent (<0.07 at 10 kHz). For x > 0.2 samples, the dielectric data showed a broad dielectric constant–temperature curve with a giant dielectric characteristic. In addition, a high dielectric constant > 50,000 (at 10 kHz and temperature > 150 °C) was observed for the x = 0.9 sample.

  10. High-strength high-conductivity Cu-Nb microcomposite sheet fabricated via multiple roll bonding

    NASA Astrophysics Data System (ADS)

    Jha, S. C.; Delagi, R. G.; Forster, J. A.; Krotz, P. D.

    1993-01-01

    Copper-niobium microcomposites are a new class of high-strength high-conductivity materials that have attractive properties for room- and elevated-temperature applications. Since Nb has little solid solubility in Cu, addition of Nb to Cu does not affect its conductivity. Copper-niobium microcomposites are melted and cast so that the microstructure of cast Cu-Nb ingots consists of 1-to 10 μm Nb dendrites uniformly distributed within the copper matrix. Extensive wire drawing with a true processing strain ( η > 12) of Cu-Nb alloy leads to refinement and elongation of Nb dendrites into 1-to 10 nm-thick filaments. The presence of such fine Nb filaments causes a significant increase in the strength of Cu-Nb wires. The tensile strength of heavily drawn Cu-Nb wires was determined to be significantly higher than the values predicted by the rule of mixtures. This article reports the fabrication of high-strength Cu-Nb micro-composite sheet by multiple roll bonding. It is difficult and impractical to attain high processing strains ( η > 3) by simple cold rolling. In most practical cold-rolling operation, the thickness reduction does not exceed 90 pct ( η ≅ 2). Therefore, innovative processing is required to generate high strength in Cu-Nb microcomposite sheet. Multiple roll bonding of Cu-Nb has been utilized to store high processing strain ( η > 10) in the material and refine the Nb particle size within the copper matrix. This article describes the microstructure, mechanical properties, and thermal stability of roll-bonded Cu-Nb microcomposite sheet.

  11. TA-55 change control manual

    SciTech Connect

    Blum, T.W.; Selvage, R.D.; Courtney, K.H.

    1997-11-01

    This manual is the guide for initiating change at the Plutonium Facility, which handles the processing of plutonium as well as research on plutonium metallurgy. It describes the change and work control processes employed at TA-55 to ensure that all proposed changes are properly identified, reviewed, approved, implemented, tested, and documented so that operations are maintained within the approved safety envelope. All Laboratory groups, their contractors, and subcontractors doing work at TA-55 follow requirements set forth herein. This manual applies to all new and modified processes and experiments inside the TA-55 Plutonium Facility; general plant project (GPP) and line item funded construction projects at TA-55; temporary and permanent changes that directly or indirectly affect structures, systems, or components (SSCs) as described in the safety analysis, including Facility Control System (FCS) software; and major modifications to procedures. This manual does not apply to maintenance performed on process equipment or facility SSCs or the replacement of SSCs or equipment with documented approved equivalents.

  12. The Crystallization Clinic-A TA Orientation Exercise

    NASA Astrophysics Data System (ADS)

    Kandel, Marjorie

    1999-01-01

    Our orientation exercise for TAs in the organic laboratories is a Crystallization Clinic, and the main feature is a contest. Each TA has a different unknown solid to recrystallize. The products are judged by the students in the organic lab courses. Beauty of the crystals is the single criterion. The contest serves to refresh the TAs' technique and to give them empathy with the beginning students.

  13. Nioboaeschynite-(Ce), Ce(NbTi)O6

    PubMed Central

    Morrison, Shaunna M.; Downs, Robert T.; Domanik, Kenneth J.; Yang, Hexiong; Doell, Donald

    2012-01-01

    Nioboaeschynite-(Ce), ideally Ce(NbTi)O6 [cerium(III) niobium(V) titanium(IV) hexa­oxide; refined formula of the natural sample is Ca0.25Ce0.79(Nb1.14Ti0.86)O6], belongs to the aeschynite mineral group which is characterized by the general formula AB 2(O,OH)6, where eight-coordinated A is a rare earth element, Ca, Th or Fe, and six-coordinated B is Ti, Nb, Ta or W. The general structural feature of nioboaeschynite-(Ce) resembles that of the other members of the aeschynite group. It is characterized by edge-sharing dimers of [(Nb,Ti)O6] octa­hedra which share corners to form a three-dimensional framework, with the A sites located in channels parallel to the b axis. The average A—O and B—O bond lengths in nioboaeschynite-(Ce) are 2.471 and 1.993 Å, respectively. Moreover, another eight-coordinated site, designated as the C site, is also located in the channels and is partially occupied by A-type cations. Additionally, the refinement revealed a splitting of the A site, with Ca displaced slightly from Ce (0.266 Å apart), presumably resulting from the crystal-chemical differences between the Ce3+ and Ca2+ cations. PMID:22904701

  14. Raman scattering study on formation of ErNbO4 powder

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Wang, Dun-Chun; Wang, Yu-Fang; Pun, E. Y. B.

    2004-08-01

    A Raman scattering study was performed on ErNbO4 powder prepared by thermally calcining the mixture of 50 mol% Er2O3 and 50 mol% Nb2O5 powder at 1100 °C and 1600 °C over different durations. The scattering features are summarized and discussed. In combination with X-ray diffraction results some useful information on the preparation of the ErNbO4 powder was obtained. A simple formation mechanism for ErNbO4 powder phase was suggested on the basis of an elevated-temperature-assisted solid-state chemical reaction: Er2O3 + Nb2O5 2ErNbO4. A Raman study was also performed on some samples powdered from vapor-transport-equilibrated (VTE) Er(2.0 mol%):LiNbO3 crystals, in which nanocrystalline ErNbO4 was induced by the VTE procedure. A comparison of the spectra of the crystal-powdered samples with those of directly calcined powder revealed that Raman peaks observed in the calcined powder cannot be resolved in either the single crystal or the crystal-powdered sample due to the lower content of the ErNbO4 phase in the crystal. Present Raman results on powdered crystal support our earlier work on the assignment of the phonon modes in LiNbO3 crystals.

  15. Nb(x)Ti(1-x)N Superconducting-Nanowire Single-Photon Detectors

    NASA Technical Reports Server (NTRS)

    Stern, Jeffrey A.; Farr, William H.; Leduc, Henry G.; Bumble, Bruce

    2008-01-01

    Superconducting-nanowire single-photon detectors (SNSPDs) in which Nb(x)Ti(1-x)N (where x<1) films serve as the superconducting materials have shown promise as superior alternatives to previously developed SNSPDs in which NbN films serve as the superconducting materials. SNSPDs have potential utility in optical communications and quantum cryptography. Nb(x)Ti(1-x)N is a solid solution of NbN and TiN, and has many properties similar to those of NbN. It has been found to be generally easier to stabilize Nb(x)Ti(1-x)N in the high-superconducting-transition temperature phase than it is to so stabilize NbN. In addition, the resistivity and penetration depth of polycrystalline films of Nb(x)Ti(1-x)N have been found to be much smaller than those of films of NbN. These differences have been hypothesized to be attributable to better coupling at grain boundaries within Nb(x)Ti(1-x)N films.

  16. Physical and chemical characterization of combinatorial metal gate electrode Ta-C-N library film

    SciTech Connect

    Chang, K.-S.; Green, M. L.; Levin, I.; Hattrick-Simpers, J. R.; Jaye, C.; Fischer, D. A.; Takeuchi, I.; De Gendt, S.

    2010-05-10

    This paper reports comprehensive structural and chemical analyses for the combinatorial Ta-C-N/HfO{sub 2} system, crucial data for understanding the electrical properties of Ta-C-N/HfO{sub 2}. Combinatorial Ta-C-N 'library' (composition spread) films were deposited by magnetron sputtering. Electron probe wavelength dispersive spectroscopy and x-ray fluorescence-yield near-edge spectroscopy were used to quantitatively determine the composition across these films. Scanning x-ray microdiffractometry determined that a solid solution of Ta(C,N){sub x} forms and extends to compositions (0.3<=Ta<=0.5 and 0.57<=Ta<=0.67) that were previously unknown. The thermal stability of the Ta-C-N/HfO{sub 2} library was studied using high resolution transmission electron microscopy, which shows Ta-C-N/HfO{sub 2}/SiO{sub 2}/Si exhibiting good thermal stability up to 950 deg. C.

  17. Electrochemical formation and optimization of Ta-based nanomaterials

    NASA Astrophysics Data System (ADS)

    Horwood, Corie A.

    The primary focus of this research has been to develop simple and precise methods for the formation of novel Ta-based nanostructures, including Ta oxide nanotubes (NTs) and Ta-supported Au nanoparticle (NP) arrays. These nanomaterials are very useful for applications in sensing, electrocatalysis/catalysis, spectroscopy, and more. The Ta oxide NTs are formed by the electrochemical anodization of Ta, a process which can be modified to produce ordered nanoscale dimples that cover the Ta surface. These dimples can then be used as templates for the formation of ordered Au nanoparticle arrays. An in-depth study of the anodization variables showed that NT growth can be slowed down by decreasing the anodization time and HF concentration in the solution, allowing the controlled formation of short (50--1000 nm) NTs in under one minute. The charge passed during anodization was found to be directly proportional to the length of the NTs formed, making cross-sectional imaging unnecessary. A novel two-step anodization method, interspersed with a thermal annealing or negative polarization step, produced stable and well-ordered NTs free of a problematic thin surface oxide layer. These vertically oriented arrays of short NTs were found to have interesting optical properties, with visible structural colours that depend on NT length. The colour of the NT arrays was also found to depend on the medium inside the NTs (air, water, other solids), used for the first time to monitor NT filling, and to determine the refractive index and porosity of the Ta oxide nanotubular array, properties that are otherwise very difficult to obtain. Dimpled Ta was used to create ordered Au NP arrays using two thin film dewetting methods, thermal annealing and pulsed laser-induced dewetting. These methods yield Au NPs of predictable size, shape, spacing, and surface density, with these parameters varying predictably with the initial thickness of the Au thin film and the technique used for dewetting. The Au

  18. Comparison of low-voltage field emission from TaC and tungsten fiber arrays

    SciTech Connect

    Cochran, J.K.; Lee, K.J.; Hill, D.N.

    1988-01-01

    Field emitter array (FEA) devices were constructed using thin-film fabrication techniques based on in situ eutectic composites containing either TaC or NbC fibers in a NiCr alloy matrix. The emission characteristics of the TaC devices were measured and compared to those of W--ZrO/sub 2/ FEA's. Both devices produced the linear Fowler--Nordheim plots common to all field emission devices; however, the array current density of the TaC FEA's was more than two orders of magnitude lower than that of the W--ZrO/sub 2/ FEA's. This was primarily due to the lower fiber density and lower field enhancement of the carbide fiber devices. If it were possible to produce cathode geometries comparable to those of the W--ZrO/sub 2/ FEA's, a theoretical analysis indicates that emission performance of the TaC devices would be superior because of the lower work function of TaC. However, post-emission observations indicated that the carbide fiber emitters failed more readily than the tungsten emitters under comparable operating conditions.

  19. Effect of A Site and Oxygen Vacancies on the Structural and Electronic Properties of Lead-Free KTa0.5Nb0.5O3 Crystal

    NASA Astrophysics Data System (ADS)

    Yang, Wenlong; Wang, Li; Lin, Jiaqi; Li, Xiaokang; Xiu, Hanjiang; Shen, Yanqing

    2016-07-01

    The structural and electronic properties of lead-free potassium tantalite niobate KTa0.5Nb0.5O3 (KTN) with A site vacancies V_{{K}}0 , V_{{K}}^{1 - } and oxygen vacancies V_{{O}}0 , V_{{O}}^{2 + } , were investigated by first-principles calculations, which indicated that A site vacancies V_{{K}}0 are likely to form in the KTN compared with V_{{K}}^{1 - } , and oxygen vacancies V_{{O}}^{2 + } are likely to form compared with V_{{O}}0 in the KTN according to the investigation of formation energy. The results show that K and O vacancies have significant influence on the atomic interactions of the atoms and the electronic performance of the materials. And Ta atoms are more easily influenced by the K and O vacancies than the Nb atoms from the atomic displacements in KTN with K and O vacancies. The investigation of density of state indicates that the compensation of electrons in KTN with vacancies make the hybridization become stronger among Ta d, Nb d and O p orbitals. Besides, Mulliken population of all the Ta and Nb atoms in KTN with charged vacancies are influenced by complement electrons. The strength of the Nb-O bond is stronger than Ta-O based on the changes of bond lengths and Mulliken population.

  20. Metastable bcc phase formation in the Nb-Cr system

    SciTech Connect

    Thoma, D.J.; Schwarz, R.B.; Perepezko, J.H.; Plantz, D.H.

    1993-08-01

    Extended metastable bcc solid solutions of Nb-Xat.%Cr (X = 35, 50, 57, 77, 82, and 94) were synthesized by two-anvil splat-quenching. In addition, bcc (Nb-67at.%Cr) was prepared by mechanically alloying mixtures of niobium and chromium powders. The lattice parameters were measured by X-ray diffraction and the Young`s moduli were measured by low-load microindentation. The composition dependence of the lattice parameters and elastic moduli show a positive deviation with respect to a rule of mixtures. During continuous heating at 15C/min., the metastable precursor bcc phases decomposed at temperatures above 750C to uniformly refined microstructures.

  1. Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4?, Nb5?)

    SciTech Connect

    Balasubramanian, K; Majumdar, D

    2004-05-06

    Geometries and energy separations of the various low-lying electronic states of Nb{sub n} and Nb{sub n}{sup -} (n = 4, 5) clusters with various structural arrangements have been investigated. The complete active space multi-configuration self-consistent field (CASMCSCF) method followed by multi-reference singles and doubles configuration interaction (MRSDCI) calculations that included up to 52 million configuration spin functions have been used to compute several electronic states of these clusters. The ground states of both Nb{sub 4} ({sup 1}A', pyramidal) and Nb{sub 4}{sup -} ({sup 2}B{sub 3g}, rhombus) are low-spin states at the MRSDCI level. The ground state of Nb{sub 5} cluster is a doublet with a distorted trigonal bipyramid (DTB) structure. The anionic cluster of Nb{sub 5} has two competitive ground states with singlet and triplet multiplicities (DTB). The low-lying electronic states of these clusters have been found to be distorted due to Jahn-Teller effect. On the basis of the energy separations of our computed electronic states of Nb{sub 4} and Nb{sub 5}, we have assigned the observed photoelectron spectrum of Nb{sub n}{sup -}(n = 4, 5) clusters. We have also compared our MRSDCI results with density functional calculations. The electron affinity, ionization potential, dissociation and atomization energies of Nb{sub 4} and Nb{sub 5} have been calculated and the results have been found to be in excellent agreement with the experiment.

  2. Facile synthesis and characterization of hexagonal NbSe{sub 2} nanoplates

    SciTech Connect

    Zhang, Xianghua; Zhang, Du; Tang, Hua; Ji, Xiaorui; Zhang, Yi; Tang, Guogang; Li, Changsheng

    2014-05-01

    Graphical abstract: - Highlights: • Uniform hexagonal NbSe{sub 2} nanoplates were prepared by a simple solid state reaction. • The possible formation mechanism of the NbSe{sub 2} nanoplates was discussed. • The formation of NbSe{sub 2} nanoplates undergoes a series of phase transition. - Abstract: The NbSe{sub 2} nanoplates with hexagonal morphology have been successfully prepared by a facile, environmentally friendly reaction in closed reactor at moderate temperature. The thermal (750 °C) solid-state reaction between the ball-milled mixture of micro-sized Nb and Se yielded a high yield of NbSe{sub 2} nanoplates. The as-prepared products were characterized by XRD, EDS, and SEM. The results showed that the as-prepared products were hexagonal phase NbSe{sub 2} nanoplates with uniform sizes and the formation of NbSe{sub 2} nanoplates underwent a series of phase transition. On the basis of experimental results obtained at different temperatures, a reasonable reaction process and a formation mechanism were proposed. Moreover, the ball milling time played a crucial role in acquiring the homogeneous distribution nanoplates.

  3. Nb(x)Ti(1-x)N Superconducting-Nanowire Single-Photon Detectors

    NASA Technical Reports Server (NTRS)

    Stem, Jeffrey A.; Farr, William H.; Leduc, Henry G.; Bumble, Bruce

    2008-01-01

    Superconducting-nanowire singlephoton detectors (SNSPDs) in which Nb(x)Ti(1-x)N (where x<1) films serve as the superconducting materials have shown promise as superior alternatives to previously developed SNSPDs in which NbN films serve as the superconducting materials. SNSPDs have potential utility in optical communications and quantum cryptography. Nb(x)Ti(1-x)N is a solid solution of NbN and TiN, and has many properties similar to those of NbN. It has been found to be generally easier to stabilize NbxTi1 xN in the high-superconducting-transitiontemperature phase than it is to so stabilize NbN. In addition, the resistivity and penetration depth of polycrystalline films of Nb(x)Ti(1-x)N have been found to be much smaller than those of films of NbN. These differences have been hypothesized to be attributable to better coupling at grain boundaries within Nb(x)Ti(1-x)N films.

  4. Fabrication of fine-grain tantalum diffusion barrier tube for Nb{sub 3}Sn conductors

    SciTech Connect

    Hartwig, K. T.; Balachandran, S.; Mezyenski, R.; Seymour, N.; Robinson, J.; Barber, R. E.

    2014-01-27

    Diffusion barriers used in Nb{sub 3}Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy.

  5. Measurements of the cross section for the (182)W(n,p)(182(m+g))Ta and (184)(n,p)(184)Ta reactions in the 14MeV energy range using the activation technique.

    PubMed

    Song, Yueli; Zhou, Fengqun; Tian, Mingli; Li, Yong; Yuan, Shuqing; Lan, Changlin

    2015-04-01

    The cross section for the (182)W(n,p)(182(m+g))Ta and (184)W(n,p)(184)Ta reactions has been measured in the neutron energy range of 13.5-14.7MeV using the activation technique and a coaxial HPGe γ-ray detector. In our experiment, the fast neutrons were produced by the T(d,n)(4)He reaction at the ZF-300-II Intense Neutron Generator at Lanzhou University. Natural wolfram foils of 99.9% purity were used as target materials. The neutron flux was determined using the monitor reaction (93)Nb(n,2n)(92m)Nb and the neutron energies were determined using the method of cross-section ratio measurements employing the (90)Zr(n,2n)(89)Zr to (93)Nb(n,2n)(92m)Nb reactions. The results of this work are compared with experimental data found in the literature and the estimates obtained from a published empirical formula based on the statistical model with Q-value dependence and odd-even effects taken into consideration.

  6. 78 FR 28627 - TA-W-80,340; TA-W-80,340A; TA-W-80,340B

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-15

    ... Employment and Training Administration TA-W-80,340; TA-W-80,340A; TA-W-80,340B] Bush Industries, Inc., Mason... (TA-W-80,340) and Bush Industries, Inc., Allen Street Facility, Jamestown, New York (TA-W- 80,340A... the subject firm's Erie, Pennsylvania facility. The amended notice applicable to TA-W-80,340 is...

  7. On the Nb-Ge Binary System

    NASA Astrophysics Data System (ADS)

    Papadimitriou, Ioannis; Utton, Claire; Tsakiropoulos, Panos

    2015-12-01

    First-principles calculations were used to study intermetallic compounds in the Nb-Ge system, to gain a better understanding of the phase diagram and resolve conflicts reported in the literature. The enthalpy of formation with regard to temperature was calculated for all the intermetallic compounds, to investigate phase stabilities and phase equilibria at low and elevated temperatures. These results, combined with the electronic DOS, suggest that the tI32 (W5Si3-type) Nb5Ge3 and NbGe2 compounds are stable over the whole temperature range. The stoichiometric cP8 Nb3Ge becomes stable close to its melting temperature. Regarding different compositions of the cP8 Nb3Ge, the calculations suggest the (Nb)0.75(Nb,Ge)0.25 model for the Nb3Ge phase instead of the proposed model, (Nb)0.75(Nb,Ge,Va)0.25, where Va represents vacancy. The calculations show that the tI32 (Cr5B3-type) Nb5Ge3, hP16 (Mn5Si3-type) Nb5Ge3 and Nb10Ge7 compounds should be considered metastable. The elastic constants, bulk, shear, and Young's modulus, Poisson's ratio, and Debye temperature of the Nb, Ge, cP8 Nb3Ge, tP32 Nb3Ge, tI32 (Cr5B3-type) Nb5Ge3, tI32 (W5Si3-type) Nb5Ge3, hP16 (Mn5Si3-type) Nb5Ge3, Nb10Ge7 and NbGe2 were calculated. These phases were found to be mechanically stable. Using the Cauchy pressure, Pugh's index of ductility, and the Poisson's ratio as criteria, the calculations suggest that the tI32 (Cr5B3-type) Nb5Ge3 and NbGe2 intermetallics should be brittle (with the latter being the most brittle) and the cP8 Nb3Ge, tP32 Nb3Ge, hP16 Nb5Si3 and Nb10Ge7 ductile (with cP8 Nb3Ge being the most ductile).

  8. Synthesis of Ti-Ta alloys with dual structure by incomplete diffusion between elemental powders.

    PubMed

    Liu, Yong; Li, Kaiyang; Wu, Hong; Song, Min; Wang, Wen; Li, Nianfeng; Tang, Huiping

    2015-11-01

    In this work, powder metallurgical (PM) Ti-Ta alloys were sintered using blended elemental powders. A dual structure, consisting of Ti-rich and Ta-rich zones, was formed due to the insufficient diffusion between Ti and Ta powders. The microstructure, mechanical properties and in vitro biological properties of the alloys were studied. Results indicated that the alloys have inhomogenous microstructures and compositions, but the grain structures were continuous from the Ti-rich zone to the Ta-rich zone. The Ta-rich zone exhibited a much finer grain size than the Ti-rich zone. The alloys had a high relative density in the range of 95-98%, with the porosity increasing with the content of Ta due to the increased difficulty in sintering and the formation of Kirkendall pores. The alloys had a good combination of low elastic modulus and high tensile strength. The strength of alloys was almost doubled compared to that of the ingot metallurgy alloys with the same compositions. The low elastic modulus was due to the residual pores and the alloying effect of Ta, while the high tensile strength resulted from the strengthening effects of solid solution, fine grain size and α phase. The alloys had a high biocompatibility due to the addition of Ta, and were suitable for the attachment of cells due to the surface porosity. It was also indicated that PM Ti-(20-30)Ta alloys are promising for biomedical applications after the evaluations of both the mechanical and the biological properties. PMID:26275506

  9. Synthesis of Ti-Ta alloys with dual structure by incomplete diffusion between elemental powders.

    PubMed

    Liu, Yong; Li, Kaiyang; Wu, Hong; Song, Min; Wang, Wen; Li, Nianfeng; Tang, Huiping

    2015-11-01

    In this work, powder metallurgical (PM) Ti-Ta alloys were sintered using blended elemental powders. A dual structure, consisting of Ti-rich and Ta-rich zones, was formed due to the insufficient diffusion between Ti and Ta powders. The microstructure, mechanical properties and in vitro biological properties of the alloys were studied. Results indicated that the alloys have inhomogenous microstructures and compositions, but the grain structures were continuous from the Ti-rich zone to the Ta-rich zone. The Ta-rich zone exhibited a much finer grain size than the Ti-rich zone. The alloys had a high relative density in the range of 95-98%, with the porosity increasing with the content of Ta due to the increased difficulty in sintering and the formation of Kirkendall pores. The alloys had a good combination of low elastic modulus and high tensile strength. The strength of alloys was almost doubled compared to that of the ingot metallurgy alloys with the same compositions. The low elastic modulus was due to the residual pores and the alloying effect of Ta, while the high tensile strength resulted from the strengthening effects of solid solution, fine grain size and α phase. The alloys had a high biocompatibility due to the addition of Ta, and were suitable for the attachment of cells due to the surface porosity. It was also indicated that PM Ti-(20-30)Ta alloys are promising for biomedical applications after the evaluations of both the mechanical and the biological properties.

  10. Charge transfer in AuTa alloys: double resonance at the Au and Ta L 2, 3-edge

    NASA Astrophysics Data System (ADS)

    Sammynaiken, R.; Kuhn, M.; Sham, T. K.

    1995-02-01

    Charge redistribution in AuTa alloys has been studied with both Au and Ta L 2, 3-edge XANES for AuTa, AuTa 2 and AuTa 3. Emphasis is placed on the relative intensity of the whiteline which probes the change in d-hole count at both Au and Ta sites. It is found that all Au L 2, 3-edge XANES exhibit an appreciable whiteline of which the intensity increases as Au becomes more dilute in Ta while the Ta L 2, 3-edge whiteline intensity increases also as Ta becomes more dilute. These results are compared with core-level photoemission measurements.

  11. Effects of sintering aid CuTa{sub 2}O{sub 6} on piezoelectric and dielectric properties of sodium potassium niobate ceramics

    SciTech Connect

    Yang, Song-Ling; Tsai, Cheng-Che; Hong, Cheng-Shong; Chu, Sheng-Yuan

    2012-04-15

    Graphical abstract: NKN ceramics with a sintering aid CuTa{sub 2}O{sub 6} (CT) doping increased the mechanical quality factor (Q{sub m}) and electromechanical coupling factor (k{sub p}). Highlights: Black-Right-Pointing-Pointer A new sintering aid CuTa{sub 2}O{sub 6} was developed to dope into NKN ceramics. Black-Right-Pointing-Pointer Dense NKN ceramics were obtained as CuTa{sub 2}O{sub 6} compound doping. Black-Right-Pointing-Pointer We find the soluble limit of CuTa{sub 2}O{sub 6} compound incorporated into NKN ceramics. Black-Right-Pointing-Pointer The maximum Q{sub m} and k{sub p} values were more than 1500 and 42%, respectively. Black-Right-Pointing-Pointer CuTa{sub 2}O{sub 6} compound is a better sintering aid compared with K{sub 5.3}Cu{sub 1.3}Ta{sub 10}O{sub 29}. -- Abstract: In this study, the effects of a sintering aid CuTa{sub 2}O{sub 6} (CT) on (Na{sub 0.5}K{sub 0.5})NbO{sub 3} (NKN) ceramics were investigated. The diffracted angles in XRD profiles decreased because the Nb-sites were replaced by Cu and Ta ions, causing the expansion of lattice volume. SEM images showed smaller grain sizes at a low concentration of CuTa{sub 2}O{sub 6}, and grain sizes increased as the concentration of CuTa{sub 2}O{sub 6} doping increased because of a liquid phase formed. When CuTa{sub 2}O{sub 6} dopants were doped into NKN ceramics, the T{sub O-T} and T{sub c} phase transitions decreased because the replacement of Ta{sup 5+} ions in the B-site. A high bulk density (4.595 g/cm{sup 3}) and electromechanical coupling factor (k{sub p}, k{sub t}) were enhanced when CT dopants were doped into NKN ceramics. Moreover, the mechanical quality factor (Q{sub m}) also increased from 67 to 1550. NKN ceramics with sintering aid CuTa{sub 2}O{sub 6} doping showed excellent piezoelectric properties: k{sub p}: 42.5%; k{sub t}: 49.1%; Q{sub m}: 1550; and d{sub 33}: 96 pC/N.

  12. Investigation of dielectric properties of La0.33NbO3 ceramics

    NASA Astrophysics Data System (ADS)

    Mondal, Tanusree; Sarun, P. M.; Das, Sayantani; Sinha, T. P.

    2015-06-01

    La0.33NbO3 ceramics was prepared via conventional solid-state reaction method. Structural analysis show the existence of single phase of La0.33NbO3 has been synthesized with an average particle size of 2 µm - 4 µm estimated from FESEM image. Detailed investigation on the dielectric properties and AC conductivity of the La0.33NbO3 ceramics in a wide range of frequency (800 Hz - 5 MHz) and temperatures (30 °C - 300 °C) revealed that these properties are strongly temperature and frequency dependent.

  13. Synthesis of superconducting Nb3Sn coatings on Nb substrates

    DOE PAGES

    Barzi, E.; Franz, S.; Reginato, F.; Turrioni, D.; Bestetti, M.

    2015-12-01

    In the present work the electrochemical and thermal syntheses of superconductive Nb3Sn films are investigated. The Nb3Sn phase is obtained by electrodeposition of Sn layers and Cu intermediate layers onto Nb substrates followed by high temperature diffusion in inert atmosphere. Electrodeposition was performed from aqueous solutions at current densities in the 20 to 50 mA/cm2 range and at temperatures between 40 and 50°C. Subsequent thermal treatments were realized to obtain the Nb3Sn superconductive phase. Glow discharge optical emission spectrometry (GDOES) demonstrated that after thermal treatment interdiffusion of Nb and Sn occurred across a thickness of about 13 μm. Scanning Electronmore » Microscopy (SEM) allowed accurately measuring the thickness of the Nb3Sn phase, whose average for the various types of film samples was between 5.7 and 8.0 μm. X-ray diffraction (XRD) patterns confirmed the presence of a cubic Nb3Sn phase (A15 structure) having (210) preferred orientation. The maximum obtained Tc was 17.68 K and the Bc20 ranged between 22.5 T and 23.8 T. With the procedure described in the present paper, coating complex shapes cost-effectively becomes possible, which is typical of electrochemical techniques. Furthermore, this approach can be implemented in classical wire processes such as "Jelly Roll" or "Rod in Tube", or directly used for producing superconducting surfaces. In conclusion, the potential of this method for Superconducting Radiofrequency (SRF) structures is also outlined.« less

  14. STUDY ON SYNTHESIS AND EVOLUTION OF NANOCRYSTALLINE Mg4Ta2O9 BY AQUEOUS SOL-GEL PROCESS

    NASA Astrophysics Data System (ADS)

    Wu, H. T.; Yang, C. H.; Wu, W. B.; Yue, Y. L.

    2012-06-01

    Nanosized and highly reactive Mg4Ta2O9 were successfully synthesized by aqueous sol-gel method compared with conventional solid-state method. Ta-Mg-citric acid solution was first formed and then evaporated resulting in a dry gel for calcination in the temperature ranging from 600°C to 800°C for crystallization in oxygen atmosphere. The crystallization process from the gel to crystalline Mg4Ta2O9 was identified by thermal analysis and phase evolution of powders was studied using X-ray diffraction (XRD) technique during calcinations. Particle size and morphology were examined by transmission electron microscopy (TEM) and high resolution scanning electron microscopy (HR-SEM). The results revealed that sol-gel process showed great advantages over conventional solid-state method and Mg4Ta2O9 nanopowders with the size of 20-30 nm were obtained at 800°C.

  15. Cr{sub 2}Nb-based alloy development

    SciTech Connect

    Liu, C.T.; Tortorelli, P.F.; Horton, J.A.

    1995-06-01

    The objective of this task is to develop a new generation of structural materials based on intermetallic alloys for use as critical hot components in advanced fossil energy conversion systems. The intermetallic phase, Cr{sub 2}Nb, with a complex cubic structure (C-15) has been selected for this development because of its high melting point (1770{degrees}C), relatively low material density (7.7 g/cm{sup 2}), excellent high-temperature strength (at 1000 to 1250{degrees}C), and potential resistance to oxidation and corrosion. This intermetallic phase, like many other Laves phases, has a wide range of compositional homogeneity suggesting the possibility of improving its mechanical and metallurgical properties by alloying additions. The major engineering concern with Cr{sub 2}Nb and other A{sub 2}B Laves phases is their poor fracture toughness and fracture resistance at ambient temperatures. The single-phase Cr{sub 2}Nb is very hard ({approximately}800 DPH) and brittle at room temperature. Because of this brittleness, the development effort has concentrated on two-phase structures containing the hard intermetallic phase Cr{sub 2}Nb and the softer Cr-rich solid solution phase. Potential applications of Cr-Cr{sub 2}Nb alloys include hot components (for example, air heat exchangers and turbine blades) in advanced energy conversion systems and heat engines, wear-resistant parts in coal handling systems (e.g., nozzles), drill bits for oil/gas wells, and valve guides in diesel engines. Current studies are focuses on enhancement of fracture resistance in tension at ambient temperatures and oxidation resistance above 1000{degrees}C. This report summarizes recent progress on controlling microstructure and improving the mechanical and metallurgical properties and the high-temperature corrosion behavior of Cr-Cr{sub 2}Nb alloys through alloying conditions, material processing, and heat treatment.

  16. Magneto-optic measurements of the Weyl semimetal NbAs

    NASA Astrophysics Data System (ADS)

    Armstrong, Nathan; Shao, Yinming; Yuan, Zhujun; Jia, Shuang; Basov, D. N.; Timusk, Thomas

    NbAs is among the newly discovered Weyl semimetals that are of great interest because they have the potential to confirm the chiral anomaly predicted by particle physics. It has been theorized that two separated Weyl nodes of opposite chirality can have a chiral current flow between them with the application electric and magnetic fields parallel to the displacement of the nodes. Indeed, magnetoresistance measurements on TaAs and NbAs found a negative magnetoresistance with these fields. ARPES and band structure calculations show that NbAs has two different groups of Weyl nodes with all the node splittings in kx -ky planes. In addition to the Weyl nodes there are other trivial bands that create Fermi pockets elsewhere in the BZ that are also observed in reflectance measurements. We will present magneto-optics results from far infrared optical data of NbAs in Voigt geometry up to 8 Tesla. In the far infrared at large fields there are two strong features that show an 11% and 3% change of reflectance in field at 60 and 480 cm-1 , respectively. We evaluate these data with comparison to the above mentioned band structure of NbAs.

  17. Josephson Coupling in Nb/SmB6/Nb Junctions

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaohang; Lee, Seunghun; Drisko, Jasper; Cumings, John; Greene, Richard; Takeuchi, Ichiro

    Josephson coupling of superconductors through a topological surface has attracted considerable attention because it may provide device applications of topological insulators with implications for Majorana fermions. However, the results of previous Josephson junction studies on topological insulators have not been fully understood due to complications arising from the conducting bulk and the non-pristine nature of the surfaces/interfaces of the topological insulator materials used. In this work, SmB6 thin films with a highly insulating bulk were adopted to minimize the influence of the bulk carriers while in-situ deposition of Nb film on SmB6 surface was used to ensure the interface quality. The bilayer structure was then patterned into Nb/SmB6/Nb lateral junctions by e-beam lithography and ion milling. The Nb electrodes in our junctions had a typical width of ~1 μm and the gap between the two Nb electrodes was varied from 50 nm to 200 nm. A critical current up to 40 μA has been observed in junctions with a gap around 50 nm at 2.0 K. In this talk, I will discuss the implication of our results to the desired Josephson coupling through topological surface states. This work was supported by NSF under Grant No. DMR-1410665 and conducted at CNAM and at the Maryland NanoCenter.

  18. Evidence for weak ferromagnetism, isostructural phase transition, and linear magnetoelectric coupling in the multiferroic Bi0.8Pb0.2Fe0.9Nb0.1O3 solid solution

    NASA Astrophysics Data System (ADS)

    Patel, Jay Prakash; Senyshyn, Anatoliy; Fuess, Hartmut; Pandey, Dhananjai

    2013-09-01

    Magnetization, dielectric, and calorimetric studies on Bi0.8 Pb0.2 Fe0.9 Nb0.1O3 (BF-0.2PFN) reveal very weak ferromagnetism but strong dielectric anomaly at the antiferromagnetic transition temperature (TN) characteristic of magnetoelectric coupling. We correlate these results with nuclear and magnetic structure studies using x-ray and neutron powder diffraction techniques, respectively. Rietveld refinements using x-ray powder diffraction data in the temperature range 300 to 673 K reveal pronounced anomalies in the unit cell parameters at TN, indicating strong magnetoelastic coupling. The nuclear and magnetic structures of BF-0.2PFN were determined from neutron powder diffraction data using a representation theory approach. They show the occurrence of a first-order isostructural phase transition (IPT) accompanying the magnetic ordering below TN˜566 K, leading to significant discontinuous change in the ionic polarization (ΔPz˜1.6(3) μC/cm2) and octahedral tilt angle (˜0.3°) at TN. The ionic polarization obtained from refined positional coordinates of the nuclear structure and Born effective charges is shown to scale linearly with sublattice magnetization, confirming the presence of linear magnetoelectric coupling in BF-0.2PFN at the atomic level, despite the very low value of remanent magnetization (Mr).

  19. Safety assessment for TA-48 radiochemical operations

    SciTech Connect

    1994-08-01

    The purpose of this report is to document an assessment performed to evaluate the safety of the radiochemical operations conducted at the Los Alamos National Laboratory operations area designated as TA-48. This Safety Assessment for the TA-48 radiochemical operations was prepared to fulfill the requirements of US Department of Energy (DOE) Order 5481.1B, ``Safety Analysis and Review System.`` The area designated as TA-48 is operated by the Chemical Science and Technology (CST) Division and is involved with radiochemical operations associated with nuclear weapons testing, evaluation of samples collected from a variety of environmental sources, and nuclear medicine activities. This report documents a systematic evaluation of the hazards associated with the radiochemical operations that are conducted at TA-48. The accident analyses are limited to evaluation of the expected consequences associated with a few bounding accident scenarios that are selected as part of the hazard analysis. Section 2 of this report presents an executive summary and conclusions, Section 3 presents pertinent information concerning the TA-48 site and surrounding area, Section 4 presents a description of the TA-48 radiochemical operations, and Section 5 presents a description of the individual facilities. Section 6 of the report presents an evaluation of the hazards that are associated with the TA-48 operations and Section 7 presents a detailed analysis of selected accident scenarios.

  20. Field investigations of soils at TA-19, TA-26, TA-73 and TA-0, SWMU aggregate 0-D and 016

    SciTech Connect

    McFadden, L.D.

    1995-03-01

    Field based investigations of the general soil-geomorphic characteristics were carried out at TA-19, -26, -73, -0, Aggregate 0-D and -016 in order to provide information for utilization in ongoing and anticipated LANL ERP (Environmental Restoration Project) activities at these sites. These investigations show that soils exhibiting diverse morphologic character, varying ages, and relations to landforms characterize these sites. A review of recent and ongoing soils studies also shows that soil textural, chemical, and mineralogical characteristics may profoundly influence the migration and/or retardation of a variety of potential contaminants initially placed in direct contact with soils, or that encounter soils during subsurface percolation or discharge. Soil-geomorphic relations also provide important insights into recent site erosion, deposition or other surficial processes that must, be considered as part of environmental assessment of a given site and remediation; and, the planned geomorphic mapping activities at each site, as well as other associated activities (e.g, geophysical survey, site sampling) are accordingly appropriate and necessary with respect to identification of significant soil relations at each site. Specific and general recommendations in consideration of important findings regarding the possible impacts of soil development of the nature of contaminant behavior at various sites are provided to help guide sampling and analysis activities during ERP investigations outlined in the RFI Work Plan for Operational Unit-1071.

  1. Ge{sub x}NbSe{sub 2} and Ge{sub x}NbS{sub 2} intercalation compounds

    SciTech Connect

    Kars, Mohammed; Gomez-Herrero, A.; Rebbah, Allaoua; Otero-Diaz, L.C.

    2009-07-01

    The structures of two intercalation compounds, Ge{sub {approx}0.2}NbSe{sub 2} and Ge{sub {approx}0.3}NbS{sub 2} were investigated by single crystal X-ray diffraction and electron microscopy (selected area electron diffraction (SAED), high resolution electron microscopy (HRTEM) and X-ray microanalysis by energy dispersive spectroscopy (XEDS)). Crystal structure determinations of the average structure of the intercalation compounds 2H-Ge{sub 0.217}NbSe{sub 2} and 4H-Ge{sub 0.288}NbS{sub 2} are reported: the selenide compound crystallizes in the space group P6{sub 3}/mmc with a = 3.4560(9) A and c = 12.966(3) A and adopts the 2H-NbSe{sub 2} structure-type, while the sulfide compound crystallizes in the P6{sub 3}mc space group, with a = 3.3392(9) A and c = 25.404(7) A with a structure-type 4H{sub c}-NbS{sub 2} which it is known for TaSe{sub 2}. In both structures the germanium atoms are located in the empty octahedral positions of the van der Waals gap between the NbX{sub 2} (X = S, Se) layers. Electron diffraction patterns from several Ge{sub x}NbSe{sub 2} crystal flakes show different superstructures and exhibit diffracted diffuse intensity: weak satellites corresponding to a{sub 0}{radical}(3)xa{sub 0}{radical}(3) and 2a{sub 0} x 2a{sub 0} superstructures were observed for x {approx} 0.15 (a{sub 0} is the basal lattice parameter of the host structure). For x {approx} 0.25-0.33, the same type of satellite is observed with a stronger intensity. For x {approx} 0.5 only satellites corresponding to the a{sub 0}{radical}(3)xa{sub 0}{radical}(3) superstructure were present. In the case of Ge{sub x}NbS{sub 2}, with 0.10 < x < 0.25, the germanium atoms are ordered in domains with an a{sub 0}{radical}(3)xa{sub 0}{radical}(3) superstructure. In some crystals disorder along the c-axis has been observed.

  2. Electrical and optical properties of Ta-Si-N thin films deposited by reactive magnetron sputtering

    SciTech Connect

    Oezer, D.; Sanjines, R.; Ramirez, G.; Rodil, S. E.

    2012-12-01

    consistent description of the evolution of the Ta-Si-N system from a solid solution to a nanocomposite material due to the addition of Si atoms.

  3. Photoelectron Spectroscopy Study of [Ta2B6]-: a Hexagonal Bipyramdial Cluster

    NASA Astrophysics Data System (ADS)

    Jian, Tian; Li, Weili; Romanescu, Constantin; Wang, Lai-Sheng

    2014-06-01

    It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.[1,2] Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid-state chemistry.[3] Herein we report a joint photoelectron spectroscopy and theoretical study on the [Ta2B6]- and [Ta2B6] clusters.[4] The photoelectron spectrum of [Ta2B6]- displays a simple spectral pattern and a large HOMO-LUMO gap, suggesting its high symmetry. Theoretical calculations show that both the neutral and anion are D6h pyramidal. The chemical bonding analyses for [Ta2B6] revealed the nature of the B6 and Ta interactions and uncovered strong covalent bonding between B6 and Ta. The D6h-[TaB6Ta] gaseous cluster is reminiscent of the structural pattern in the ReB6X6Re core in the [(Cp*Re)2B6H4Cl2] and the TiB6Ti motif in the newly synthesized Ti7Rh4Ir2B8 solid-state compound.[5,6] The current work provides an intrinsic link between a gaseous cluster and motifs for solid materials. Continued investigations of the transition-metal boron clusters may lead to the discovery of new structural motifs involving pure boron clusters for the design of novel boride materials. Reference [1] H.W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162 - 163. [2] W. Krtschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 1990, 347, 354 - 358. [3] T. P. Fehlner, J.-F. Halet, J.-Y. Saillard, Molecular Clusters: A Bridge to Solid-State Chemitry, Cambridge University Press, UK, 2007. [4] W. L. Li, L. Xie, T. Jian, C. Romanescu, X. Huang, L.-S. Wang, Angew. Chem. Int. Ed. 2014, 126, 1312 - 1316. [5] B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, S. Ghosh, M. Shang, A. M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203 - 3217. [6] B. P. T. Fokwa, M. Hermus, Angew

  4. Preparation and investigation of the quaternary alloy CuTaInSe{sub 3}

    SciTech Connect

    Grima-Gallardo, P. Munoz, M.; Duran, S.; Delgado, G.E.; Quintero, M.; Ruiz, J.

    2007-12-04

    Polycrystalline samples of the quaternary alloy CuTaInSe{sub 3} were prepared by the usual melt and anneal technique. The analysis of the diffraction pattern indicates a single phase which indexes as a tetragonal chalcopyrite-like structure with lattice parameters a = 5.7837 {+-} 0.0002 A; c = 11.6208 {+-} 0.0007 A and V = 389 {+-} 1 A{sup 3}. Differential thermal analysis shows that the melting transition of CuTaInSe{sub 3} is incongruent with large liquid + solids regions.

  5. Protective interlayer for high temperature solid electrolyte electrochemical cells

    DOEpatents

    Singh, P.; Vasilow, T.R.; Richards, V.L.

    1996-05-14

    The invention is comprised of an electrically conducting doped or admixed cerium oxide composition with niobium oxide and/or tantalum oxide for electrochemical devices, characterized by the general formula: Nb{sub x}Ta{sub y}Ce{sub 1{minus}x{minus}y}O{sub 2} where x is about 0.0 to 0.05, y is about 0.0 to 0.05, and x+y is about 0.02 to 0.05, and where x is preferably about 0.02 to 0.05 and y is 0, and a method of making the same is also described. This novel composition is particularly applicable in forming a protective interlayer of a high temperature, solid electrolyte electrochemical cell, characterized by a first electrode; an electrically conductive interlayer of niobium and/or tantalum doped cerium oxide deposited over at least a first portion of the first electrode; an interconnect deposited over the interlayer; a solid electrolyte deposited over a second portion of the first electrode, the first portion being discontinuous from the second portion; and, a second electrode deposited over the solid electrolyte. The interlayer is characterized as being porous and selected from the group consisting of niobium doped cerium oxide, tantalum doped cerium oxide, and niobium and tantalum doped cerium oxide or admixtures of the same. The first electrode, an air electrode, is a porous layer of doped lanthanum manganite, the solid electrolyte layer is a dense yttria stabilized zirconium oxide, the interconnect layer is a dense, doped lanthanum chromite, and the second electrode, a fuel electrode, is a porous layer of nickel-zirconium oxide cermet. The electrochemical cell can take on a plurality of shapes such as annular, planar, etc. and can be connected to a plurality of electrochemical cells in series and/or in parallel to generate electrical energy. 5 figs.

  6. Protective interlayer for high temperature solid electrolyte electrochemical cells

    DOEpatents

    Singh, Prabhakar; Vasilow, Theodore R.; Richards, Von L.

    1996-01-01

    The invention comprises of an electrically conducting doped or admixed cerium oxide composition with niobium oxide and/or tantalum oxide for electrochemical devices, characterized by the general formula: Nb.sub.x Ta.sub.y Ce.sub.1-x-y O.sub.2 where x is about 0.0 to 0.05, y is about 0.0 to 0.05, and x+y is about 0.02 to 0.05, and where x is preferably about 0.02 to 0.05 and y is 0, and a method of making the same. This novel composition is particularly applicable in forming a protective interlayer of a high temperature, solid electrolyte electrochemical cell (10), characterized by a first electrode (12); an electrically conductive interlayer (14) of niobium and/or tantalum doped cerium oxide deposited over at least a first portion (R) of the first electrode; an interconnect (16) deposited over the interlayer; a solid electrolyte (18) deposited over a second portion of the first electrode, the first portion being discontinuous from the second portion; and, a second electrode (20) deposited over the solid electrolyte. The interlayer (14) is characterized as being porous and selected from the group consisting of niobium doped cerium oxide, tantalum doped cerium oxide, and niobium and tantalum doped cerium oxide or admixtures of the same. The first electrode (12), an air electrode, is a porous layer of doped lanthanum manganite, the solid electrolyte layer (18) is a dense yttria stabilized zirconium oxide, the interconnect layer (16) is a dense, doped lanthanum chromite, and the second electrode (20), a fuel electrode, is a porous layer of nickel-zirconium oxide cermet. The electrochemical cell (10) can take on a plurality of shapes such as annular, planar, etc. and can be connected to a plurality of electrochemical cells in series and/or in parallel to generate electrical energy.

  7. Highly flexible, mechanically robust superconducting wire consisting of NbN-carbon-nanotube nanofibril composites

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Gyun; Kang, Haeyong; Kim, Joonggyu; Lee, Young Hee; Suh, Dongseok

    A flexible superconducting fiber is prepared by twisting carbon nanotube (CNT) sheets coated with sputter-deposited niobium nitride (NbN) layer to form the shape of yarn. Twisted CNT yarn, which has been extensively studied due to its high flexibility as well as excellent mechanical properties, and NbN, which is a superconducting material with high transition temperature (Tc) and critical magnetic field (Hc), are combined together by the deposition of NbN layer on free-standing CNT-sheet substrate followed by the biscrolling process. We tried many experimental conditions to investigate the superconducting properties of NbN-CNT yarn as a function of NbN thickness and number of CNT-sheet layers, and found out that the superconducting property of NbN on CNT-sheet can be comparable to that of NbN thin film on the normal solid substrate. In addition, the superconducting property survived even under the condition of severe mechanical deformation such as knotting. These results show the potential application of this technology as a large-scale fabrication method of flexible, mechanically robust, high performance superconducting wire. This work is supported by the Institute for Basic Science (IBS-R011-D1), and by the National Research Foundation (BSR-2013R1A1A1076063) funded by the Ministry of Science, ICT & Future Planning, Republic of Korea.

  8. THERMODYNAMIC PROPERTIES OF MC (M = V, Nb, Ta): FIRST-PRINCIPLES CALCULATIONS

    NASA Astrophysics Data System (ADS)

    Cao, Yong; Zhu, Jingchuan; Liu, Yong; Long, Zhishen

    2013-07-01

    Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.

  9. Geologic setting and mineralization of the Kougarok Sn(Ta-Nb) deposit, seaward peninsula, Alaska

    SciTech Connect

    Puchner, C.C.

    1985-01-01

    The Kougarok tin (tantalum-niobium) deposit is located in the north-central Seward Peninsula, roughly 130 kilometers north of Nome, Alaska. Tin and tantalum-niobium mineralization occur within granitic dikes, subhorizontal sheets, plugs, and in schists adjacent to the granite bodies. Rb/Sr and K/Ar age determinations indicate the granites at Kougarok are late Cretaceous in age and coeval with other tin granites of the Seward Peninsula. The host rock to the granites at Kougarok is polydeformed pelitic schists of possible Precambrian age. Known mineralization occurs in four geologic settings: 1) within steep cylindrical pipes of greisenized granite; 2) in greisenized dikes; 3) in greisen along the roof zone of a subhorizontal granite sheet; and 4) as stringer zones in schists. Tin mineralization is known in all the above geologic environments and occurs dominantly as disseminated cassiterite in quartz+/-tourmaline+/-topaz greisen. Grades of significant tin mineralization range from 0.1 to 15 percent tin and average approximately 0.5 percent tin. Tantalum-niobium mineralization is confined to the roof greisen environment. Tantalite-columbite occurs as disseminated grains in white mica altered granite lateral to tin-bearing quartz-tourmaline greisen. Grades for both tantalum and niobium range from 0.02 to 0.05 percent.

  10. Instability and growth of nanoscale Ce0.8Gd0.2O1.9/NiO infiltrate in Sr0.94Ti0.9Nb0.1O3-Zr0.84Y0.16O1.92 anodes for solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Theil Kuhn, Luise; Stanley Jørgensen, Peter; Reddy Sudireddy, Bhaskar; Jonna Bentzen, Janet; Bernuy-Lopez, Carlos; Veltzé, Sune; Ramos, Tânia

    2014-07-01

    Microstructural evolution of Ce0.8Gd0.2O1.9/NiO (CGO/NiO) co-infiltrated nanoparticles in Sr0.94Ti0.9Nb0.1O3-Zr0.84Y0.16O1.92 (STN94-YSZ) anodes for solid oxide fuel cells (SOFCs) is investigated during electrochemical testing in a symmetric cell setup. The CGO/NiO infiltrated symmetric cells were subjected to varying atmospheres of H2O/H2 between 650 and 850 °C and characterized by electrochemical impedance spectroscopy. Analytical high resolution transmission electron microscopy showed that the CGO/NiO infiltrate was found to coalesce and grow from an indistinguishable CGO/NiO fluorite structure of an average diameter of 5 nm to individual well-connected, but phase-separated, CGO and Ni particles of 50 nm in average. This study confirms that instability and growth of CGO/NiO infiltrates in STN-based SOFC electrodes affect the morphology and can potentially be linked to reported losses in electrochemical performance.

  11. Solid-state conversion of (94-x)(Na1/2Bi1/2)TiO3-6BaTiO3-x(K1/2Na1/2)NbO3 single crystals and their enhanced converse piezoelectric properties

    NASA Astrophysics Data System (ADS)

    Park, Ji-Hoon; Kang, Suk-Joong L.

    2016-01-01

    (94-x)(Na1/2Bi1/2)TiO3-6BaTiO3-x(K1/2Na1/2)NbO3 (NBT-6BT-xKNN) piezoelectric ceramics have notable potential for replacing lead containing piezoelectric ceramics in actuator applications due to their exceptionally large strain. However, a high electric field for producing a large strain and a large hysteresis are critical issues that should be resolved for practical actuator applications. In an attempt to address these issues and optimize the piezoelectric performance, we fabricated NBT-6BT-xKNN (x = 0 - 5) piezoelectric single crystals with a size of 8 x 8x 10 mm by the solid-state single crystal growth method and systematically measured their electrical properties. With increased addition of KNN to replace NBT, the ferroelectricity and piezoelectricity of the fabricated [001] NBT-6BT-xKNN single crystals decreased, but their unipolar strain and hysteresis were considerably improved. For NBT-6BT-5KNN single crystals, the largest maximum strain (Smax) was 0.57% at 6 kV/mm, showing a converse piezoelectric constant (Smax/Emax) of 950 pm/V, and their hysteresis in the unipolar S-E curve was 12% at 6kV/mm, which would be appropriate for some actuator applications. Our results demonstrate the applicability of the produced single crystals as lead-free piezoelectric actuator components.

  12. Amorphous layer formation at the TaC/Cu interface in the Si/TaC/Cu metallization system

    NASA Astrophysics Data System (ADS)

    Laurila, Tomi; Zeng, Kejun; Kivilahti, Jorma K.; Molarius, Jyrki; Suni, Ilkka

    2002-02-01

    An amorphous Ta(O,C)x layer was found to form at the TaC/Cu interface in the Si/TaC/Cu metallization system. The formation of the layer was induced by oxygen trapped in the as-deposited films, since on the basis of thermodynamic evaluation of the ternary Ta-C-O system, the dissociation of the TaC layer and the formation of the Ta2O5 and graphite can be expected to occur during subsequent annealings in this case. However, as observed experimentally, the formation of the amorphous Ta(O,C)x preceded the formation of the stable tantalum oxide.

  13. Microstructural Characterization of U-Nb-Zr, U-Mo-Nb, and U-Mo-Ti Alloys via Electron Microscopy

    SciTech Connect

    A. Ewh; D. D. Keiser, Jr.; Y. H. Sohn

    2010-06-01

    Ternary uranium molybdenum alloys are currently being investigated for use as dispersion and monolithic nuclear fuels in research reactors. In this study, two such ternary alloys, with compositions U-8Mo-3Nb and U-7Mo-3Ti in wt.%, were examined using scanning electron microscopy (SEM), X-ray diffraction (XRD), and transmission electron microscopy (TEM) with high angle annular dark field (HAADF) imaging via scanning transmission electron microscopy (STEM) to identify phase constituents. These alloys were homogenized at 950°C for 96 hours and were expected to be single-phase bcc-!-U. However, upon examination, it was determined that despite homogenization, each of the alloys contained a small volume fraction precipitate phase. Through SEM and XRD, it was confirmed that the matrix retained the bcc-!-U phase, but the precipitate phases could not be identified using these methods. TEM specimens were prepared using site-specific focused ion beam (FIB) in situ lift out (INLO) technique to include at least one precipitate from each alloy. By electron diffraction, the precipitate phases for the U- 8Mo-3Nb and U-7Mo-3Ti alloys were identified as bcc-(Mo,Nb) solid solution and bcc- (Mo,Ti) solid solution, respectively.

  14. Preparation and Characterization of SrBi2(Ta1-xNbx)2O9 Thin Films by Metalorganic Chemical Vapor Deposition from Two Organometallic Source Bottles

    NASA Astrophysics Data System (ADS)

    Mitsuya, Masatoshi; Ishikawa, Katsuyuki; Nukaga, Norimasa; Funakubo, Hiroshi

    2000-06-01

    SrBi2(Ta1-xNbx)2O9 (SBTN) thin films were first prepared on Pt/Ti/SiO2/Si substrates by metalorganic chemical vapor deposition (MOCVD) with high compositional reproducibility. Bi(CH3)3, a mixture of Sr[Ta(O\\cdotC2H5)6]2 and Sr[Nb(O\\cdotC2H5)6]2, and O2 gas were used as sources. The Nb/(Ta+Nb) ratio in the film was almost the same as that of the source materials. The film, deposited at 500°C following heat treatment at 800°C for 30 min in O2 atmosphere, consisted of an almost single phase of SBTN@. The remanent polarization and the coercive field of the 330 nm-thick film were 8.5 μC/cm2 and 91 kV/cm, respectively. This film showed negligible fatigue after 5× 1010 polarization switching cycles.

  15. Paramagnetic Meissner effect in Nb

    NASA Astrophysics Data System (ADS)

    Kostić, P.; Veal, B.; Paulikas, A. P.; Welp, U.; Todt, V. R.; Gu, C.; Geiser, U.; Williams, J. M.; Carlson, K. D.; Klemm, R. A.

    1996-01-01

    The paramagnetic Meissner effect (PME), or Wohlleben effect, in which the field-cooled magnetization of superconducting samples is paramagnetic below Tc, has been reported to occur in some samples of a variety of high-Tc cuprate superconductors. It has been proposed that the effect arose in granular hole-doped cuprates from current loops with π phase shifts of the superconducting order parameter at some grain-boundary junctions. It is argued that such behavior would be expected to occur in a d-wave superconductor, but not in a conventional s-wave superconductor. To test this hypothesis, we have searched for the occurrence of the effect in Nb, and have confirmed a recent report by Minhaj et al. of its occurrence in some Nb samples. For these studies, the effects of stray fields and field gradients in the measurement volume of the superconducting quantum interference device magnetometer have been carefully considered to rule out the possibility that measurement artifacts might be responsible for the apparent paramagnetic behavior in Nb. The M(T) and M(H) curves obtained in Nb samples that show the PME also show remarkably strong resemblance to those curves reported for the cuprate materials exhibiting the PME. Evidence is presented that the effect arises from inhomogeneously trapped flux, and is strongly influenced by sample geometry and surface effects. These results suggest that, for the effect to be observable, Tc on the sample surface must be different from the bulk Tc. The occurrence of the PME in Nb strongly suggests that the observation of this effect is unrelated to d-wave superconductivity.

  16. Effects of annealing on antiwear and antibacteria behaviors of TaN-Cu nanocomposite thin films

    SciTech Connect

    Hsieh, J. H.; Cheng, M. K.; Chang, Y. K.; Li, C.; Chang, C. L.; Liu, P. C.

    2008-07-15

    TaN-Cu nanocomposite films were deposited by reactive cosputtering on Si and tool steel substrates. The films were then annealed using rapid thermal annealing (RTA) at 400 deg. C for 2, 4, and 8 min, respectively, to induce the nucleation and growth of Cu particles in TaN matrix and on film surface. Field emission scanning electron microscopy was applied to characterize Cu nanoparticles emerged on the surface of TaN-Cu thin films. The effects of annealing on the antiwear and antibacterial properties of these films were studied. The results reveal that annealing by RTA can cause Cu nanoparticles to form on the TaN surface. Consequently, the tribological behaviors, as well as the antibacterial behavior may vary depending on particle size, particle distribution, and total exposed Cu amount. For the samples with large Cu particles, the reduction of averaged friction and wear rate is obvious. Apparently, it is due to the smeared Cu particles adhered onto the wear tracks. This Cu layer may act as a solid lubricant. From the antibacterial testing results, it is found that both Cu particle size and total exposed Cu amount are critical in making short-term antibacterial effect. Overall, all the annealed TaN-Cu samples can reach >99% antibacterial efficiency in 24 h, with respect to uncoated Si substrate.

  17. Ta2O5- and TiO2-based nanostructures made by atomic layer deposition.

    PubMed

    Kemell, Marianna; Härkönen, Emma; Pore, Viljami; Ritala, Mikko; Leskelä, Markku

    2010-01-22

    Nanotubular Ta(2)O(5)- and TiO(2)-based structures were prepared by atomic layer deposition of Ta(2)O(5) and TiO(2) thin films, conformally on pore walls of porous alumina membranes. Both self-supporting alumina membranes and Si-supported thin-film membranes were studied as templates. Long Ta(2)O(5) and TiO(2) nanotubes were prepared successfully with the self-supporting membranes. The TiO(2) nanotubes showed photocatalytic activity in methylene blue degradation under UV illumination. The Ta(2)O(5) and TiO(2) nanotubes were further modified by depositing Pt nanoparticles inside them. The Si-supported thin-film membranes were used as templates for the preparation of robust Ta(2)O(5)-coated Ni nanorod arrays on a Si substrate using electrodeposition, chemical etching and atomic layer deposition. In addition to photocatalysis, the nanostructures prepared in this work may find applications as other catalysts and as solid-state or electrochemical capacitors.

  18. Effects of Solute Nb Atoms and Nb Precipitates on Isothermal Transformation Kinetics from Austenite to Ferrite

    NASA Astrophysics Data System (ADS)

    Wang, Li; Parker, Sally; Rose, Andrew; West, Geoff; Thomson, Rachel

    2016-07-01

    Nb is a very important micro-alloying element in low-carbon steels, for grain size refinement and precipitation strengthening, and even a low content of Nb can result in a significant effect on phase transformation kinetics from austenite to ferrite. Solute Nb atoms and Nb precipitates may have different effects on transformation behaviors, and these effects have not yet been fully characterized. This paper examines in detail the effects of solute Nb atoms and Nb precipitates on isothermal transformation kinetics from austenite to ferrite. The mechanisms of the effects have been analyzed using various microscopy techniques. Many solute Nb atoms were found to be segregated at the austenite/ferrite interface and apply a solute drag effect. It has been found that solute Nb atoms have a retardation effect on ferrite nucleation rate and ferrite grain growth rate. The particle pinning effect caused by Nb precipitates is much weaker than the solute drag effect.

  19. EDITORIAL: TaCoNa-Photonics 2008 TaCoNa-Photonics 2008

    NASA Astrophysics Data System (ADS)

    Chigrin, Dmitry N.; Busch, Kurt; Lavrinenko, Andrei V.

    2009-11-01

    intensify theoretical discussions and to put them on `solid' ground it was decided to invite world-leading experts in experimental photonics for plenary talks. Over three days, the workshop has brought together more than 70 specialists in theoretical and computational nano-photonics. The workshop took place in the historical `Physikzentrum Bad Honnef', whose unique atmosphere supported a multitude of highly interesting debates and discussions that often lasted until midnight and beyond. Different theoretical and numerical aspects of light generation, control and detection in general inhomogeneous media, photonic crystals, plasmonic structures, metamaterials and integrated optical systems were covered in 15 invited talks and 52 contributed oral and posters presentations. The plenary talks were given by Professor M Wegener (metamaterials) and Professor W Barnes (plasmonics). This special section is a cross-sectional selection of papers which were submitted by the authors of invited and contributed oral presentations. It also includes two papers of the winners of the Best Poster Awards. We hope that these papers will enhance the interest of the scientific community regarding nano-photonics in general and regarding the TaCoNa-Photonics workshop series in particular. It is our distinct pleasure to acknowledge the generous financial support of our sponsors: Karlsruhe School of Optics & Photonics (KSOP) (Germany), U.S. Army International Technology Center-Atlantic, Research Division (USA), and the Office of Naval Research Global (USA). Without the organizational assistance from the International Department of the Universität Karlsruhe GmbH (Germany) this event would simply have been impossible.

  20. Deformation mechanisms in Be[sub 12]X compounds. [X = Nb

    SciTech Connect

    Bruemmer, S.M.; Brimhall, J.L.; Charlot, L.A. ); Sondhi, S.; Hoagland, R.G.; Hirth, J.P. . Dept. of Mechanical and Materials Engineering)

    1992-12-01

    Dislocation structures have been examined, and active slip systems identified, in Be[sub l2]Nb after compressive deformation at 20, 800, 900 1000 and 1200C. A large number of slip systems are active at 1200C, but these decrease significantly at temperatures below 1000C. Dislocation structures at low temperatures are limited to 1/2<101(101) partial dislocations either paired or creating isolated planar faults. Significant ductility is not observed until 1200C when a second type of partial dislocation, 1/2<100(011) is present. Dislocations observed in the body-centered tetragonal Be[sup 12]X compounds (where X can be Nb, Ta, Mo, V, Fe etc.) have been modelled atomistically using molecular dynamics. Simulations corroborate the stability of these dislocation systems and indicate that the stacking faults associated with these partial dislocations have very low fault energy.

  1. Microstructure Evolution and Wear Behavior of the Laser Cladded CoFeNi2V0.5Nb0.75 and CoFeNi2V0.5Nb High-Entropy Alloy Coatings

    NASA Astrophysics Data System (ADS)

    Jiang, Li; Wu, Wei; Cao, Zhiqiang; Deng, Dewei; Li, Tingju

    2016-04-01

    The high-entropy alloy (HEA) coatings have received considerable attentions owing to their unique structures and properties caused by the quick solidification. In this work, the CoFeNi2V0.5Nb0.75 and CoFeNi2V0.5Nb HEAs which show fully eutectic and hypereutectic microstructures in their casting samples were laser cladded on 304 stainless steel substrate with laser power of 1400, 1600, and 1800 W. Results show that the HEA coatings are composed of the FCC solid solution phase and the Fe2Nb-type Laves phase. The cladding zones of the CoFeNi2V0.5Nb0.75 and CoFeNi2V0.5Nb coatings show cellular dendritic crystals, while the bonding zones show directional columnar crystals. Compared to the 304 stainless steel substrate, the HEA coatings show better wear resistance because of the combination of the hard Fe2Nb-type Laves phase and the ductile FCC solid solution matrix. Moreover, the HEA coatings with power of 1600 W show the best wear resistance attributing to the maximum volume fraction of the hard Fe2Nb-type Laves phase.

  2. Materials Analysis of CED Nb Films Being Coated on Bulk Nb Single Cell SRF Cavities

    SciTech Connect

    Zhao, Xin; Reece, Charles; Palczewski, Ari; Ciovati, Gianluigi; Krishnan, Mahadevan; James, Colt; Irfan, Irfan

    2013-09-01

    This study is an on-going research on depositing a Nb film on the internal wall of bulk Nb single cell SRF cavities, via a cathodic arc Nb plasma ions source, an coaxial energetic condensation (CED) facility at AASC company. The motivation is to firstly create a homoepitaxy-like Nb/Nb film in a scale of a ~1.5GHz RF single cell cavity. Next, through SRF measurement and materials analysis, it might reveal the baseline properties of the CED-type homoepitaxy Nb films. Literally, a top-surface layer of Nb films which sustains SRF function, always grows up in homo-epitaxy mode, on top of a Nb nucleation layer. Homo-epitaxy growth of Nb must be the final stage (a crystal thickening process) of any coatings of Nb film on alternative cavity structure materials. Such knowledge of Nb-Nb homo-epitaxy is useful to create future realistic SRF cavity film coatings, such as hetero-epitaxy Nb/Cu Films, or template-layer-mitigated Nb films. One large-grain, and three fine grain bulk Nb cavities were coated. They went through cryogenic RF measurement. Preliminary results show that the Q0 of a Nb film could be as same as the pre-coated bulk Nb surface (which received a chemically-buffered polishing plus a light electro-polishing); but quality factor of two tested cavities dropped quickly. We are investigating if the severe Q-slope is caused by hydrogen incorporation before deposition, or is determined by some structural defects during Nb film growth.

  3. Submillimeter SIS Mixers Using High Current Density Nb/AIN/Nb Tunnel Junctions and NbTiN Films

    NASA Astrophysics Data System (ADS)

    Kawamura, J.; Miller, D.; Chen, J.; Kooi, J.; Zmuidzinas, J.; Bumble, B.; Leduc, H.; Stern, J.

    1999-03-01

    We are currently exploring ways to improve the performance of SIS mixers above 700 GHz. One approach is to use NbTiN in place of Nb for all or some of the mixer circuitry. With its high gap frequency and low losses demonstrated up to 800 GHz, it should be possible to fabricate an all-NbTiN SIS mixer with near quantum-limited noise performance up to 1.2 THz. Using a quasioptical twin-slot two-junction mixer with NbTiN ground plane and wiring and hybrid Nb/A1N/NbTiN junctions, we measured an uncorrected receiver noise temperature of TRx ~ 500 K across 790-850 GHz at 4.2 K bath temperature. Our second approach is to reduce the RC product of the mixer by employing very high current density Nb/A1N/Nb junctions. By using these we will greatly relax the requirement on tuning circuits, which is where substantial losses occur in mixers operating above the Nb gap frequency. These junctions have resistance-area products of R_N*A ~ 5.6 Ohm um2, good subgap to normal resistance ratios, R_sg/R_N ~ 10, and good run-to-run reproducibility. From FTS measurements we infer that omega*R_N*C = 1 at 270 GHz in these junctions. This is a substantial improvement over that available using Nb/Al0x/Nb technology. The sensitivity of a receiver incorporating these high current density mixers is T_Rx = 110 K at 533 GHz using a design for lower J_c mixers, which is close to the best we have measured with lower J_c Nb/Al0x/Nb mixers.

  4. Effects of bismuth doping on the dielectric properties of Ba(Fe 0.5Nb 0.5)O 3 ceramic

    NASA Astrophysics Data System (ADS)

    Chung, Chao-Yu; Chang, Yee-Shin; Chen, Guo-Ju; Chung, Ching-Chang; Huang, Tzu-Wei

    2008-01-01

    The ferroelectric ceramic Ba 1- xBi x(Fe 0.5Nb 0.5) 1- x/4 O 3 (BBFN) is synthesized by a solid-state reaction. It has a partially disordered perovskite structure and shows a maximum plateau of the dielectric permittivity depending upon the temperature. The X-ray diffraction of the sample (x≦0.06) at room temperature shows a monoclinic phase. When the doped contents of Bi are over 6 mole% the structure changes from monoclinic to tetragonal. The dielectric constant initially remains constant with increasing temperature up to a particular temperature Ta, beyond which it increases rapidly. The temperature variations of the real and imaginary components of the dielectric permittivity show a broad maximum. The frequency dependence of the loss peaks is found to obey an Arrhenius law with activation energy of 0.155 eV. The Cole-Cole plot analysis of BBFN shows that the high dielectric constant is not grain responsive, but is a grain boundary effect as a typical barrier layer capacitor. All these observations show the dielectric relaxation properties of BBFN perovskites.

  5. Thermally stable perpendicular magnetic anisotropy features of Ta/TaO{sub x}/Ta/CoFeB/MgO/W stacks via TaO{sub x} underlayer insertion

    SciTech Connect

    Yang, SeungMo; Lee, JaBin; An, GwangGuk; Kim, JaeHong; Chung, WooSeong; Hong, JinPyo

    2014-09-21

    We report that a TaO{sub x} underlayer enhances the stability of perpendicular magnetic anisotropy (PMA) in TaO{sub x}/Ta/CoFeB/MgO stacks during annealing; control of oxygen content in the TaO{sub x} layer is critical. X-ray photoelectron spectroscopy observations revealed clear suppression of Ta atom diffusion towards the CoFeB/MgO interface or MgO regions. The TaO{sub x} underlayer possibly served as a diffusion sponge, permitting some thermally activated Ta atoms to impregnate the TaO{sub x} underlayer via a diffusion path, such as grain boundaries. We propose a possible mechanism for enhanced PMA stability based on diffusion of thermally activated Ta atoms.

  6. Systematic changes of the Nb-Sn reaction with time, temperature and alloying in Restacked-Rod-Process (RRP) Nb3Sn strands

    SciTech Connect

    Ghosh, A.K.; Sperry, E.A.; D'Ambra, J.; Cooley, L.D.; /Fermilab

    2008-09-01

    Reaction heat treatments spanning 605 to 750 C and 24 to {approx}400 hours were applied to several sets of RRP strands. Magnetization and transport measurements were used to track the changes of superconducting properties and the amounts of Nb{sub 3}Sn formed. The experiments showed that temperature increases of 15 C produced equivalent properties in half the time within the temperature range 620-680 C. This result was the same whether Ta or Ti was used to alloy the Nb{sub 3}Sn. The bulk pinning force Fp for Ta-alloyed wires displayed a significant drop for temperatures outside the range above, due to tin gradients at low temperatures and grain growth at high temperatures. The F{sub p} drop at high reaction temperatures prevents wire technology from taking advantage of significantly higher Kramer-plot intercept H{sub K} for high-temperature reactions. On the other hand, Ti alloying provides a quick and potent means to increase H{sub K} at reaction temperatures for which F{sub p} remains high.

  7. Icositetrahedral and icosahedral atomic configurations observed in the Nb-Ag metallic glasses synthesized by ion beam mixing

    SciTech Connect

    Tai, K. P.; Gao, N.; Dai, X. D.; Li, J. H.; Lai, W. S.; Liu, B. X.

    2006-08-28

    Metallic glasses are obtained in an immiscible Nb-Ag system by ion beam mixing and an atomic configuration in the amorphous structure is discovered, i.e., an icositetrahedral ordering, which, together with an icosahedral ordering also observed in the Nb-Ag metallic glasses and in some previously reported systems, helps in formulating a structural spectrum of the amorphous solids. The experimental characterization and atomistic modeling with an ab initio derived Nb-Ag potential demonstrate the significance of structural heredity, i.e., the crystalline structures of the constituent metals play a decisive role in determining the atomic structure of the metallic glasses in the system.

  8. First-principles studies of Ni-Ta intermetallic compounds

    SciTech Connect

    Zhou Yi; Wen Bin; Ma Yunqing; Melnik, Roderick; Liu Xingjun

    2012-03-15

    The structural properties, heats of formation, elastic properties, and electronic structures of Ni-Ta intermetallic compounds are investigated in detail based on density functional theory. Our results indicate that all Ni-Ta intermetallic compounds calculated here are mechanically stable except for P21/m-Ni{sub 3}Ta and hc-NiTa{sub 2}. Furthermore, we found that Pmmn-Ni{sub 3}Ta is the ground state stable phase of Ni{sub 3}Ta polymorphs. The polycrystalline elastic modulus has been deduced by using the Voigt-Reuss-Hill approximation. All Ni-Ta intermetallic compounds in our study, except for NiTa, are ductile materials by corresponding G/K values and poisson's ratio. The calculated heats of formation demonstrated that Ni{sub 2}Ta are thermodynamically unstable. Our results also indicated that all Ni-Ta intermetallic compounds analyzed here are conductors. The density of state demonstrated the structure stability increases with the Ta concentration. - Graphical abstract: Mechanical properties and formation heats of Ni-Ta intermetallic compounds are discussed in detail in this paper. Highlights: Black-Right-Pointing-Pointer Ni-Ta intermetallic compounds are investigated by first principle calculations. Black-Right-Pointing-Pointer P21/m-Ni{sub 3}Ta and hc-NiTa{sub 2} are mechanically unstable phases. Black-Right-Pointing-Pointer Pmmn-Ni{sub 3}Ta is ground stable phase of Ni{sub 3}Ta polymorphs. Black-Right-Pointing-Pointer All Ni-Ta intermetallic compounds are conducting materials.

  9. Structure and physical properties of EuTa{sub 2}O{sub 6} tungsten bronze polymorph

    SciTech Connect

    Kolodiazhnyi, T. Sakurai, H.; Vasylkiv, O.; Borodianska, H.; Forbes, S.; Mozharivskyj, Y.

    2014-08-11

    A tetragonal tungsten bronze (TTB) polymorph of EuTa{sub 2}O{sub 6} was prepared and analyzed. EuTa{sub 2}O{sub 6} crystallizes in the centrosymmetric Pnam space group (with unit cell: a = 12.3693, b = 12.4254, and c = 7.7228 Å) isomorphous with orthorhombic β-SrTa{sub 2}O{sub 6}. In contrast to early reports, we see no evidence of deviation from paramagnetic Curie-Weiss behavior among the Eu{sup 2+} 4f{sup 7}spins in EuTa{sub 2}O{sub 6} down to 2 K. Dielectric constant shows a broad peak at ca. 50 K with dielectric dispersion resembling diffuse phase transition. The relaxation time, however, follows a simple (non-freezing) thermally activated process with an activation energy of 92 meV and an attempt frequency of f{sub 0} = 5.79 × 10{sup 12 }Hz. A thermal conductivity of EuTa{sub 2}O{sub 6} shows a low-temperature (T ≈ 30 K) “plateau” region reminiscent of a glass-like behaviour in Nb-based TTB compounds. This behaviour can be attributed to the loosely bound Eu{sup 2+} ions occupying large tricapped trigonal prismatic sites in the EuTa{sub 2}O{sub 6} structure.

  10. TaRAR1 and TaSGT1 associate with TaHsp90 to function in bread wheat (Triticum aestivum L.) seedling growth and stripe rust resistance.

    PubMed

    Wang, Guan-Feng; Fan, Renchun; Wang, Xianping; Wang, Daowen; Zhang, Xiangqi

    2015-04-01

    RAR1 and SGT1 are important co-chaperones of Hsp90. We previously showed that TaHsp90.1 is required for wheat seedling growth, and that TaHsp90.2 and TaHsp90.3 are essential for resistance (R) gene mediated resistance to stripe rust fungus. Here, we report the characterization of TaRAR1 and TaSGT1 genes in bread wheat. TaRAR1 and TaSGT1 each had three homoeologs, which were located on wheat groups 2 and 3 chromosomes, respectively. Strong inhibition of seedling growth was observed after silencing TaSGT1 but not TaRAR1. In contrast, decreasing the expression of TaRAR1 or TaSGT1 could all compromise R gene mediated resistance to stripe rust fungus infection. Protein-protein interactions were found among TaRAR1, TaSGT1 and TaHsp90. The N-terminus of TaHsp90, the CHORD-I and CHORD-II domains of TaRAR1 and the CS domain of TaSGT1 may be instrumental for the interactions among the three proteins. Based on this work and our previous study on TaHsp90, we speculate that the TaSGT1-TaHsp90.1 interaction is important for maintaining bread wheat seedling growth. The TaRAR1-TaSGT1-TaHsp90.2 and TaRAR1-TaSGT1-TaHsp90.3 interactions are involved in controlling the resistance to stripe rust disease. The new information obtained here should aid further functional investigations of TaRAR1-TaSGT1-TaHsp90 complexes in regulating bread wheat growth and disease resistance.

  11. TaRAR1 and TaSGT1 associate with TaHsp90 to function in bread wheat (Triticum aestivum L.) seedling growth and stripe rust resistance.

    PubMed

    Wang, Guan-Feng; Fan, Renchun; Wang, Xianping; Wang, Daowen; Zhang, Xiangqi

    2015-04-01

    RAR1 and SGT1 are important co-chaperones of Hsp90. We previously showed that TaHsp90.1 is required for wheat seedling growth, and that TaHsp90.2 and TaHsp90.3 are essential for resistance (R) gene mediated resistance to stripe rust fungus. Here, we report the characterization of TaRAR1 and TaSGT1 genes in bread wheat. TaRAR1 and TaSGT1 each had three homoeologs, which were located on wheat groups 2 and 3 chromosomes, respectively. Strong inhibition of seedling growth was observed after silencing TaSGT1 but not TaRAR1. In contrast, decreasing the expression of TaRAR1 or TaSGT1 could all compromise R gene mediated resistance to stripe rust fungus infection. Protein-protein interactions were found among TaRAR1, TaSGT1 and TaHsp90. The N-terminus of TaHsp90, the CHORD-I and CHORD-II domains of TaRAR1 and the CS domain of TaSGT1 may be instrumental for the interactions among the three proteins. Based on this work and our previous study on TaHsp90, we speculate that the TaSGT1-TaHsp90.1 interaction is important for maintaining bread wheat seedling growth. The TaRAR1-TaSGT1-TaHsp90.2 and TaRAR1-TaSGT1-TaHsp90.3 interactions are involved in controlling the resistance to stripe rust disease. The new information obtained here should aid further functional investigations of TaRAR1-TaSGT1-TaHsp90 complexes in regulating bread wheat growth and disease resistance. PMID:25697954

  12. Thermoelectric properties in the series Ti{sub 1-x}Ta{sub x}S{sub 2}

    SciTech Connect

    Beaumale, M.; Barbier, T.; Bréard, Y.; Hébert, S.; Guilmeau, E.; Kinemuchi, Y.

    2014-01-28

    Polycrystalline samples in the series Ti{sub 1-x}Ta{sub x}S{sub 2} with x varying from 0 to 1 were prepared using solid-liquid-vapor reaction and spark plasma sintering. Rietveld refinements of X-ray diffraction data are consistent with the existence of a full solid solution for x ≤ 0.4. Transport measurements reveal that tantalum can act as electron donor when substituted in the Ti sites. As a consequence, the electrical resistivity and the absolute value of the Seebeck coefficient decrease with Ta content due to an increase in the carrier concentration. The lattice thermal conductivity being reduced due to mass fluctuation effect, the ZT values in Ti{sub 0.95}Ta{sub 0.05}S{sub 2} is slightly increased as compared to TiS{sub 2}.

  13. Team one (GA/MCA) effort of the DOE 12 Tesla Coil Development Program. 12 Tesla ETF toroidal field coil helium bath cooled NbTi alloy concept

    SciTech Connect

    Not Available

    1980-07-01

    This report presents the conceptual design of an ETF compatible toroidal field coil, employing helium bath cooled NbTi alloy conductor. The ten TF-coil array generates a peak field of 11-1/2 tesla at 2.87 m radius, corresponding to a major axis field of 6.1 tesla. The 10 kA conductor is an uninsulated, unsoldered Rutherford cable, employing NbTiTa ally as developed in Phase I of this effort. The conductor is encased within a four element frame of stainless steel strips to provide hoop and bearing load support.

  14. Preliminary analysis of EUSO—TA data

    NASA Astrophysics Data System (ADS)

    Fenu, F.; Piotrowski, L. W.; Shin, H.; Jung, A.; Bacholle, S.; Bisconti, F.; Capel, F.; Eser, J.; Kawasaki, Y.; Kuznetsov, E.; Larsson, O.; Mackovjak, S.; Miyamoto, H.; Plebaniak, Z.; Prevot, G.; Putis, M.; Shinozaki, K.; Adams, J.; Bertaina, M.; Bobik, P.; Casolino, M.; Matthews, J. N.; Ricci, M.; Wiencke, L.; EUSO-TA Collaboration

    2016-05-01

    The EUSO-TA detector is a pathfinder for the JEM-EUSO project and is currently installed in Black Rock Mesa (Utah) on the site of the Telescope Array fluorescence detectors. Aim of this experiment is to validate the observation principle of JEM-EUSO on air showers measured from ground. The experiment gets data in coincidence with the TA triggers to increase the likelihood of cosmic ray detection. In this framework the collaboration is also testing the detector response with respect to several test events from lasers and LED flashers. Moreover, another aim of the project is the validation of the stability of the data acquisition chain in real sky condition and the optimization of the trigger scheme for the rejection of background. Data analysis is ongoing to identify cosmic ray events in coincidence with the TA detector. In this contribution we will show the response of the EUSO-TA detector to all the different typologies of events and we will show some preliminary results on the trigger optimization performed on such data.

  15. Engineering Mathematics Assessment Using "MapleTA"

    ERIC Educational Resources Information Center

    Jones, Ian S.

    2008-01-01

    The assessment of degree level engineering mathematics students using the computer-aided assessment package MapleTA is discussed. Experience of academic and practical issues for both online coursework and examination assessments is presented, hopefully benefiting other academics in this novel area of activity. (Contains 6 figures and 1 table.)

  16. Adhesion and reliability of copper interconnects with Ta and TaN barrier layers

    SciTech Connect

    Lane, Michael; Dauskardt, Reinhold H.; Krishna, Nety; Hashim, Imran

    2000-01-01

    With the advent of copper metallization in interconnect structures, new barrier layers are required to prevent copper diffusion into adjacent dielectrics and the underlying silicon. The barrier must also provide adequate adhesion to both the dielectric and copper. While Ta and TaN barrier layers have been incorporated for these purposes in copper metallization schemes, little quantitative data exist on their adhesive properties. In this study, the critical interface fracture energy and the subcritical debonding behavior of ion-metal-plasma sputtered Ta and TaN barrier layers in Cu interconnect structures were investigated. Specifically, the effects of interfacial chemistry, Cu layer thickness, and oxide type were examined. Behavior is rationalized in terms of relevant reactions at the barrier/dielectric interface and plasticity in adjacent metal layers. (c) 2000 Materials Research Society.

  17. Silicide formation process of Er films with Ta and TaN capping layers.

    PubMed

    Choi, Juyun; Choi, Seongheum; Kim, Jungwoo; Na, Sekwon; Lee, Hoo-Jeong; Lee, Seok-Hee; Kim, Hyoungsub

    2013-12-11

    The phase development and defect formation during the silicidation reaction of sputter-deposited Er films on Si with ∼20-nm-thick Ta and TaN capping layers were examined. TaN capping effectively prevented the oxygen incorporation from the annealing atmosphere, which resulted in complete conversion to the ErSi2-x phase. However, significant oxygen penetration through the Ta capping layer inhibited the ErSi2-x formation, and incurred the growth of several Er-Si-O phases, even consuming the ErSi2-x layer formed earlier. Both samples produced a number of small recessed defects at an early silicidation stage. However, large rectangular or square-shaped surface defects, which were either pitlike or pyramidal depending on the capping layer identity, were developed as the annealing temperature increased. The origin of different defect generation mechanisms was suggested based on the capping layer-dependent silicidation kinetics.

  18. Second order incommensurate phase transition in 25L-Ta{sub 2}O{sub 5}

    SciTech Connect

    Audier, M.; Chenevier, B.; Roussel, H.; Lintanf Salauen, A.

    2010-09-15

    A new structural state 25L-Ta{sub 2}O{sub 5}, obtained from sintering and annealing treatments of a Ta{sub 2}O{sub 5} powder, is identified both by electron diffraction and high resolution imaging on a transmission electron microscope (TEM). According to general rules for the different L-Ta{sub 2}O{sub 5} structures proposed by Grey et al. (J. Solid State Chem. 178 (2005) 3308), a structural model is derived from their crystallographic data on 19L-Ta{sub 2}O{sub 5}. This model yields simulated images in agreement with high resolution TEM observations of the structure oriented along its [001] zone axis, but only for a very thin crystal thickness of less than 1.2 nm. Such a limitation is shown to be due to a modulation of the structure along its [001] axis. Actually, from an analysis of a diffuse scattering and of its evolution into satellites reflections as a function of the cooling rate, a second order incommensurate phase transition can be assumed to occur in this compound. The property of single phase samples observed by TEM is also verified by X-ray powder diffraction. In a discussion about studies performed by different authors on incommensurate structures in the system Ta{sub 2}O{sub 5}-WO{sub 3}, it is noticed that TEM results, similar to ours, indicate that phase transitions could be expected in these structures. - Graphical Abstract: Electron diffraction patterns of [100] zone axis, showing a structural change of the 25L-Ta{sub 2}O{sub 5} phase through a variation of the cooling rate from 1000 {sup o}C.

  19. AuTa 5S: A Cubic Rod Packing of Condensed (Au, Ta) 13Icosahedra Interwoven with a Three-Dimensional Framework of Corner-Connected STa 6Octahedra

    NASA Astrophysics Data System (ADS)

    Harbrecht, Bernd; Wagner, Volker; Pietzonka, Clemens

    1998-08-01

    AuTa 5S was prepared from a compressed mixture of tantalum disulfide, tantalum, and gold in a sealed tantalum capsule at 1650 K within 2 days. Above 1750 K the sulfide disproportionates in the solid state. The structure of AuTa 5S ( a=1250.82(3) pm, Foverline43 m, Z=16, Pearson symbol cF112) was determined from integrated X-ray powder diffraction intensities by direct methods and subsequently refined by fitting the profiles (13 structure variables, Rwp=0.036). Three of five crystallographically distinct metal atoms have distorted icosahedral coordinations. Sulfur is trigonal antiprismatically coordinated by tantalum. The structure is composed of two mutually interpenetrating zinc blende-like frameworks consisting of corner-connected STa 6octahedra and corner-connected Au 4Ta 4and Ta 4Ta 4stellae quadrangulae. The unique structure of AuTa 5S represents a link between two major intermetallic structure families, the η-carbide-type and the Mn 23Th 6-type structures.

  20. Roles of TaON and Ta(3)N(5) in the visible-Fenton-like degradation of atrazine.

    PubMed

    Du, Yingxun; Zhao, Lu; Zhang, Yuanyuan

    2014-02-28

    In this study, the roles of TaON and Ta3N5 in the degradation of atrazine by the visible-Fenton-like system were examined in detail. The TaON and Ta3N5 samples prepared by the nitridation of Ta2O5 and characterized by XRD, DRS, BET and PL analyses. The results showed that the TaON sample had weaker absorption in the visible region but higher specific surface area than the Ta3N5 sample. The degradation rate of atrazine in visible-TaON-Fenton-like system was 2.64 times than that in visible-Ta3N5-Fenton-like system. Both Fe(2+) and H2O2 could be reduced by eCB (electrons in the conduction band) in TaON or Ta3N5, while atrazine could not be oxidized by hVB (holes in the valance band). OH is the active species for the degradation of atrazine in visible-TaON/Ta3N5-Fenton-like systems. Majority of OH originated from Fenton reaction. After Fe(3+) was reduced by eCB to Fe(2+), Fe(2+) reacted quickly with H2O2 to generate OH. In addition, by capturing eCB, a little of H2O2 was reduced to yield OH, which contributed a small fraction of atrazine degradation. Based on the experimental results, the roles of TaON and Ta3N5 in the visible-Fenton-like system were proposed. And the higher photocatalytic activity of TaON than Ta3N5 was suggested to be due to the higher separation efficiency of electrons and holes, which may be related to the larger specific surface area. PMID:24413052

  1. K 1- xLa xCa 2- xNb 3O 10, a Layered Perovskite Series with Variable Interlayer Cation Density, and LaCaNb 3O 10, a Novel Layered Perovskite Oxide with No Interlayer Cations

    NASA Astrophysics Data System (ADS)

    Uma, S.; Gopalakrishnan, J.

    1993-02-01

    A series of layered perovskite oxides of the formula K1-xLaxCa2-xNb3O10 for 0 < x ≤ 1.0 have been prepared. All the members are isostructural, possessing the structure of KCa2Nb3O10. The interlayer potassium ions in the new series can be ion-exchanged with protons to give H1-xLaxCa2-xNb3O10. The latter readily forms intercalation compounds of the formula (CnH2n+1NH3)1-x LaxCa2-xNb3O10, just as the parent solid acid HCa2Nb3O10. The end member LaCaNb3O10 containing no interlayer cations is a novel layered perovskite oxide, being a n = 3 member of the series An-1BnX3n+1.

  2. Synthesis, structure and photoluminescence properties of Ho3+ doped TTB-BaTa2O6 phosphors

    NASA Astrophysics Data System (ADS)

    İlhan, Mustafa

    2014-12-01

    Ho3+ doped TTB-BaTa2O6 phosphors were produced by the solid state reaction method. XRD analysis confirmed the formation of BaTa2O6 single phase which was accomplished by heat treatment at 1425 °C for 20 h. The crystal structure of TTB-BaTa2O6 allowed doping concentration of Ho3+ ions up to 10 mol%, maintaining a single phase composition. A second phase of HoTaO4 begins to appear at 15 mol%. The lattice structure and the crystallite sizes changed with the concentration of Ho3+. In SEM analysis, it was also shown that BaTa2O6 grain sizes changed with the concentration of Ho3+. EDS analysis revealed that the Ta/Ba ratio increased on the grains depending on Ho3+ concentration. Charge balance of the structure was formulated through the EDS results. In fluorometer analysis, a strong green emission (λem = 546.9 nm) was observed in the visible spectral region. The emission increased with the doping concentration of up to 2.5 mol%, and above this level decreased due to concentration quenching.

  3. Synthesis and Optical Characterization of Red-Emitting BaTa2O6:Eu(3+) Phosphors.

    PubMed

    İlhan, Mustafa; Ekmekçi, Mete Kaan; Mergen, Ayhan; Yaman, Cemalettin

    2016-09-01

    Undoped and Eu(3+) doped BaTa2O6 phosphors were synthesized via solid state reaction method and characterized by using XRD, SEM-EDS and photoluminescence (PL) analyses. The XRD results revealed that the crystal structure of BaTa2O6 allowed up to 10 mol% levels of Eu(3+) ions due to the TTB characteristic network of adjacent octahedrals. SEM-EDS analyses confirmed the formation of BaTa2O6 structure and EuTaO4 secondary phase. BaTa2O6:Eu(3+) phosphors exhibited orange and red emissions at 592.2 nm and 615.7 nm in the visible region respectively. The Commission Internationale d'Eclairage (CIE) chromaticity coordinates of the BaTa2O6:Eu(3+) phosphors that excited at λ ex = 400 nm ranged from orangish-red to pinkish-red depending on increasing Eu(3+) concentration. PMID:27325113

  4. Electron paramagnetic resonance and theoretical studies of Nb in 4H- and 6H-SiC

    NASA Astrophysics Data System (ADS)

    Tien Son, Nguyen; Thang Trinh, Xuan; Gällström, Andreas; Leone, Stefano; Kordina, Olof; Janzén, Erik; Szász, Krisztián; Ivády, Viktor; Gali, Adam

    2012-10-01

    High purity silicon carbide (SiC) materials are of interest from high-power high temperature applications across recent photo-voltaic cells to hosting solid state quantum bits, where the tight control of electrically, optically, and magnetically active point defects is pivotal in these areas. 4H- and 6H-SiC substrates are grown at high temperatures and the incorporation of transition metal impurities is common. In unintentionally Nb-doped 4H- and 6H-SiC substrates grown by high-temperature chemical vapor deposition, an electron paramagnetic resonance (EPR) spectrum with C1h symmetry and a clear hyperfine (hf) structure consisting of ten equal intensity hf lines was observed. The hf structure can be identified as due to the interaction between the electron spin S = 1/2 and the nuclear spin of 93Nb. Additional hf structures due to the interaction with three Si neighbors were also detected. In 4H-SiC, a considerable spin density of ˜37.4% was found on three Si neighbors, suggesting the defect to be a complex between Nb and a nearby carbon vacancy (VC). Calculations of the 93Nb and 29Si hf constants of the neutral Nb on Si site, NbSi0, and the Nb-vacancy defect, NbSiVC0, support previous reported results that Nb preferentially forms an asymmetric split-vacancy (ASV) defect. In both 4H- and 6H-SiC, only one Nb-related EPR spectrum has been observed, supporting the prediction from calculations that the hexagonal-hexagonal defect configuration of the ASV complex is more stable than others.

  5. RbCa2Nb3O10 from X-ray powder data

    PubMed Central

    Liang, Zhen-Hua; Tang, Kai-Bin; Chen, Qian-Wang; Zheng, Hua-Gui

    2009-01-01

    Rubidium dicalcium triniobate(V), RbCa2Nb3O10, has been synthesized by solid-state reaction and its crystal structure refined from X-ray powder diffraction data using Rietveld analysis. The compound is a three-layer perovskite Dion–Jacobson phase with the perovskite-like slabs derived by termination of the three-dimensional CaNbO3 perovskite structure along the ab plane. The rubidium ions (4/mmm symmetry) are located in the inter­stitial space. PMID:21582979

  6. Synthesis of MgNb{sub 2}O{sub 6} by coprecipitation

    SciTech Connect

    Navale, S.C.; Gaikwad, A.B.; Ravi, V. . E-mail: ravi@ems.ncl.res.in

    2006-07-13

    A simple coprecipitation technique was used successfully to synthesize fine powders of MgNb{sub 2}O{sub 6} (MN) phase. An aqueous mixture of ammonium carbonate and ammonium hydroxide was used to precipitate Mg{sup 2+} and Nb{sup 5+} cations as carbonate and hydroxide respectively under basic conditions. This precipitate on heating at 750 deg. C produced MN powders. For comparison MN powders were prepared by the traditional solid state method. The phase content and the lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology of the particles were studied by scanning electron microscopy (SEM)

  7. Oxygen Atom Adsorption on and Diffusion into Nb(110) and Nb(100) from First Principles

    SciTech Connect

    Tafen, De Nyago; Gao, Michael C

    2013-11-01

    In order to understand the dynamics of oxidation of Nb, we examine the adsorption, absorption, and diffusion of an oxygen atom on, in, and into Nb(110) and Nb(100) surfaces, respectively, using density functional theory. Our calculations predict that the oxygen atom adsorbs on the threefold site on Nb(110) and the fourfold hollow site on Nb(100), and the adsorption energy is -5.08 and -5.18 eV respectively. We find the long and short bridge sites to be transition states for O diffusion on Nb(110), while the on top site is a rank-2 saddle point. In the subsurface region, the oxygen atom prefers the octahedral site, as in bulk niobium. Our results also show that the O atom is more stable on Nb(110) subsurface than on Nb(100) subsurface. The diffusion of oxygen atoms into niobium surfaces passes through transition states where the oxygen atom is coordinated to four niobium atoms. The diffusion barriers of the oxygen atom into Nb(110) and Nb(100) are 1.81 and 2.05 eV, respectively. Analysis of the electronic density of states reveals the emergence of well localized electronic states below the lowest states of clean Nb surfaces due to d-p orbital hybridization.

  8. Photocatalytic reduction of carbon dioxide with water using InNbO4 catalyst with NiO and Co3O4 cocatalysts

    NASA Astrophysics Data System (ADS)

    Lee, Der-Shing; Chen, Hsin-Ju; Chen, Yu-Wen

    2012-05-01

    InNbO4 was prepared by the solid-state reaction method. Various cocatalysts were added on InNbO4 by the incipient-wetness impregnation method. The effects of co-catalyst and pretreatment conditions on the photocatalytic activity of InNbO4 for photoreduction of carbon dioxide were investigated. NiO-InNbO4 and Co3O4-InNbO4 were pretreated by reduction at 500 °C for 2 h and subsequent oxidation at 200 °C for 1 h. The catalysts were characterized by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, and UV-vis diffuse reflectance spectroscopy. The characterization results of NiO-InNbO4 catalysts after pretreatment showed the presence of highly crystalline NiO and monoclinic Nb2O5. NiO-InNbO4 with reduction-oxidation pretreatment exhibited the highest activity due to the presence of core-shell type Ni0 and NiO on the surface and the presence of a small amount of Nb2O5 as a promoter.

  9. Atomically engineering Cu/Ta interfaces.

    SciTech Connect

    Webb, Edmund Blackburn, III; Zhou, Xiao Wang

    2007-09-01

    This report summarizes the major research and development accomplishments for the late start LDRD project (investment area: Enable Predictive Simulation) entitled 'Atomically Engineering Cu/Ta Interfaces'. Two ultimate goals of the project are: (a) use atomistic simulation to explore important atomistic assembly mechanisms during growth of Cu/Ta multilayers; and (b) develop a non-continuum model that has sufficient fidelity and computational efficiency for use as a design tool. Chapters 2 and 3 are essentially two papers that address respectively these two goals. In chapter 2, molecular dynamics simulations were used to study the growth of Cu films on (010) bcc Ta and Cu{sub x}Ta{sub 1-x} alloy films on (111) fcc Cu. The results indicated that fcc crystalline Cu films with a (111) texture are always formed when Cu is grown on Ta. The Cu films are always polycrystalline even when the Ta substrate is single crystalline. These polycrystalline films are composed of grains with only two different orientations, which are separated by either orientational grain boundaries or misfit dislocations. Periodic misfit dislocations and stacking fault bands are observed. The Cu film surface roughness was found to decrease with increasing adatom energy. Due to a Cu surface segregation effect, the Cu{sub x}Ta{sub 1-x} films deposited on Cu always have a higher Cu composition than that used in the vapor mixture. When Cu and Ta compositions in the films are comparable, amorphous structures may form. The fundamental origins for all these phenomena have been studied in terms of crystallography and interatomic interactions. In chapter 3, a simplified computational method, diffusional Monte Carlo (dMC) method, was developed to address long time kinetic processes of materials. Long time kinetic processes usually involve material transport by diffusion. The corresponding microstructural evolution of materials can be analyzed by kinetic Monte Carlo simulation methods, which essentially

  10. High-throughput exploration of thermoelectric and mechanical properties of amorphous NbO2 with transition metal additions

    NASA Astrophysics Data System (ADS)

    Music, Denis; Geyer, Richard W.; Hans, Marcus

    2016-07-01

    To increase the thermoelectric efficiency and reduce the thermal fatigue upon cyclic heat loading, alloying of amorphous NbO2 with all 3d and 5d transition metals has systematically been investigated using density functional theory. It was found that Ta fulfills the key design criteria, namely, enhancement of the Seebeck coefficient and positive Cauchy pressure (ductility gauge). These quantum mechanical predictions were validated by assessing the thermoelectric and elastic properties on combinatorial thin films, which is a high-throughput approach. The maximum power factor is 2813 μW m-1 K-2 for the Ta/Nb ratio of 0.25, which is a hundredfold increment compared to pure NbO2 and exceeds many oxide thermoelectrics. Based on the elasticity measurements, the consistency between theory and experiment for the Cauchy pressure was attained within 2%. On the basis of the electronic structure analysis, these configurations can be perceived as metallic, which is consistent with low electrical resistivity and ductile behavior. Furthermore, a pronounced quantum confinement effect occurs, which is identified as the physical origin for the Seebeck coefficient enhancement.

  11. Microstructure and mechanical properties of Nb15Al10Ti alloy produced by mechanical alloying and high temperature processing.

    PubMed

    Rozmus, M; Blicharski, M; Dymek, S

    2010-03-01

    In this work, an Nb15Al10Ti alloy produced by mechanical alloying was investigated. The milling of elemental powders of Nb, Al as well as TiAl intermetallic phase resulted in the formation of homogenous niobium solid solution, Nb(ss), and refinement of powder particles. Powder after milling was consolidated by conventional hot pressing at 1300 degrees C under pressure of 25 MPa as well as by hot isostatic pressing at 1200 degrees C under pressure of 1 GPa. Microstructure of consolidated material was examined by transmission electron microscopy, scanning electron microscopy and X-ray diffraction. Materials after consolidation were composed of three phases: niobium solid solution Nb(ss), Nb(3)Al intermetallic phase and titanium oxide dispersoid TiO. The analysis of the mechanical properties indicated that both refinement of microstructure as well as introduction of ductile Nb(ss) into the microstructure contributed to very high yield strength and fracture toughness satisfactory for this strength. PMID:20500425

  12. Ab initio study of AlxMoNbTiV high-entropy alloys.

    PubMed

    Cao, Peiyu; Ni, Xiaodong; Tian, Fuyang; Varga, Lajos K; Vitos, Levente

    2015-02-25

    The Al(x)MoNbTiV (x = 0-1.5) high-entropy alloys (HEAs) adopt a single solid-solution phase, having the body centered cubic (bcc) crystal structure. Here we employ the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation to investigate the equilibrium volume, elastic constants, and polycrystalline elastic moduli of Al(x)MoNbTiV HEAs. A comparison between the ab initio and experimental equilibrium volumes demonstrates the validity and accuracy of the present approach. Our results indicate that Al addition decreases the thermodynamic stability of the bcc structure with respect to face-centered cubic and hexagonal close packed lattices. For the elastically isotropic Al(0.4)MoNbTiV HEAs, the valence electron concentration (VEC) is about 4.82, which is slightly different from VEC ∼ 4.72 obtained for the isotropic Gum metals and refractory--HEAs. PMID:25640032

  13. Structural and dielectric behavior of TlNbXO{sub 6} (X = W, Mo) ceramics

    SciTech Connect

    Kar, T.; Choudhary, R.N.P.

    1998-11-15

    Polycrystalline samples of TlNbXO{sub 6} (X = W, Mo) were prepared by a high-temperature solid-state reaction technique. Room temperature X-ray diffraction (XRD) studies confirmed the formation of single-phase compounds with an orthorhombic structure. Variation of dielectric constant ({var_epsilon}) and loss tangent (tan{delta}) with frequency (1--1000 kHz) and temperature (room temperature to 600 K) showed that TlNbWO{sub 6} had a ferroelectric-like dielectric anomaly at 330 {+-} 5 K whereas TlNbMoO{sub 6} did not exhibit any such anomaly in the said temperature range. The sharp fall of dc resistivity (10{sup 6} to 10{sup 3} {Omega}m) with rise in temperature showed the superionic nature of the compounds in the high-temperature region.

  14. Effect of Nb and W substitutions on the stability of the A15 Mo3Si phase

    SciTech Connect

    Ray,Pratik K.; Ye, Yiying; Akinc, Mufit; Kramer, Matthew J.

    2012-05-08

    A combination of theoretical and experimental studies on the stability of Mo3Si with Nb and W substitutions has been presented in this paper. The first principles calculations suggest that the formation enthalpy of the A15 phase favors Nb substitution up to 37.5 atom %. In case of W substitution, the formation enthalpies increase monotonically. Experimental studies on the other hand, showed that the A15 phase is destabilized when approximately 27.5 atom % Nb is added while 7.5–10 atom % W substitution was sufficient to destabilize A15 phase. It was further determined that upon destabilization of the A15 structure, Nb partitions preferentially to the T1 phase, whereas W partitions preferentially to a solid solution with Mo.

  15. K(0.12)Na(0.54)Ag(0.34)Nb(4)O(9)AsO(4).

    PubMed

    Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed

    2011-01-12

    Potassium sodium silver tetra-niobium nona-oxide arsenate, K(0.12)Na(0.54)Ag(0.34)Nb(4)AsO(13), synthesized by solid-state reaction at 1123 K, adopts a three-dimensional framework delimiting tunnels running along [001] in which occupationally disordered sodium, silver, and potassium ions are located. Of the 11 atoms in the asymmetric unit (two Nb, one As, one Ag, one K, one Na and fiveO), nine are located on special positions: one Nb and the K, Ag, Na and two O atoms are situated on mirror planes, the other Nb is on a twofold rotation axis, and the As atom and one O atom are on sites of m2m symmetry.

  16. Fergusonite-type CeNbO{sub 4+δ}: Single crystal growth, symmetry revision and conductivity

    SciTech Connect

    Bayliss, Ryan D.; Pramana, Stevin S.; An, Tao; Wei, Fengxia; Kloc, Christian L.; White, Andrew J.P.; Skinner, Stephen J.; White, Timothy J.; Baikie, Tom

    2013-08-15

    Large fergusonite-type (ABO{sub 4}, A=Ce, B=Nb) oxide crystals, a prototype electrolyte composition for solid oxide fuel cells (SOFC), were prepared for the first time in a floating zone mirror furnace under air or argon atmospheres. While CeNbO{sub 4} grown in air contained CeNbO{sub 4.08} as a minor impurity that compromised structural analysis, the argon atmosphere yielded a single phase crystal of monoclinic CeNbO{sub 4}, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy conducted under argon found that stoichiometric CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. - Graphical abstract: Large fergusonite-type CeNbO{sub 4} crystals were prepared for the first time in a floating zone mirror furnace. Crystal growth in an argon atmosphere yielded a single phase monoclinic CeNbO4, as confirmed by selected area electron diffraction, powder and single crystal X-ray diffraction. The structure was determined in the standard space group setting C12/c1 (No. 15), rather than the commonly adopted I12/a1. AC impedance spectroscopy found CeNbO{sub 4} single crystals showed lower conductivity compared to CeNbO{sub 4+δ} confirming interstitial oxygen can penetrate through fergusonite and is responsible for the higher conductivity associated with these oxides. Highlights: • Preparation of single crystals of CeNbO{sub 4} using a floating zone mirror furnace. • Correction to the crystal symmetry of the monoclinic form of CeNbO{sub 4}. • Report the conductivity of a single crystal of CeNbO{sub 4}.

  17. Test results of a Nb3Al/Nb3Sn subscale magnet for accelerator application

    DOE PAGES

    Iio, Masami; Xu, Qingjin; Nakamoto, Tatsushi; Sasaki, Ken -ichi; Ogitsu, Toru; Yamamoto, Akira; Kimura, Nobuhiro; Tsuchiya, Kiyosumi; Sugano, Michinaka; Enomoto, Shun; et al

    2015-01-28

    The High Energy Accelerator Research Organization (KEK) has been developing a Nb3Al and Nb3Sn subscale magnet to establish the technology for a high-field accelerator magnet. The development goals are a feasibility demonstration for a Nb3Al cable and the technology acquisition of magnet fabrication with Nb3Al superconductors. KEK developed two double-pancake racetrack coils with Rutherford-type cables composed of 28 Nb3Al wires processed by rapid heating, quenching, and transformation in collaboration with the National Institute for Materials Science and the Fermi National Accelerator Laboratory. The magnet was fabricated to efficiently generate a high magnetic field in a minimum-gap common-coil configuration with twomore » Nb3Al coils sandwiched between two Nb3Sn coils produced by the Lawrence Berkeley National Laboratory. A shell-based structure and a “bladder and key” technique have been used for adjusting coil prestress during both the magnet assembly and the cool down. In the first excitation test of the magnet at 4.5 K performed in June 2014, the highest quench current of the Nb3Sn coil, i.e., 9667 A, was reached at 40 A/s corresponding to 9.0 T in the Nb3Sn coil and 8.2 T in the Nb3Al coil. The quench characteristics of the magnet were studied.« less

  18. Comparative mutagenicity of nitrofluoranthenes in Salmonella typhimurium TA98, TA98NR, and TA98/1,8DNP6.

    PubMed

    Shane, B S; Squadrito, G L; Church, D F; Pryor, W A

    1991-01-01

    The nitration of fluoranthene, one of the most abundant polycyclic aromatic hydrocarbons (PAH) in diesel fuels, occurs in the laboratory under either electrophilic or free-radical conditions to give nitro-PAH. 3-Nitrofluoranthene (3-NF) is the major product under electrophilic ionic conditions while 2-nitrofluoranthene (2-NF) is the major product under free-radical nitration conditions. The free-radical nitration of fluoranthene also yields 1,2- and 1,3-dinitrofluoranthene (1,2-DNF and 1,3-DNF). Nitration on the 3-position of fluoranthene enhances the mutagenic potency more strongly than on the 2-position. Thus, 3-NF is a more potent mutagen than 2-NF and 1,3-DNF is more potent than 1,2-DNF, an isomer with one near coplanar nitro group and one nitro group substantially out of plane with the fluoranthene skeleton, when tested against Salmonella typhimurium TA98, TA98NR, and TA98/1,8-DNP6. In addition, the activation of these dinitro-PAH to mutagens does not depend on the "classical nitroreductase" and/or O-acetylase, suggesting that they are activated via different pathways. Despite the fact that 3-NF and 1-phenyl-4-nitronaphthalene (1-P-4NN), a non-planar analog of 3-NF, have virtually identical reduction potentials, their mutagenic potencies differ by three orders of magnitude. This finding suggests that when nitro-PAH of varying steric requirements are compared, the reduction potential may not predict mutagenic potency as well as had been previously suggested.

  19. Failure mechanism of Ta diffusion barrier between Cu and Si

    NASA Astrophysics Data System (ADS)

    Laurila, Tomi; Zeng, Kejun; Kivilahti, Jorma K.; Molarius, Jyrki; Suni, Ilkka

    2000-09-01

    The reaction mechanisms in the Si/Ta/Cu metallization system and their relation to the microstructure of thin films are discussed on the basis of experimental results and the assessment of the ternary Si-Ta-Cu phase diagram at 700 °C. With the help of sheet resistance measurements, Rutherford backscattering spectroscopy, x-ray diffraction, a scanning electron microscope, and a transmission electron microscope, the Ta barrier layer was observed to fail at temperatures above 650 °C due to the formation of TaSi2, the diffusion of Cu through the silicide layer, and the resulting formation of Cu3Si precipitates. However, in order for the TaSi2 phase to form first, the Ta diffusion barrier layer must be thick enough (e.g., 50-100 nm) to prevent Cu diffusion into the Si substrate up to the temperature of TaSi2 formation (˜650 °C). Independent of the Ta layer thickness, Cu3Si was present as large nodules, whereas the TaSi2 existed as a uniform layer. The resulting reaction structure was found to be in local equilibrium on the basis of the assessed Si-Ta-Cu phase diagram at 700 °C, and therefore no further reactions were expected. The role of oxygen was also found to be important in the reactions and it seems to have a strong effect on the thermal stability of the barrier layer.

  20. The Use of TaBoRR as a Heavy Oil Upgrader

    SciTech Connect

    Lee Brecher; Charles Mones

    2009-02-05

    Preliminary testing has shown that Western Research Institute's (WRI) Tank Bottom Recovery and Remediation (TaBoRR{reg_sign}) technology shows promise for heavy oil upgrading. Approximately 70 to 75 wt% of a Canadian Cold Lake bitumen feed was converted to a partially upgraded overhead product that could be transported directly by pipeline or blended with the parent bitumen to produce transportable crude. TaBoRR{reg_sign} was originally developed to remediate tank bottom wastes by producing a distillate product and solid waste. TaBoRR{reg_sign}'s processing steps include breaking a water-oil emulsion, recovering a light hydrocarbon fraction by distillation in a stripper unit, and pyrolyzing the residua reducing it to additional overhead and a benign coke for disposal. Cold Lake bitumen was tested in WRI's bench-scale equipment to evaluate the potential use of TaBoRR{reg_sign} technology for heavy oil upgrading to produce a stable, partially (or fully) upgraded product that will allow diluent-reduced or diluent-free transportation of bitumen or ultra-heavy crudes to market. Runs were conducted at temperatures of low, intermediate and high severity in the stripper to produce stripper overhead and bottoms. The bottoms from each of these runs were processed further in a 6-inch screw pyrolyzer to produce pyrolyzer overhead for blending with the corresponding stripper overheads. Proceeding in this fashion yielded three partially upgraded crudes. The products from TaBoRR{reg_sign} processing, the parent bitumen, and bitumen blends were subjected to stability and compatibility testing at the National Centre for Upgrading Technology (NCUT). Chemical analyses of the overhead product blends have met pipeline specifications for viscosity and density; however the bromine number does not, which might indicate the need for mild hydrotreating. Storage stability tests showed the blends to be stable. The blends were also soluble and compatible with most other Alberta crudes.

  1. Paleoclimate from Tree Rings of Picea morrisonicola in Ta-Ta-Chia Area of Central Taiwan

    NASA Astrophysics Data System (ADS)

    Chen, T.; Wright, W. E.; Wei, K.; Cook, E. R.

    2009-12-01

    Almost no dendrochronology has been reported internationally from Taiwan, despite the existence of many dendrochronologically appropriate tree species. In this study, we reconstruct the regional paleoclimate using a multi-century tree ring-width chronology developed from Picea morrisonicola ( the endemic Taiwan Spruce), a subtropical species growing in the Ta-Ta-Chia subalpine mountain areas of central Taiwan. Picea morrisonicola in Taiwan is the only member of the Picea genus whose distribution crosses the Tropic of Cancer. Statistical analysis of the climate signal demonstrates that both the temperature and precipitation have significant effects on tree growth.

  2. The crystal structure of Hf 1.5+δNb 1.5-δAs and structure-composition relations in the section Hf 3As-Nb 3As

    NASA Astrophysics Data System (ADS)

    Warczok, Piotr; Chumak, Igor; Richter, Klaus W.

    2009-04-01

    The title compound Hf 1.5+δNb 1.5-δAs was characterized by means of single crystal X-ray diffraction. It represents a new structure type of intermetallic compounds (space group Pnma; lattice parameters a=7.142(2) Å, b=3.583(2) Å, c=11.640(2) Å) and shows a small homogeneity range corresponding to (0.1< δ<0.25) at 1400 °C. The crystal structure may be visualized by a combination of As-centred trigonal prisms of the metal atoms and bcc-like fragments formed by metal atoms. Structural relations with various binary arsenides are discussed. The structure of Hf 1.5+δNb 1.5-δAs shows significant preferred site occupation of Hf and Nb at the three independent metal positions (differential fractional site occupancy). Structure-composition relations in the section Hf 3As-Nb 3As which also contains the new phase Hf 2+δNb 1-δAs with Ti 3P-type structure (space group P4 2/ n) are discussed. Ground state energies of various ordered compounds with Hf 1.5+δNb 1.5-δAs-, Ti 3P- and Ta 3As-type structures were calculated from ab initio density functional theory. These energies were used for thermodynamic calculations employing the compound energy formalism (CEF) with the aim to model the experimentally observed site fraction data for both ternary compounds as well as Gibbs energies at the temperature of equilibration (1400 °C).

  3. Effects of Nb-doped on the structure and electrochemical performance of LiFePO{sub 4}/C composites

    SciTech Connect

    Ma, Zhipeng; Shao, Guangjie; Wang, Guiling; Zhang, Ying; Du, Jianping

    2014-02-15

    The olivine-type niobium doping Li{sub 1−x}Nb{sub x}FePO{sub 4}/C (x=0, 0.005, 0.010, 0.015, 0.025) cathode materials were synthesized via a two-step ball milling solid state reaction. The effects of Nb doping were charactered by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), galvanostatic intermittent titration technique (GITT), cyclic voltammetry (CV), electrochemical impedance spectra (EIS) and galvanostatic charge–discharge. It is found that Nb doping enlarges the interplanar distance of crystal plane parallel to [0 1 0] direction in LiFePO{sub 4}. In other words, it widens the one dimensional diffusion channels of Li{sup +} along the [0 1 0] direction. Electrochemical test results indicate that the Li{sub 0.99}Nb{sub 0.01}FePO{sub 4}/C composite exhibits the best electrochemical performance with initial special discharge capacity of 139.3 mA h g{sup −1} at 1 C rate. The present synthesis route is promising in making the solid state reaction method more practical for preparation of the LiFePO{sub 4} material. - Graphical abstract: The proper amount of Nb doping widens the one dimensional diffusion channels of Li{sup +} along the [0 1 0] direction. Display Omitted - Highlights: • The Nb doping LiFePO{sub 4}/C is prepared by a facile two-step ball milling solid state reaction. • The sample possesses the better high-rate performance. • The tap density of Li{sub 0.99}Nb{sub 0.01}FePO{sub 4}/C sample is 1.76 g cm{sup −3}.

  4. Coexistence of the relaxor-like and ferroelectric behavior in K1-xLixTaO3

    NASA Astrophysics Data System (ADS)

    Trybuła, Z.; Dec, J.; Miga, S.; Łoś, Sz.; Trybuła, M.

    2016-08-01

    The results of low-temperature linear and nonlinear susceptibilities, polarization measurements and the dc electric field dependence of the dielectric properties of the lithium-doped potassium tantalate K1-xLixTaO3, x = 0.034 (KLT-3.4%Li) solid solution are presented. The coexistence of the relaxor-like and ferroelectric behavior and different mechanisms leading to either of them are discussed. The observed ferroelectric phase transition is of the first-order type with temperature hysteresis. This transition is due to the off-center motions of Ta ions in the octahedral environment of oxygen ions. Clusters of Li+ ions produce a relaxor-like behavior and random electric field. This field reduces the depolarization field and allows off-center motions of Ta ions and an appearance of spontaneous polarization.

  5. Structural and Luminescence Properties of Sm(3+) Doped TTB -Type BaTa2O6 Ceramic Phosphors.

    PubMed

    Ekmekçi, Mete Kaan; İlhan, Mustafa; Başak, Ali Sadi; Deniz, Sabahattin

    2015-11-01

    Pure and 0.5 to 10 mole% Sm(3+) doped TTB (tetragonal tungsten bronze)-type BaTa2O6 ceramic phosphor was produced by the solid state reaction method which performed at 1425 °C for 20 h. XRD and SEM analysis indicated single TTB phase for undoped and 0.5 to 10 mole% Sm(3+) doped BaTa2O6 structures. SEM also showed that the BaTa2O6 grain size decreased with the increasing content of Sm(3+). Optical analysis indicated significant emissions in the visible spectral region as green (λ = 562.7 nm) and orange-reddish (λ = 597.1 nm). The emission intensity increased with the increasing doping concentration up to 2.5 mole%, and then decreased due to the concentration quenching effect.

  6. Nature of charge density waves and superconductivity in 1 T -TaSe2 -xTex

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Shao, D. F.; Li, L. J.; Lu, W. J.; Zhu, X. D.; Tong, P.; Xiao, R. C.; Ling, L. S.; Xi, C. Y.; Pi, L.; Tian, H. F.; Yang, H. X.; Li, J. Q.; Song, W. H.; Zhu, X. B.; Sun, Y. P.

    2016-07-01

    Transition-metal dichalcogenides (TMDs) M X2 (M =Ti,Nb,Ta;X =S,Se,Te) exhibit a rich set of charge density wave (CDW) orders, which usually coexist and/or compete with superconductivity. The mechanisms of CDWs and superconductivity in TMDs are still under debate. Here we perform an investigation on a typical TMD system, 1 T -TaSe2 -xTex (0 ≤x ≤2 ). Doping-induced disordered distribution of Se/Te suppresses CDWs in 1 T -TaSe2. A domelike superconducting phase with the maximum Tconset of 2.5 K was observed near CDWs. The superconducting volume is very small inside the CDW phase and becomes very large instantly when the CDW phase is fully suppressed. The observations can be understood based on the strong q -dependent electron-phonon coupling-induced periodic-lattice-distortion (PLD) mechanism of CDWs. The volume variation of superconductivity implies the emergence of domain walls in the suppressing process of CDWs. Our concluded scenario makes a fundamental understanding about CDWs and related superconductivity in TMDs.

  7. Isothermal transient ionic current as a characterization technique for ion transport in Ta2O5

    NASA Astrophysics Data System (ADS)

    Mattsson, M. Strømme; Niklasson, G. A.

    1999-06-01

    The Isothermal Transient Ionic Current (ITIC) technique was applied to β-Ta2O5 samples made by chemical vapor deposition. The mobility, conductivity, and number of protons in the material could be extracted from the measurements. Li ions were intercalated electrochemically into the β-Ta2O5 and it was found that the ITIC method could separate the contribution from proton and Li ion conduction in such a way that the mobilities of both species could be extracted. Furthermore, the lattice-gas model [A. J. Berlinsky, W. G. Unruh, W. R. McKinnon, and R. R. Haering, Solid State Commun. 31, 135 (1979)] was employed to describe the Li interaction process. This model showed that the Li ions tended to distribute uniformly, rather then to attract each other and form clusters in the material.

  8. Experimental partitioning of Zr, Ti, and Nb between silicate liquid and a complex noble metal alloy and the partitioning of Ti between perovskite and platinum metal

    NASA Technical Reports Server (NTRS)

    Jurewicz, Stephen R.; Jones, John H.

    1993-01-01

    El Goresy et al.'s observation of Nb, Zr, and Ta in refractory platinum metal nuggets (RPMN's) from Ca-Al-rich inclusions (CAI's) in the Allende meteorite led them to propose that these lithophile elements alloyed in the metallic state with noble metals in the early solar nebula. However, Grossman pointed out that the thermodynamic stability of Zr in the oxide phase is vastly greater than metallic Zr at estimated solar nebula conditions. Jones and Burnett suggested this discrepancy may be explained by the very non-ideal behavior of some lithophile transition elements in noble metal solutions and/or intermetallic compounds. Subsequently, Fegley and Kornacki used thermodynamic data taken from the literature to predict the stability of several of these intermetallic compounds at estimated solar nebula conditions. Palme and Schmitt and Treiman et al. conducted experiments to quantify the partitioning behavior of certain lithophile elements between silicate liquid and Pt-metal. Although their results were somewhat variable, they did suggest that Zr partition coefficients were too small to explain the observed 'percent' levels in some RPMN's. Palme and Schmitt also observed large partition coefficients for Nb and Ta. No intermetallic phases were identified. Following the work of Treiman et al., Jurewicz and Jones performed experiments to examine Zr, Nb, and Ti partitioning near solar nebula conditions. Their results showed that Zr, Nb, and Ti all have an affinity for the platinum metal, with Nb and Ti having a very strong preference for the metal. The intermetallic phases (Zr,Fe)Pt3, (Nb,Fe)Pt3, and (Ti,Fe)Pt3 were identified. Curiously, although both experiments and calculations indicate that Ti should partition strongly into Pt-metal (possibly as TiPt3), no Ti has ever been observed in any RPMN's. Fegley and Kornacki also noticed this discrepancy and hypothesized that the Ti was stabilized in perovskite which is a common phase in Allende CAI's.

  9. Solidification processing of intermetallic Nb-Al alloys

    NASA Technical Reports Server (NTRS)

    Smith, Preston P.; Oliver, Ben F.; Noebe, Ronald D.

    1992-01-01

    Several Nb-Al alloys, including single-phase NbAl3 and the eutectic of Nb2Al and NbAl3, were prepared either by nonconsumable arc melting in Ar or by zone processing in He following initial induction melting and rod casting, and the effect of the solidification route on the microstructure and room-temperature mechanical properties of these alloys was investigated. Automated control procedures and melt conditions for directional solidification of NbAl3 and the Nb2Al/Nb3Al eutectic were developed; high purity and stoichiometry were obtained. The effects of ternary additions of Ti and Ni are described.

  10. Formation of Pu amorphous alloys or metastable structures in Pu-Fe, Pu-Ta, and Pu-Si alloys

    SciTech Connect

    Rizzo, H.F.; Echeverria, A.W.

    1985-08-20

    Sputter deposition technique was used to study the possible formation of amorphous structures in Pu-Fe, Pu-Ta, and Pu-Si systems. A triode sputtering system was used to prepare sputtered coatings: 13 to 59 at. % (a/o) Fe, 10 to 50 a/o Si, and 15 to 65 a/o Ta. Structure of the coatings was determined by x-ray diffraction techniques. The temperature stability of the obtained structures was determined by Differential Scanning Calorimetry (DSC) measurements. The Pu-Fe and Pu-Si binary systems showed strong evidence for the formation of amorphous phases in the sputtered coatings. X-ray analyses indicated the presence of Pu6Fe in the 13 to 20 a/o Fe range of Pu-Fe alloys and no apparent crystalline phases over the entire 10 to 50 a/o Si range of Pu-Si alloys. In the Pu-Ta system, the DSC data obtained for compositions below 50 a/o Ta did not show typical crystallization exotherms. At compositions above 50 a/o Ta, a metastable bcc alpha Ta structure was observed with an expanded lattice parameter. The calculated volume expansion (2.9%) corresponds to 29 a/o of Pu in solid solution if the lattice parameter is assumed to follow Vegards Law. After storage in a nitrogen glovebox atmosphere for over two years, the Pu-Si and Pu-Ta coatings have maintained a metallic luster and have shown no visible evidence of surface oxidation.

  11. Development of W-Ta generator

    NASA Technical Reports Server (NTRS)

    1981-01-01

    This research program was used to further develop the existing W-Ta generator and to evaluate alternative adsorbents, preferably inorganic materials, as supports for the generator. During the first half year, combinations of non-complexing eluents and a variety of adsorbents, both inorganic and organic, were evaluated. Some of these adsorbents were synthetic, such as chelate resins that could be specific for tungsten. In the second half of the year, the stress was mainly on the use of complexing eluents because of the high affinity of hydrous oxides for tantalum, on the synthesis of chelate resins and on the use novel techniques (electrolytic) to solve the tantalum-adsorption problem.

  12. Synthesis of g-C3N4/NaTaO3 Hybrid Composite Photocatalysts and Their Photocatalytic Activity Under Simulated Solar Light Irradiation.

    PubMed

    Kim, Tae-Ho; Jo, Yong-Hyun; Soo-Wohn; Adhikari, Rajesh; Cho, Sung-Hun

    2015-09-01

    This Paper reports the photocatalytic activity of g-C3N4/NaTaO3 hybrid composite photocatalysts synthesized by ball-mill method. The g-C3N4 and NaTaO3 were individually prepared by Solid state reaction and microwave hydrothermal process, respectively. The g-C3N4/NaTaO3 composite showed the enhanced photocatalytic activity for degradation of rhodamine B dye (Rh. B) under simulated solar light irradiation. The results revealed that the band-gap energy absorption edge of hybrid composite samples was shifted to a longer wavelength as compared to NaTaO3 and the 50 wt% g-C3N4/NaTaO3 hybrid composite exhibited the highest percentage (99.6%) of degradation of Rh. B and the highest reaction rate constant (0.013 min(-1)) in 4 h which could be attributed to the enhanced absorption of the hybrid composite photocatalyst in the UV-Vis region. Hence, these results suggest that the g-C3N4/NaTaO3 hybrid composite exhibits enhanced photocatalytic activity for the degradation of rhodamine B under simulated solar light irradiation in comparison to the commercial NaTaO3. PMID:26716296

  13. Synthesis of g-C3N4/NaTaO3 Hybrid Composite Photocatalysts and Their Photocatalytic Activity Under Simulated Solar Light Irradiation.

    PubMed

    Kim, Tae-Ho; Jo, Yong-Hyun; Soo-Wohn; Adhikari, Rajesh; Cho, Sung-Hun

    2015-09-01

    This Paper reports the photocatalytic activity of g-C3N4/NaTaO3 hybrid composite photocatalysts synthesized by ball-mill method. The g-C3N4 and NaTaO3 were individually prepared by Solid state reaction and microwave hydrothermal process, respectively. The g-C3N4/NaTaO3 composite showed the enhanced photocatalytic activity for degradation of rhodamine B dye (Rh. B) under simulated solar light irradiation. The results revealed that the band-gap energy absorption edge of hybrid composite samples was shifted to a longer wavelength as compared to NaTaO3 and the 50 wt% g-C3N4/NaTaO3 hybrid composite exhibited the highest percentage (99.6%) of degradation of Rh. B and the highest reaction rate constant (0.013 min(-1)) in 4 h which could be attributed to the enhanced absorption of the hybrid composite photocatalyst in the UV-Vis region. Hence, these results suggest that the g-C3N4/NaTaO3 hybrid composite exhibits enhanced photocatalytic activity for the degradation of rhodamine B under simulated solar light irradiation in comparison to the commercial NaTaO3.

  14. Optimization of Li-ion Conductivity of Garnet-type Li 5La3Nb2O12 by Nb-site Substitution Approach

    NASA Astrophysics Data System (ADS)

    Pinzaru, Dana Irina

    Solid state Li ion electrolytes based on the garnet type crystal structure have been successfully synthesized using the ceramic method. The approach employed in this thesis was doping of the Nb-site in Li 5La3Nb2O12 with Sm and Gd and Li stuffing into the garnet-like oxides for charge balance. The resulting family of compounds have a nominal formula Li5+2xLa3Nb2-xSm xO12 (0 ≤ x ≤ 0.7) and Li5+2xLa3Nb 2-xGdxO12 (0 ≤ x ≤ 0.45). Experimental techniques used for the characterization of the solid state materials include powder X-ray diffraction (PXRD) to determine the crystal structure, scanning electron microscopy (SEM) to analyze the microstructure, energy dispersive spectroscopy (EDS) to confirm the elemental composition, AC impedance spectroscopy to determine the lithium ion conductivity Fourier transform infrared spectroscopy (FTIR) to confirm the presence of OH - and CO32- groups in the samples and thermogravimetric analysis (TGA) to test the thermal stability of the compound. The most promising samples were the x = 0.3 member of the Sm-doped family and the x = 0.45 member of the Gd-doped family. Li5.6La3Nb 1.7Sm0.3O12 showed a conductivity of 5.84 x 10 -5 S cm-1 at room temperature, with an activation energy of 0.38 eV in the 25-225 °C temperature range Li5+2xLa 3Nb2-xGdxO12 showed the highest conductivity of 1.91 x 10-5 S cm-1 at room temperature with an activation energy of 0.38 eV in the temperature range 25-225 °C. Both show an order of magnitude higher conductivity than the parent compound, Li5La3Nb2O12.

  15. Strong domain configuration dependence of the nonlinear dielectric response in (K,Na)NbO{sub 3}-based ceramics

    SciTech Connect

    Huan, Yu; Wang, Xiaohui Li, Longtu; Koruza, Jurij

    2015-11-16

    The nonlinear dielectric response in (Na{sub 0.52}K{sub 0.4425}Li{sub 0.0375})(Nb{sub 0.92−x}Ta{sub x}Sb{sub 0.08})O{sub 3} ceramics with different amounts of Ta was measured using subcoercive electric fields and quantified by the Rayleigh model. The irreversible extrinsic contribution, mainly caused by the irreversible domain wall translation, was strongly dependent on the domain configuration. The irreversible extrinsic contributions remained approximately the same within the single-phase regions, either orthorhombic or tetragonal, due to the similar domain morphology. However, in the polymorphic phase transition region, the domain wall density was increased by minimized domain size, as observed by transmission electron microscopy. This resulted in constrained domain wall motion due to self-clamping and reduced the irreversible extrinsic contribution.

  16. Photoluminescence Properties and Energy Transfer in a Novel Yellow Emitting Phosphor GdTaO4: Dy3+.

    PubMed

    Zhang, Hijuan; Tan, Xinyu; Wang, Yuhua

    2016-04-01

    The phosphor Dy3+ doped M type gadolinium orthotantalate GdTaO4 was prepared successfully by traditional solid state reaction and the photoluminescence of GdTaO4: xDy3+ (0.01 ≤ x ≤ 0.10) has been investigated under ultraviolet and vacuum ultraviolet excitation. In the excitation spectra of GdTaO4: Dy3+, the overlap appears between the host lattice excitation, the excitation lines of Gd3+ and the f-f transitions of Dy3+, which indicates that the energy transfer could occur from the host to the Dy3+ ions. In the emission spectra of the samples, the intense emissions of Dy3+ have been expectably revealed both upon excitation at 365 nm and 147 nm. And the chromaticity coordinates of GdTaO4: xDy3+ have been correspondingly calculated. The results indicate that GdTaO4: Dy3+ would be a novel yellow emitting phosphor applied in light emitting diodes (LEDs), plasma display panels (PDPs) and mercury-free fluorescent tubes. PMID:27451754

  17. Developing Superconducting Flux Qubit by Using Epitaxial NbN/AlN/NbN Junction

    NASA Astrophysics Data System (ADS)

    Qiu, Wei; Makise, Kazumasa; Terai, Hirotaka; Wang, Zhen

    In an effort to eliminate the intrinsic noise sources that contained within the superconducting qubit circuits, we successfully fabricate superconducting flux qubit circuits (rf SQUID) with full epitaxially grown NbN/AlN/NbN tunnel junctions. The temperature dependent of magnetic flux shift has been investigated by using a NbN/AlN/NbN dc SQUID magnetometer in the temperature range from 20 mK to 2.5 K. Our results show that the shift of the magnetic flux is in the level of ∼1 mF 0 during the experiment.

  18. Ramp wave stress-density measurements of Ta and W

    SciTech Connect

    Eggert, J.; Bastea, M.; Reisman, D. B.; Erskine, D.; Collins, G. W.; Rothman, S.; Davis, J.-P.; Knudson, M. D.; Hayes, D. B.; Gray, G. T. III

    2007-12-12

    Stress-density ({sigma}-{rho}) loading paths of both Ta and W under ramped compression were measured up to 300 GPa. For similar ramp loading conditions, {sigma}({rho}) for Ta lies close to the cold curve and significantly below the Hugoniot, while {sigma}({rho}) for W lies close to the Hugoniot and significantly above the cold curve. The elastic yield limit is reported for W and Ta with thicknesses 400-700 {mu}m.

  19. Nanoscale decomposition of Nb-Ru-O

    NASA Astrophysics Data System (ADS)

    Music, Denis; Geyer, Richard W.; Chen, Yen-Ting

    2016-11-01

    A correlative theoretical and experimental methodology has been employed to explore the decomposition of amorphous Nb-Ru-O at elevated temperatures. Density functional theory based molecular dynamics simulations reveal that amorphous Nb-Ru-O is structurally modified within 10 ps at 800 K giving rise to an increase in the planar metal - oxygen and metal - metal population and hence formation of large clusters, which signifies atomic segregation. The driving force for this atomic segregation process is 0.5 eV/atom. This is validated by diffraction experiments and transmission electron microscopy of sputter-synthesized Nb-Ru-O thin films. Room temperature samples are amorphous, while at 800 K nanoscale rutile RuO2 grains, self-organized in an amorphous Nb-O matrix, are observed, which is consistent with our theoretical predictions. This amorphous/crystalline interplay may be of importance for next generation of thermoelectric devices.

  20. Partial splenic resection using the TA-stapler.

    PubMed

    Uranüs, S; Kronberger, L; Kraft-Kine, J

    1994-07-01

    Since 1987, we have used the TA-stapler for 15 partial resections of the spleen. The cases included 5 second- to third-degree traumatic ruptures, 4 splenic cysts, 3 injuries resulting from accidents during upper-abdominal surgery, 2 diagnostic resections, and 1 intralienal pancreatic cyst. The TA-55 stapler was used 14 times and the TA-90 once. No patient developed postoperative bleeding or required further surgery. Postoperative laboratory chemistry and scintigraphy findings were within the limits indicative of normal function in all cases. The TA-stapler expands the technical possibilities for organ-conserving splenic surgery.

  1. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and dear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiNbO3 Cylinder Fiber is shown. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a 'D'. The core with its surrounding LiNbO, layer would be close to the flat portion of the 'D' shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO, layer. To our knowledge this is the first ever LiNbO, Cylinder Fiber made.

  2. Methylene blue degradation by NaTaO3 sol-gel doped with Sm and La.

    PubMed

    Torres-Martínez, Leticia M; Cruz-López, Arquímedes; Juárez-Ramírez, Isaías; Meza-de la Rosa, Ma Elena

    2009-06-15

    In this work, NaTaO(3) compounds doped with 1M% of La and Sm, were prepared by the sol-gel (SG) method and solid state (SS) reaction; and tested as photocatalysts on the degradation of methylene blue (MB) under UV light. The structural characterization by X-ray powder diffraction revealed that the crystallization of the NaTaO(3) phase prepared by the sol-gel method started at 600 degrees C, reaching maximum crystallization at 800 degrees C. It was determined that the presence of Sm and La retard the crystallization of the NaTaO(3) phase. On the other hand, the compounds synthesized in this work showed particle sizes in the nanometric scale, as it was observed by scanning electron microscopy (SEM). The specific surface area of the compounds synthesized by the sol-gel method, showed values 4 times higher than those obtained by the solid state reaction, favoring their functional and photocatalytic performance in the methylene blue degradation. In addition, the best photocatalytic performance was shown by the NaTaO(3) doped with Sm and heated at 600 degrees C, having a half-life time of 65 min.

  3. Methylene blue degradation by NaTaO3 sol-gel doped with Sm and La.

    PubMed

    Torres-Martínez, Leticia M; Cruz-López, Arquímedes; Juárez-Ramírez, Isaías; Meza-de la Rosa, Ma Elena

    2009-06-15

    In this work, NaTaO(3) compounds doped with 1M% of La and Sm, were prepared by the sol-gel (SG) method and solid state (SS) reaction; and tested as photocatalysts on the degradation of methylene blue (MB) under UV light. The structural characterization by X-ray powder diffraction revealed that the crystallization of the NaTaO(3) phase prepared by the sol-gel method started at 600 degrees C, reaching maximum crystallization at 800 degrees C. It was determined that the presence of Sm and La retard the crystallization of the NaTaO(3) phase. On the other hand, the compounds synthesized in this work showed particle sizes in the nanometric scale, as it was observed by scanning electron microscopy (SEM). The specific surface area of the compounds synthesized by the sol-gel method, showed values 4 times higher than those obtained by the solid state reaction, favoring their functional and photocatalytic performance in the methylene blue degradation. In addition, the best photocatalytic performance was shown by the NaTaO(3) doped with Sm and heated at 600 degrees C, having a half-life time of 65 min. PMID:19042087

  4. Electronic structure and photocatalytic water splitting of lanthanum-doped Bi{sub 2}AlNbO{sub 7}

    SciTech Connect

    Li Yingxuan; Chen Gang Zhang Hongjie; Li Zhonghua

    2009-04-02

    Bi{sub 2-x}La{sub x}AlNbO{sub 7} (0 {<=} x {<=} 0.5) photocatalysts were synthesized by the solid-state reaction method and characterized by powder X-ray diffraction (XRD), infrared (IR) spectra and ultraviolet-visible (UV-vis) spectrophotometer. The band gaps of the photocatalysts were estimated from absorption edge of diffuse reflectance spectra, which were increased by the doping of lanthanum. It was found from the electronic band structure study that orbitals of La 5d, Bi 6p and Nb 4d formed a conduction band at a more positive level than Bi 6p and Nb 4d orbitals, which results in increasing the band gap. Photocatalytic activity for water splitting of Bi{sub 1.8}La{sub 0.2}AlNbO{sub 7} was about 2 times higher than that of nondoped Bi{sub 2}AlNbO{sub 7}. The increased photocatalytic activity of La-doped Bi{sub 2}AlNbO{sub 7} was discussed in relation to the band structure and the strong absorption of OH groups at the surface of the catalyst.

  5. Solid-state lithium battery

    DOEpatents

    Ihlefeld, Jon; Clem, Paul G; Edney, Cynthia; Ingersoll, David; Nagasubramanian, Ganesan; Fenton, Kyle Ross

    2014-11-04

    The present invention is directed to a higher power, thin film lithium-ion electrolyte on a metallic substrate, enabling mass-produced solid-state lithium batteries. High-temperature thermodynamic equilibrium processing enables co-firing of oxides and base metals, providing a means to integrate the crystalline, lithium-stable, fast lithium-ion conductor lanthanum lithium tantalate (La.sub.1/3-xLi.sub.3xTaO.sub.3) directly with a thin metal foil current collector appropriate for a lithium-free solid-state battery.

  6. Fabrication of short-period poled structures and UV sum-frequency generation in 8 mol % MgO-doped congruent LiTaO3 crystal

    NASA Astrophysics Data System (ADS)

    Oka, Toshiharu; Suhara, Toshiaki

    2016-04-01

    Heavily (8 mol %) MgO-doped congruent LiTaO3 (MgO:cLT) crystal has wider transparency range and is expected to have higher photorefractive damage resistance than LiNbO3 or non-doped LT crystal. We obtained uniform PP structures with periods of ∼7 and ∼2 µm in MgO:cLT crystal and demonstrated UV sum-frequency generation (SFG) experiments at 355 nm wavelength for the first time. The FWHM temperature acceptance bandwidths and the normalized SFG efficiencies were close to the calculated values.

  7. Composite solid oxide fuel cell anode based on ceria and strontium titanate

    DOEpatents

    Marina, Olga A.; Pederson, Larry R.

    2008-12-23

    An anode and method of making the same wherein the anode consists of two separate phases, one consisting of a doped strontium titanate phase and one consisting of a doped cerium oxide phase. The strontium titanate phase consists of Sr.sub.1-xM.sub.xTiO.sub.3-.delta., where M is either yttrium (Y), scandium (Sc), or lanthanum (La), where "x" may vary typically from about 0.01 to about 0.5, and where .delta. is indicative of some degree of oxygen non-stoichiometry. A small quantity of cerium may also substitute for titanium in the strontium titanate lattice. The cerium oxide consists of N.sub.yCe.sub.1-yO.sub.2-.delta., where N is either niobium (Nb), vanadium (V), antimony (Sb) or tantalum (Ta) and where "y" may vary typically from about 0.001 to about 0.1 and wherein the ratio of Ti in said first phase to the sum of Ce and N in the second phase is between about 0.2 to about 0.75. Small quantities of strontium, yttrium, and/or lanthanum may additionally substitute into the cerium oxide lattice. The combination of these two phases results in better performance than either phase used separately as an anode for solid oxide fuel cell or other electrochemical device.

  8. Developments in the Ni-Nb-Zr amorphous alloy membranes

    NASA Astrophysics Data System (ADS)

    Sarker, S.; Chandra, D.; Hirscher, M.; Dolan, M.; Isheim, D.; Wermer, J.; Viano, D.; Baricco, M.; Udovic, T. J.; Grant, D.; Palumbo, O.; Paolone, A.; Cantelli, R.

    2016-03-01

    Most of the global H2 production is derived from hydrocarbon-based fuels, and efficient H2/CO2 separation is necessary to deliver a high-purity H2 product. Hydrogen-selective alloy membranes are emerging as a viable alternative to traditional pressure swing adsorption processes as a means for H2/CO2 separation. These membranes can be formed from a wide range of alloys, and those based on Pd are the closest to commercial deployment. The high cost of Pd (USD ~31,000 kg-1) is driving the development of less-expensive alternatives, including inexpensive amorphous (Ni60Nb40)100- x Zr x alloys. Amorphous alloy membranes can be fabricated directly from the molten state into continuous ribbons via melt spinning and depending on the composition can exhibit relatively high hydrogen permeability between 473 and 673 K. Here we review recent developments in these low-cost membrane materials, especially with respect to permeation behavior, electrical transport properties, and understanding of local atomic order. To further understand the nature of these solids, atom probe tomography has been performed, revealing amorphous Nb-rich and Zr-rich clusters embedded in majority Ni matrix whose compositions deviated from the nominal overall composition of the membrane.

  9. Detailed structural characterization of the grafting of [Ta(=CHtBu)(CH2tBu)3] and [Cp*TaMe4] on silica partially dehydroxylated at 700 C and the activity of the grafted complexes toward alkane metathesis

    SciTech Connect

    Le Roux, Erwan; Chabanas, Mathieu; Baudouin, Anne; de Mallmann, Aimery; Coperet, Christophe; Quadrelli, E. Allesandra; Thivolle-Cazat, Jean; Basset, Jean-Marie; Lukens, Wayne; Lesage, Anne; Emsley, Lyndon; Sunley, Glenn J.

    2004-08-30

    The reaction of [Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 3}] or [Cp*Ta(CH{sub 3}){sub 4}] with a silica partially dehydroxylated at 700 C gives the corresponding monosiloxy surface complexes [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}] and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*] by eliminating a {sigma}-bonded ligand as the corresponding alkane (H-CH{sub 2}tBu or H-CH{sub 3}). EXAFS data show that an adjacent siloxane bridge of the surface plays the role of an extra surface ligand, which most likely stabilizes these complexes as in [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a'). In the case of [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})], the structure is further stabilized by an additional interaction: a C-H agostic bond as evidenced by the small J coupling constant for the carbenic C-H (H{sub C-H} = 80 Hz), which was measured by J-resolved 2D solid-state NMR spectroscopy. The product selectivity in propane metathesis in the presence of [({triple_bond}SiO)Ta({double_bond}CHtBu)-(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') as a catalyst precursor and the inactivity of the surface complex [({triple_bond}SiO)Ta-(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a') show that the active site is required to be highly electrophilic and probably involves a metallacyclobutane intermediate.

  10. SOLID SOLUTION CARBIDES ARE THE KEY FUELS FOR FUTURE NUCLEAR THERMAL PROPULSION

    NASA Technical Reports Server (NTRS)

    Panda, Binayak; Hickman, Robert R.; Shah, Sandeep

    2005-01-01

    Nuclear thermal propulsion uses nuclear energy to directly heat a propellant (such as liquid hydrogen) to generate thrust for space transportation. In the 1960 s, the early Rover/Nuclear Engine for Rocket Propulsion Application (NERVA) program showed very encouraging test results for space nuclear propulsion but, in recent years, fuel research has been dismal. With NASA s renewed interest in long-term space exploration, fuel researchers are now revisiting the RoverMERVA findings, which indicated several problems with such fuels (such as erosion, chemical reaction of the fuel with propellant, fuel cracking, and cladding issues) that must be addressed. It is also well known that the higher the temperature reached by a propellant, the larger the thrust generated from the same weight of propellant. Better use of fuel and propellant requires development of fuels capable of reaching very high temperatures. Carbides have the highest melting points of any known material. Efforts are underway to develop carbide mixtures and solid solutions that contain uranium carbide, in order to achieve very high fuel temperatures. Binary solid solution carbides (U, Zr)C have proven to be very effective in this regard. Ternary carbides such as (U, Zr, X) carbides (where X represents Nb, Ta, W, and Hf) also hold great promise as fuel material, since the carbide mixtures in solid solution generate a very hard and tough compact material. This paper highlights past experience with early fuel materials and bi-carbides, technical problems associated with consolidation of the ingredients, and current techniques being developed to consolidate ternary carbides as fuel materials.

  11. Defective Ti2Nb10O27.1: an advanced anode material for lithium-ion batteries

    PubMed Central

    Lin, Chunfu; Yu, Shu; Zhao, Hua; Wu, Shunqing; Wang, Guizhen; Yu, Lei; Li, Yanfang; Zhu, Zi-Zhong; Li, Jianbao; Lin, Shiwei

    2015-01-01

    To explore anode materials with large capacities and high rate performances for the lithium-ion batteries of electric vehicles, defective Ti2Nb10O27.1 has been prepared through a facile solid-state reaction in argon. X-ray diffractions combined with Rietveld refinements indicate that Ti2Nb10O27.1 has the same crystal structure with stoichiometric Ti2Nb10O29 (Wadsley-Roth shear structure with A2/m space group) but larger lattice parameters and 6.6% O2– vacancies (vs. all O2– ions). The electronic conductivity and Li+ion diffusion coefficient of Ti2Nb10O27.1 are at least six orders of magnitude and ~2.5 times larger than those of Ti2Nb10O29, respectively. First-principles calculations reveal that the significantly enhanced electronic conductivity is attributed to the formation of impurity bands in Ti2Nb10O29–x and its conductor characteristic. As a result of the improvements in the electronic and ionic conductivities, Ti2Nb10O27.1 exhibits not only a large initial discharge capacity of 329 mAh g–1 and charge capacity of 286 mAh g–1 at 0.1 C but also an outstanding rate performance and cyclability. At 5 C, its charge capacity remains 180 mAh g–1 with large capacity retention of 91.0% after 100 cycles, whereas those of Ti2Nb10O29 are only 90 mAh g–1 and 74.7%. PMID:26632883

  12. Defective Ti2Nb10O27.1: an advanced anode material for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Lin, Chunfu; Yu, Shu; Zhao, Hua; Wu, Shunqing; Wang, Guizhen; Yu, Lei; Li, Yanfang; Zhu, Zi-Zhong; Li, Jianbao; Lin, Shiwei

    2015-12-01

    To explore anode materials with large capacities and high rate performances for the lithium-ion batteries of electric vehicles, defective Ti2Nb10O27.1 has been prepared through a facile solid-state reaction in argon. X-ray diffractions combined with Rietveld refinements indicate that Ti2Nb10O27.1 has the same crystal structure with stoichiometric Ti2Nb10O29 (Wadsley-Roth shear structure with A2/m space group) but larger lattice parameters and 6.6% O2- vacancies (vs. all O2- ions). The electronic conductivity and Li+ion diffusion coefficient of Ti2Nb10O27.1 are at least six orders of magnitude and ~2.5 times larger than those of Ti2Nb10O29, respectively. First-principles calculations reveal that the significantly enhanced electronic conductivity is attributed to the formation of impurity bands in Ti2Nb10O29-x and its conductor characteristic. As a result of the improvements in the electronic and ionic conductivities, Ti2Nb10O27.1 exhibits not only a large initial discharge capacity of 329 mAh g-1 and charge capacity of 286 mAh g-1 at 0.1 C but also an outstanding rate performance and cyclability. At 5 C, its charge capacity remains 180 mAh g-1 with large capacity retention of 91.0% after 100 cycles, whereas those of Ti2Nb10O29 are only 90 mAh g-1 and 74.7%.

  13. Defective Ti2Nb10O27.1: an advanced anode material for lithium-ion batteries.

    PubMed

    Lin, Chunfu; Yu, Shu; Zhao, Hua; Wu, Shunqing; Wang, Guizhen; Yu, Lei; Li, Yanfang; Zhu, Zi-Zhong; Li, Jianbao; Lin, Shiwei

    2015-01-01

    To explore anode materials with large capacities and high rate performances for the lithium-ion batteries of electric vehicles, defective Ti2Nb10O27.1 has been prepared through a facile solid-state reaction in argon. X-ray diffractions combined with Rietveld refinements indicate that Ti2Nb10O27.1 has the same crystal structure with stoichiometric Ti2Nb10O29 (Wadsley-Roth shear structure with A2/m space group) but larger lattice parameters and 6.6% O(2-) vacancies (vs. all O(2-) ions). The electronic conductivity and Li(+)ion diffusion coefficient of Ti2Nb10O27.1 are at least six orders of magnitude and ~2.5 times larger than those of Ti2Nb10O29, respectively. First-principles calculations reveal that the significantly enhanced electronic conductivity is attributed to the formation of impurity bands in Ti2Nb10O29-x and its conductor characteristic. As a result of the improvements in the electronic and ionic conductivities, Ti2Nb10O27.1 exhibits not only a large initial discharge capacity of 329 mAh g(-1) and charge capacity of 286 mAh g(-1) at 0.1 C but also an outstanding rate performance and cyclability. At 5 C, its charge capacity remains 180 mAh g(-1) with large capacity retention of 91.0% after 100 cycles, whereas those of Ti2Nb10O29 are only 90 mAh g(-1) and 74.7%. PMID:26632883

  14. Structural and dielectric properties of Sr3(MgTa2)O9 and Sr3(ZnTa2)O9

    NASA Astrophysics Data System (ADS)

    Hoque, Md. M.; Dutta, Alo; Kumar, S.; Sinha, T. P.

    2015-07-01

    Herein, we report the crystal structures and morphological properties of Sr3(MgTa2)O9 (SMT) and Sr3(ZnTa2)O9 (SZT) synthesized by solid state ceramic method along with the results of alternating current impedance spectroscopic (ACIS) study in a frequency range from 50 Hz to 1 MHz at selective temperatures between 393 and 573 K. The crystal structures of SMT and SZT have been determined by Rietveld refinement of powder X-ray diffraction pattern using an initial structural model developed on the basis of literature survey. The results indicate that both the samples possess hexagonal structure of trigonal P 3 bar m 1 space group. The lattice parameters of SMT are a=b=5.65162 Å, c=6.94440 Å, α=β=90° and γ=120° and those of SZT are a=b=5.65832 Å, c=6.95911 Å and α=β=90° and γ=120°. SMT and SZT are isostructural and they exhibit 2:1 B site ordering with the staking sequence of {-Ta-Ta-Mg (Zn)-} (Mg for SMT and Zn for SZT) layer repeat on (111) plane of the pseudocells. The characteristic vibrational bands due to Ta-O, Mg-O and Zn-O bonds have been observed in the FTIR spectra of the samples. The FESEM micrographs of the samples show that the grains size ranges between 0.40 and 3.65 μm and 0.9 to 4.2 μm for SMT and SZT, respectively. To account for the polydispersive nature of the dielectric relaxation mechanism along with the effects of dc conductivity and localized space charges the variation of real (ε‧) and imaginary (ε″) parts of dielectric constant with frequency has been analytically interpreted in the framework of modified Cole-Cole model. SMT and SZT having the activation energies of 0.35 eV and 0.33 eV, respectively (obtained from the Arrhenius plot of dc conductivity), are semiconducting in nature. The electrical current conduction in the samples occurs by polaron hopping process. Further, we have shown that chemical property of A site cations has significant role in determining the dielectric properties of A3B‧B″2O9 type perovskites

  15. The crystal structure of Hf{sub 1.5+{delta}}Nb{sub 1.5-{delta}}As and structure-composition relations in the section Hf{sub 3}As-Nb{sub 3}As

    SciTech Connect

    Warczok, Piotr; Chumak, Igor

    2009-04-15

    The title compound Hf{sub 1.5+{delta}}Nb{sub 1.5-{delta}}As was characterized by means of single crystal X-ray diffraction. It represents a new structure type of intermetallic compounds (space group Pnma; lattice parameters a=7.142(2) A, b=3.583(2) A, c=11.640(2) A) and shows a small homogeneity range corresponding to (0.1Nb{sub 1.5-{delta}}As shows significant preferred site occupation of Hf and Nb at the three independent metal positions (differential fractional site occupancy). Structure-composition relations in the section Hf{sub 3}As-Nb{sub 3}As which also contains the new phase Hf{sub 2+{delta}}Nb{sub 1-{delta}}As with Ti{sub 3}P-type structure (space group P4{sub 2}/n) are discussed. Ground state energies of various ordered compounds with Hf{sub 1.5+{delta}}Nb{sub 1.5-{delta}}As-, Ti{sub 3}P- and Ta{sub 3}As-type structures were calculated from ab initio density functional theory. These energies were used for thermodynamic calculations employing the compound energy formalism (CEF) with the aim to model the experimentally observed site fraction data for both ternary compounds as well as Gibbs energies at the temperature of equilibration (1400 deg. C). - Graphical abstract: Hf{sub 1.5+{delta}}Nb{sub 1.5-{delta}}As with a new structure type (space group Pnma; lattice parameters a=7.142(2) A, b=3.583(2) A, c=11.640(2)A) was synthesized. Phase relations, energies and partial ordering in the section Hf{sub 3}As-Nb{sub 3}As were studied by first principle DFT calculations and thermodynamic modelling.

  16. 75 FR 43556 - TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-26

    ... Employment and Training Administration TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel, MT; TA-W-73,381C, Livingston, MT; TA-W-73,381D, Helena, MT; Amended... in the Federal Register on July 7, 2010 (75 FR 39049). At the request of the State Agency,...

  17. Characterization of NaTaO3 synthesized by ultrasonic method.

    PubMed

    Vázquez-Cuchillo, O; Manzo-Robledo, A; Zanella, R; Elizondo-Villareal, N; Cruz-López, A

    2013-01-01

    NaTaO(3) perovskite-like materials were synthesized using sodium acetate and tantalum ethoxide as precursors in an ultrasonic bath at room temperature. The pristine sample was thermally treated at 600 °C and characterized using XRD, N(2) physisorption, DRS, SEM and TEM techniques. The structural characterization by X-ray powder diffraction revealed that the crystallization of the NaTaO(3) phase prepared at 600 °C showed agglomerates sizes in the micrometric scale, as confirmed by scanning electron microscopy (SEM). On the other hand, well-defined NaTaO(3) particles in the nanometric scale were determined using TEM. It was found that, for the treated sample, the band gap and BET area was 3.8 eV and 9.5m(2) g(-1), respectively. The annealed perovskite, deposited onto ITO glass, presented an important variation in the open circuit potential transient during UV light irradiation in neutral solution, compared with its counterpart prepared by solid-state method. These intrinsic properties, given by the preparation route, might be appropriate for increase its photocatalytic activity.

  18. Characterization of NaTaO3 synthesized by ultrasonic method.

    PubMed

    Vázquez-Cuchillo, O; Manzo-Robledo, A; Zanella, R; Elizondo-Villareal, N; Cruz-López, A

    2013-01-01

    NaTaO(3) perovskite-like materials were synthesized using sodium acetate and tantalum ethoxide as precursors in an ultrasonic bath at room temperature. The pristine sample was thermally treated at 600 °C and characterized using XRD, N(2) physisorption, DRS, SEM and TEM techniques. The structural characterization by X-ray powder diffraction revealed that the crystallization of the NaTaO(3) phase prepared at 600 °C showed agglomerates sizes in the micrometric scale, as confirmed by scanning electron microscopy (SEM). On the other hand, well-defined NaTaO(3) particles in the nanometric scale were determined using TEM. It was found that, for the treated sample, the band gap and BET area was 3.8 eV and 9.5m(2) g(-1), respectively. The annealed perovskite, deposited onto ITO glass, presented an important variation in the open circuit potential transient during UV light irradiation in neutral solution, compared with its counterpart prepared by solid-state method. These intrinsic properties, given by the preparation route, might be appropriate for increase its photocatalytic activity. PMID:22981167

  19. Lecture Discourse of a Foreign TA: A Preliminary Needs Assessment.

    ERIC Educational Resources Information Center

    Gillette, Susan

    1982-01-01

    A study of the communication skill needs of the foreign teaching associate (TA) in American universities focused on two questions: (1) What does a foreign TA do to communicate information in an American classroom in terms of comunication strategies and devices for cohesion and coherence of discourse? and (2) How does this compare with the way an…

  20. TA-59 North Parking Lot and Pajarito Road Corridor Analysis

    SciTech Connect

    Not Available

    1993-12-01

    The purpose of this report is to provide traffic engineering services for the TA-59 North Parking Lot/Pajarito Road corridor Analysis at Los Alamos National Laboratory. The following tasks were accomplished to assess the development of the north parking lot and Pajarito Road in the vicinity of TA-59: conducted turning-movement counts from 7 AM to 9 AM and from 4 PM to 6 PM at the Pajarito Road/TA-59 intersection; conducted a parking supply and demand survey for all the parking lots within TA-59 on half-hour intervals between 0600--1800 (6 AM to 6 PM); conducted mid-day directional speed study along Pajarito Road, just east or south of the TA-59/Pajarito Road intersection; conducted peak hour gap study on Pajarito Road in the vicinity of TA-59; reviewed the TA-59 Parking Lot North of Pajarito Road, FY-94 Weapons GPP Short List Candidate {number_sign}9 report and other documents pertaining to past transportation studies; reassigned current turning-movement volumes with a 100 space parking lot being built on the north side of Pajarito Road; prepared traffic projections for the Pajarito Road/TA-59 intersection according to the proposed development on the north side of Pajarito Road that would employee 246 people; and assigned pedestrian crossing volumes between the northern lot/future development site and areas south of Pajarito Road.

  1. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    Kornreich, Philip

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and clear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiN bo, Cylinder Fiber. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a "D". The core with its surrounding LiNbO, layer would be close to the flat portion of the "D" shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO3 layer. To our knowledge this is the first ever LiNbO3 Cylinder Fiber made.

  2. Direct evidence of an incommensurate phase in NaNbO{sub 3} and its implication in NaNbO{sub 3}-based lead-free antiferroelectrics

    SciTech Connect

    Guo, Hanzheng; Randall, Clive A.; Shimizu, Hiroyuki

    2015-09-14

    Hot-stage in situ transmission electron microscopy was employed to investigate the temperature-induced complex sequence of phase transitions in NaNbO{sub 3} polycrystalline. In addition to the commonly recognized P (Pbma) → R (Pmnm) → S (Pnmm) phase transitions, incommensurate phases were observed to exist in P and R phase regions. The former (in the P → R transition region) is coincident with a diffused dielectric peak appearing at ∼170 °C, and the latter (in the R → S transition region) serves as an intermediate structure to bridge the two sub-phases in the R phase region. The incommensurate phase in the P phase region can be inferred from the polarization current density and differential dielectric permittivity anomalies, and it provides the bridge structure during the electric field-induced polarization reversal and antiferroelectric-to-ferroelectric transition in NaNbO{sub 3} solid solutions.

  3. Characterization and Modeling of Nonfilamentary Ta/TaOx/TiO2/Ti Analog Synaptic Device.

    PubMed

    Wang, Yu-Fen; Lin, Yen-Chuan; Wang, I-Ting; Lin, Tzu-Ping; Hou, Tuo-Hung

    2015-01-01

    A two-terminal analog synaptic device that precisely emulates biological synaptic features is expected to be a critical component for future hardware-based neuromorphic computing. Typical synaptic devices based on filamentary resistive switching face severe limitations on the implementation of concurrent inhibitory and excitatory synapses with low conductance and state fluctuation. For overcoming these limitations, we propose a Ta/TaOx/TiO2/Ti device with superior analog synaptic features. A physical simulation based on the homogeneous (nonfilamentary) barrier modulation induced by oxygen ion migration accurately reproduces various DC and AC evolutions of synaptic states, including the spike-timing-dependent plasticity and paired-pulse facilitation. Furthermore, a physics-based compact model for facilitating circuit-level design is proposed on the basis of the general definition of memristor devices. This comprehensive experimental and theoretical study of the promising electronic synapse can facilitate realizing large-scale neuromorphic systems. PMID:25955658

  4. Characterization and Modeling of Nonfilamentary Ta/TaOx/TiO2/Ti Analog Synaptic Device

    PubMed Central

    Wang, Yu-Fen; Lin, Yen-Chuan; Wang, I-Ting; Lin, Tzu-Ping; Hou, Tuo-Hung

    2015-01-01

    A two-terminal analog synaptic device that precisely emulates biological synaptic features is expected to be a critical component for future hardware-based neuromorphic computing. Typical synaptic devices based on filamentary resistive switching face severe limitations on the implementation of concurrent inhibitory and excitatory synapses with low conductance and state fluctuation. For overcoming these limitations, we propose a Ta/TaOx/TiO2/Ti device with superior analog synaptic features. A physical simulation based on the homogeneous (nonfilamentary) barrier modulation induced by oxygen ion migration accurately reproduces various DC and AC evolutions of synaptic states, including the spike-timing-dependent plasticity and paired-pulse facilitation. Furthermore, a physics-based compact model for facilitating circuit-level design is proposed on the basis of the general definition of memristor devices. This comprehensive experimental and theoretical study of the promising electronic synapse can facilitate realizing large-scale neuromorphic systems. PMID:25955658

  5. Characterization and Modeling of Nonfilamentary Ta/TaOx/TiO2/Ti Analog Synaptic Device

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Fen; Lin, Yen-Chuan; Wang, I.-Ting; Lin, Tzu-Ping; Hou, Tuo-Hung

    2015-05-01

    A two-terminal analog synaptic device that precisely emulates biological synaptic features is expected to be a critical component for future hardware-based neuromorphic computing. Typical synaptic devices based on filamentary resistive switching face severe limitations on the implementation of concurrent inhibitory and excitatory synapses with low conductance and state fluctuation. For overcoming these limitations, we propose a Ta/TaOx/TiO2/Ti device with superior analog synaptic features. A physical simulation based on the homogeneous (nonfilamentary) barrier modulation induced by oxygen ion migration accurately reproduces various DC and AC evolutions of synaptic states, including the spike-timing-dependent plasticity and paired-pulse facilitation. Furthermore, a physics-based compact model for facilitating circuit-level design is proposed on the basis of the general definition of memristor devices. This comprehensive experimental and theoretical study of the promising electronic synapse can facilitate realizing large-scale neuromorphic systems.

  6. Characterization and Modeling of Nonfilamentary Ta/TaOx/TiO2/Ti Analog Synaptic Device.

    PubMed

    Wang, Yu-Fen; Lin, Yen-Chuan; Wang, I-Ting; Lin, Tzu-Ping; Hou, Tuo-Hung

    2015-01-01

    A two-terminal analog synaptic device that precisely emulates biological synaptic features is expected to be a critical component for future hardware-based neuromorphic computing. Typical synaptic devices based on filamentary resistive switching face severe limitations on the implementation of concurrent inhibitory and excitatory synapses with low conductance and state fluctuation. For overcoming these limitations, we propose a Ta/TaOx/TiO2/Ti device with superior analog synaptic features. A physical simulation based on the homogeneous (nonfilamentary) barrier modulation induced by oxygen ion migration accurately reproduces various DC and AC evolutions of synaptic states, including the spike-timing-dependent plasticity and paired-pulse facilitation. Furthermore, a physics-based compact model for facilitating circuit-level design is proposed on the basis of the general definition of memristor devices. This comprehensive experimental and theoretical study of the promising electronic synapse can facilitate realizing large-scale neuromorphic systems.

  7. Calculations of stopping powers of 100 eV-30 keV electrons in 31 elemental solids

    SciTech Connect

    Tanuma, S.; Powell, C. J.; Penn, D. R.

    2008-03-15

    We present calculated electron stopping powers (SPs) for 31 elemental solids (Li, Be, glassy C, graphite, diamond, Na, Mg, K, Sc, Ti, V, Fe, Y, Zr, Nb, Mo, Ru, Rh, In, Sn, Cs, Gd, Tb, Dy, Hf, Ta, W, Re, Os, Ir, and Bi). These SPs were determined with an algorithm previously used for the calculation of electron inelastic mean free paths and from energy-loss functions (ELFs) derived from experimental optical data. The SP calculations were made for electron energies between 100 eV and 30 keV and supplement our earlier SP calculations for ten additional solids (Al, Si, Cr, Ni, Cu, Ge, Pd, Ag, Pt, and Au). Plots of SP versus atomic number for the group of 41 solids show clear trends. Multiple peaks and shoulders are seen that result from the contributions of valence-electron and various inner-shell excitations. Satisfactory agreement was found between the calculated SPs and values from the relativistic Bethe SP equation with recommended values of the mean excitation energy (MEE) for energies above 10 keV. We determined effective MEEs versus maximum excitation energy from the ELFs for each solid. Plots of effective MEE versus atomic number showed the relative contributions of valence-electron and different core-electron excitations to the MEE. For a maximum excitation energy of 30 keV, our effective MEEs agreed well for Be, graphite, Na, Al, and Si with recommended MEEs; a difference for Li was attributed to sample oxidation in the SP measurements for the recommended MEE. Substantially different effective MEEs were found for the three carbon allotropes (graphite, diamond, and glassy C)

  8. Cu0.02Ti0.94Nb2.04O7: An advanced anode material for lithium-ion batteries of electric vehicles

    NASA Astrophysics Data System (ADS)

    Yang, Chao; Lin, Chunfu; Lin, Shiwei; Chen, Yongjun; Li, Jianbao

    2016-10-01

    To explore advanced anode materials for lithium-ion batteries of electric vehicles, Cu2+/Nb5+ co-doped TiNb2O7 is studied. Cu0.02Ti0.94Nb2.04O7 is successfully fabricated using a facile solid-state reaction. X-ray diffraction analyses combined with Rietveld refinements demonstrate that the trace Cu2+/Nb5+ co-doping does not destroy the shear ReO3 crystal structure of TiNb2O7 but increases the lattice parameters and unit cell volume. Specific surface area tests and scanning electron microscopy images reveal a smaller average particle size in Cu0.02Ti0.94Nb2.04O7. Due to the increased unit cell volume and free 3d electrons in Cu2+ ions, the Li+-ion diffusion coefficient and electronic conductivity of Cu0.02Ti0.94Nb2.04O7 are respectively enhanced by 14.8 times and at least 220 times. Consequently, Cu0.02Ti0.94Nb2.04O7 exhibits advanced electrochemical properties in terms of specific capacity, rate capability and cyclic stability. At 0.1 C, it delivers a large first-cycle discharge/charge capacity of 346/315 mAh g-1. At 10 C, it still provides a large capacity of 182 mAh g-1 with tiny loss of only 1.2% over 1000 cycles. In sharp contrast, TiNb2O7 shows a small capacity of only 90 mAh g-1 and large loss of 59.8%. Therefore, Cu0.02Ti0.94Nb2.04O7 possesses great potential for the application in lithium-ion batteries for electric vehicles.

  9. Enhanced Electrorheological Performance of Nb-Doped TiO2 Microspheres Based Suspensions and Their Behavior Characteristics in Low-Frequency Dielectric Spectroscopy.

    PubMed

    Guo, Xiaosong; Chen, Yulu; Su, Ming; Li, Dong; Li, Guicun; Li, Chengdong; Tian, Yu; Hao, Chuncheng; Lei, Qingquan

    2015-12-01

    Titanium dioxide and Nb-doped titanium dioxide microspheres with the same size were fabricated by a simple sol-gel method, and the formation mechanism of Nb-doped titanium dioxide microspheres was proposed. Titanium dioxide and Nb-doped titanium dioxide microspheres were adopted as dispersed materials for electrorheological (ER) fluids to investigate the influence of the charge increase introduced by Nb doping on the ER activity. The results showed that Nb doping could effectively enhance the ER performance. Combining with the analysis of dielectric spectroscopy, it was found that the interface polarization of Nb-doped TiO2 ER fluid was larger than that of TiO2 ER fluid, which might be caused by more surface charges in Nb-TiO2 microspheres due to Nb(5+) doping and resulting in enhancement of electric field force and strengthening of fibrous structure. In addition, by comparing and analyzing the permittivity curves of Nb-TiO2/LDPE solid composite and Nb-TiO2/silicone-oil fluid composite, it could be concluded that the enhancement of permittivity at low frequency resulted from the increase of the order degree of dispersed particles in ER fluid rather than from the quasi-dc (QDC) behavior. Moreover, the absolute value of slope of permittivity curves (K) at 0.01 Hz could be utilized as the standard for judging the ability to maintain the chainlike structure. The relationships between polarizability of dispersed particles, dielectric spectrum, parameter K, and ER properties were discussed in detail.

  10. Strengthening Mechanisms in Thermomechanically Processed NbTi-Microalloyed Steel

    NASA Astrophysics Data System (ADS)

    Kostryzhev, Andrii G.; Marenych, Olexandra O.; Killmore, Chris R.; Pereloma, Elena V.

    2015-08-01

    The effect of deformation temperature on microstructure and mechanical properties was investigated for thermomechanically processed NbTi-microalloyed steel with ferrite-pearlite microstructure. With a decrease in the finish deformation temperature at 1348 K to 1098 K (1075 °C to 825 °C) temperature range, the ambient temperature yield stress did not vary significantly, work hardening rate decreased, ultimate tensile strength decreased, and elongation to failure increased. These variations in mechanical properties were correlated to the variations in microstructural parameters (such as ferrite grain size, solid solution concentrations, precipitate number density and dislocation density). Calculations based on the measured microstructural parameters suggested the grain refinement, solid solution strengthening, precipitation strengthening, and work hardening contributed up to 32 pct, up to 48 pct, up to 25 pct, and less than 3 pct to the yield stress, respectively. With a decrease in the finish deformation temperature, both the grain size strengthening and solid solution strengthening increased, the precipitation strengthening decreased, and the work hardening contribution did not vary significantly.

  11. 77 FR 64827 - Investigation Nos. 701-TA-402 and 731-TA-892 (Second Review); Honey From Argentina; Termination...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-23

    ... party responded to the sunset review notice of initiation by the applicable deadline (77 FR 58524... COMMISSION Investigation Nos. 701-TA-402 and 731-TA-892 (Second Review); Honey From Argentina; Termination of... countervailing duty order and antidumping duty order on imports of honey from Argentina would be likely to...

  12. Reactive magnetron cosputtering of hard and conductive ternary nitride thin films: Ti-Zr-N and Ti-Ta-N

    SciTech Connect

    Abadias, G.; Koutsokeras, L. E.; Dub, S. N.; Tolmachova, G. N.; Debelle, A.; Sauvage, T.; Villechaise, P.

    2010-07-15

    Ternary transition metal nitride thin films, with thickness up to 300 nm, were deposited by dc reactive magnetron cosputtering in Ar-N{sub 2} plasma discharges at 300 deg. C on Si substrates. Two systems were comparatively studied, Ti-Zr-N and Ti-Ta-N, as representative of isostructural and nonisostructural prototypes, with the aim of characterizing their structural, mechanical, and electrical properties. While phase-separated TiN-ZrN and TiN-TaN are the bulk equilibrium states, Ti{sub 1-x}Zr{sub x}N and Ti{sub 1-y}Ta{sub y}N solid solutions with the Na-Cl (B1-type) structure could be stabilized in a large compositional range (up to x=1 and y=0.75, respectively). Substituting Ti atoms by either Zr or Ta atoms led to significant changes in film texture, microstructure, grain size, and surface morphology, as evidenced by x-ray diffraction, x-ray reflectivity, and scanning electron and atomic force microscopies. The ternary Ti{sub 1-y}Ta{sub y}N films exhibited superior mechanical properties to Ti{sub 1-x}Zr{sub x}N films as well as binary compounds, with hardness as high as 42 GPa for y=0.69. All films were metallic, the lowest electrical resistivity {rho}{approx}65 {mu}{Omega} cm being obtained for pure ZrN, while for Ti{sub 1-y}Ta{sub y}N films a minimum was observed at y{approx}0.3. The evolution of the different film properties is discussed based on microstructrural investigations.

  13. Lattice dynamics of the high-temperature shape-memory alloy Nb-Ru

    SciTech Connect

    Shapiro, S. M.; Xu, G.; Gu, G.; Fonda, R. W.

    2006-06-01

    Nb-Ru is a high-temperature shape-memory alloy that undergoes a martensitic transformation from a parent cubic {beta}-phase into a tetragonal {beta}{sup '} phase at T{sub M}{approx}900 deg. C. Measurements of the phonon dispersion curves on a single crystal show that the [110]-TA{sub 2} phonon branch, corresponding in the q=0 limit to the elastic constant C{sup '}=1/2(C{sub 11}-C{sub 12}) has an anomalous temperature dependence. Nearly the entire branch softens with decreasing temperature as T{sub M} is approached. The temperature dependence of the low-q phonon energies suggests that the elastic constants would approach 0 as T approaches T{sub M}, indicating a second-order transition. No additional lattice modulation is observed in the cubic phase.

  14. Structural aspects of glass-formation in Ni-Nb melts

    SciTech Connect

    Holland-Moritz, D.; Yang, F.; Gegner, J.; Meyer, A.; Hansen, T.; Ruiz-Martín, M. D.

    2014-05-28

    We report on investigations of the static structure factors of glass-forming Ni{sub 59.5}Nb{sub 40.5} alloy melts by combination of the containerless processing technique of electrostatic levitation with neutron diffraction. By application of the isotopic substitution method, the full set of partial structure factors was determined. The short-range order in liquid Ni{sub 59.5}Nb{sub 40.5} is characterized by a large nearest neighbor coordination number of Z{sub NN} = 14.3 and a chemical short-range order with an affinity for the formation of heterogeneous Nb-Ni nearest neighbors. The structure factors observed here in the liquid state closely resemble those reported for amorphous Nb-Ni solids. The comparison with earlier results on the short-range structure in Zr-based glass-forming melts suggests that a large local density of packing, chemical order, and structural frustration are, amongst others, common structural properties of these metallic glass-forming systems, which favor glass-formation.

  15. Electrical Conductivity, Thermoelectric Power, and Equilibration Kinetics of Nb-Doped TiO2.

    PubMed

    Nowotny, Janusz; Bak, Tadeusz; Dickey, Elisabeth C; Sigmund, Wolfgang; Alim, Mohammad A

    2016-09-01

    This work considers the equilibration kinetics of Nb-doped TiO2 single crystal (0.066 atom % Nb) during oxidation and reduction within a wide range of temperature (1073-1298 K) and oxygen activity (10(-14)-10(5) Pa). The associated semiconducting properties were determined using simultaneous measurements of both electrical conductivity and thermoelectric power. It is shown that the chemical diffusion coefficient in the strongly reducing regime, p(O2) < 10(-5) Pa, is 4 orders of magnitude larger than that in the reducing and oxidizing regimes, 10 Pa < p(O2) < 22 kPa. The derived theoretical model considers the gas/solid kinetics for the TiO2/O2 system in terms of two diffusion regimes: the fast regime related to fast defects (oxygen vacancies and titanium interstitials) and leading to quasi-equilibrium, and the slow regime associated with slow defects (titanium vacancies) resulting in the gas/solid equilibrium. It has been shown that incorporation of donor-type elements, such as niobium, and imposition of oxygen activity above a certain critical value, results in a substantial reduction in the concentration of high mobility defects and leads to slowing down the equilibration kinetics. In consequence, the fast kinetic regime is not observed. Comparison of the kinetic data for Nb-doped TiO2 single crystal (this work) and polycrystalline Nb-doped TiO2 (reported before) indicates that the gas/solid kinetics for the polycrystalline specimen at higher oxygen activities is rate controlled by the transport of oxygen within individual grains.

  16. Electrical Conductivity, Thermoelectric Power, and Equilibration Kinetics of Nb-Doped TiO2.

    PubMed

    Nowotny, Janusz; Bak, Tadeusz; Dickey, Elisabeth C; Sigmund, Wolfgang; Alim, Mohammad A

    2016-09-01

    This work considers the equilibration kinetics of Nb-doped TiO2 single crystal (0.066 atom % Nb) during oxidation and reduction within a wide range of temperature (1073-1298 K) and oxygen activity (10(-14)-10(5) Pa). The associated semiconducting properties were determined using simultaneous measurements of both electrical conductivity and thermoelectric power. It is shown that the chemical diffusion coefficient in the strongly reducing regime, p(O2) < 10(-5) Pa, is 4 orders of magnitude larger than that in the reducing and oxidizing regimes, 10 Pa < p(O2) < 22 kPa. The derived theoretical model considers the gas/solid kinetics for the TiO2/O2 system in terms of two diffusion regimes: the fast regime related to fast defects (oxygen vacancies and titanium interstitials) and leading to quasi-equilibrium, and the slow regime associated with slow defects (titanium vacancies) resulting in the gas/solid equilibrium. It has been shown that incorporation of donor-type elements, such as niobium, and imposition of oxygen activity above a certain critical value, results in a substantial reduction in the concentration of high mobility defects and leads to slowing down the equilibration kinetics. In consequence, the fast kinetic regime is not observed. Comparison of the kinetic data for Nb-doped TiO2 single crystal (this work) and polycrystalline Nb-doped TiO2 (reported before) indicates that the gas/solid kinetics for the polycrystalline specimen at higher oxygen activities is rate controlled by the transport of oxygen within individual grains. PMID:27490974

  17. Magnetization anomaly of Nb3Al strands and instability of Nb3Al Rutherford cables

    SciTech Connect

    Yamada, Ryuji; Kikuchi, Akihiro; Wake, Masayoshi; /KEK, Tsukuba

    2006-08-01

    Using a Cu stabilized Nb{sub 3}Al strand with Nb matrix, a 30 meter long Nb{sub 3}Al Rutherford cable was made by a collaboration of Fermilab and NIMS. Recently the strand and cable were tested. In both cases instability was observed at around 1.5 Tesla. The magnetization of this Nb{sub 3}Al strand was measured first using a balanced coil magnetometer at 4.2 K. Strands showed an anomalously large magnetization behavior around at 1.6 T, which is much higher than the usual B{sub c2} {approx} 0.5 Tesla (4.2 K) of Nb matrix. This result is compared with the magnetization data of short strand samples using a SQUID magnetometer, in which a flux-jump signal was observed at 0.5 Tesla, but not at higher field. As a possible explanation for this magnetization anomaly, the interfilament coupling through the thin Nb films in the strands is suggested. The instability problem observed in low field tests of the Nb{sub 3}Al Rutherford cables is attributed to this effect.

  18. O-GlcNAc-mediated interaction between VER2 and TaGRP2 elicits TaVRN1 mRNA accumulation during vernalization in winter wheat

    PubMed Central

    Xiao, Jun; Xu, Shujuan; Li, Chunhua; Xu, Yunyuan; Xing, Lijing; Niu, Yuda; Huan, Qing; Tang, Yimiao; Zhao, Changping; Wagner, Doris; Gao, Caixia; Chong, Kang

    2014-01-01

    Vernalization, sensing of prolonged cold, is important for seasonal flowering in eudicots and monocots. While vernalization silences a repressor (FLC, MADS-box transcription factor) in eudicots, it induces an activator (TaVRN1, an AP1 clade MADS-box transcription factor) in monocots. The mechanism for TaVRN1 induction during vernalization is not well understood. Here we reveal a novel mechanism for controlling TaVRN1 mRNA accumulation in response to prolonged cold sensing in wheat. The carbohydrate-binding protein VER2, a jacalin lectin, promotes TaVRN1 upregulation by physically interacting with the RNA-binding protein TaGRP2. TaGRP2 binds to TaVRN1 pre-mRNA and inhibits TaVRN1 mRNA accumulation. The physical interaction between VER2 and TaGRP2 is controlled by TaGRP2 O-GlcNAc modification, which gradually increases during vernalization. The interaction between VER2 and O-GlcNAc-TaGRP2 reduces TaGRP2 protein accumulation in the nucleus and/or promotes TaGRP2 dissociation from TaVRN1, leading to TaVRN1 mRNA accumulation. Our data reveal a new mechanism for sensing prolonged cold in temperate cereals. PMID:25091017

  19. Transition probabilities of astrophysical interest in the niobium ions Nb+ and Nb2+

    NASA Astrophysics Data System (ADS)

    Nilsson, H.; Hartman, H.; Engström, L.; Lundberg, H.; Sneden, C.; Fivet, V.; Palmeri, P.; Quinet, P.; Biémont, É.

    2010-02-01

    Aims: We attempt to derive accurate transition probabilities for astrophysically interesting spectral lines of ion{Nb}{ii} and ion{Nb}{iii} and determine the niobium abundance in the Sun and metal-poor stars rich in neutron-capture elements. Methods: We used the time-resolved laser-induced fluorescence technique to measure radiative lifetimes in ion{Nb}{ii}. Branching fractions were measured from spectra recorded using Fourier transform spectroscopy. The radiative lifetimes and the branching fractions were combined yielding transition probabilities. In addition, we calculated lifetimes and transition probablities in ion{Nb}{ii} and ion{Nb}{iii} using a relativistic Hartree-Fock method that includes core polarization. Abundances of the sun and five metal-poor stars were derived using synthetic spectra calculated with the MOOG code, including hyperfine broadening of the lines. Results: We present laboratory measurements of 17 radiative lifetimes in ion{Nb}{ii}. By combining these lifetimes with branching fractions for lines depopulating the levels, we derive the transition probabilities of 107 ion{Nb}{ii} lines from 4d35p configuration in the wavelength region 2240-4700 Å. For the first time, we present theoretical transition probabilities of 76 Nb III transitions with wavelengths in the range 1430-3140 Å. The derived solar photospheric niobium abundance log ɛ_⊙ = 1.44 ± 0.06 is in agreement with the meteoritic value. The stellar Nb/Eu abundance ratio determined for five metal-poor stars confirms that the r-process is a dominant production method for the n-capture elements in these stars.

  20. Polar catastrophe and the structure of KTa1-xNbxO₃ surfaces: Results from elastic and inelastic helium atom scattering

    SciTech Connect

    Flaherty, F. A.; Trelenberg, T. W.; Li, J. A.; Fatema, R.; Skofronick, J. G.; Van Winkle, D. H.; Safron, S. A.; Boatner, L. A.

    2015-07-13

    The structure and dynamics of cleaved (001) surfaces of potassium tantalates doped with niobium, KTa1-xNbxO₃ (KTN), with x ranging from 0% to 30%, were measured by helium atom scattering (HAS). Through HAS time-of-flight (TOF) experiments, a dispersionless branch (Einstein phonon branch) with energy of 13-14 meV was observed across the surface Brillouin zone in all samples. When this observation is combined with the results from earlier experimental and theoretical studies on these materials, a consistent picture of the stable surface structure emerges: After cleaving the single-crystal sample, the surface should be composed of equal areas of KO and TaO₂/NbO₂ terraces. The data, however, suggest that K⁺ and O²⁻ ions migrate from the bulk to the surface, forming a charged KO lattice that is neutralized primarily by additional K⁺ ions bridging pairs of surface oxygens. This structural and dynamic modification at the (001) surface of KTN appears due to its formally charged KO(-1) and TaO₂/NbO₂(+1) layers and avoids a “polar catastrophe.” This behavior is contrasted with the (001) surface behavior of the fluoride perovskite KMnF₃ with its electrically neutral KF and MnF₂ layers.