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Sample records for nb mo hf

  1. 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

  2. Systematic study on the electronic structure and mechanical properties of X2BC (X = Mo, Ti, V, Zr, Nb, Hf, Ta and W)

    NASA Astrophysics Data System (ADS)

    Bolvardi, H.; Emmerlich, J.; Baben, M. to; Music, D.; von Appen, J.; Dronskowski, R.; Schneider, J. M.

    2013-01-01

    In this work the electronic structure and mechanical properties of the phases X2BC with X =Ti, V, Zr, Nb, Mo, Hf, Ta, W (Mo2BC-prototype) were studied using ab initio calculations. As the valence electron concentration (VEC) per atom is increased by substitution of the transition metal X, the six very strong bonds between the transition metal and the carbon shift to lower energies relative to the Fermi level, thereby increasing the bulk modulus to values of up to 350 GPa, which corresponds to 93% of the value reported for c-BN. Systems with higher VEC appear to be ductile as inferred from both the more positive Cauchy pressure and the larger value of the bulk to shear modulus ratio (B/G). The more ductile behavior is a result of the more delocalized interatomic interactions due to larger orbital overlap in smaller unit cells. The calculated phase stabilities show an increasing trend as the VEC is decreased. This rather unusual combination of high stiffness and moderate ductility renders X2BC compounds with X = Ta, Mo and W as promising candidates for protection of cutting and forming tools.

  3. Influence of boron vacancies on phase stability, bonding and structure of MB 2 (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) with AlB2 type structure

    NASA Astrophysics Data System (ADS)

    Dahlqvist, Martin; Jansson, Ulf; Rosen, Johanna

    2015-11-01

    Transition metal diborides in hexagonal AlB2 type structure typically form stable MB 2 phases for group IV elements (M  =  Ti, Zr, Hf). For group V (M  =  V, Nb, Ta) and group VI (M  =  Cr, Mo, W) the stability is reduced and an alternative hexagonal rhombohedral MB 2 structure becomes more stable. In this work we investigate the effect of vacancies on the B-site in hexagonal MB 2 and its influence on the phase stability and the structure for TiB2, ZrB2, HfB2, VB2, NbB2, TaB2, CrB2, MoB2, and WB2 using first-principles calculations. Selected phases are also analyzed with respect to electronic and bonding properties. We identify trends showing that MB 2 with M from group V and IV are stabilized when introducing B-vacancies, consistent with a decrease in the number of states at the Fermi level and by strengthening of the B-M interaction. The stabilization upon vacancy formation also increases when going from M in period 4 to period 6. For TiB2, ZrB2, and HfB2, introduction of B-vacancies have a destabilizing effect due to occupation of B-B antibonding orbitals close to the Fermi level and an increase in states at the Fermi level.

  4. Influence of boron vacancies on phase stability, bonding and structure of MB₂ (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) with AlB₂ type structure.

    PubMed

    Dahlqvist, Martin; Jansson, Ulf; Rosen, Johanna

    2015-11-01

    Transition metal diborides in hexagonal AlB2 type structure typically form stable MB2 phases for group IV elements (M  =  Ti, Zr, Hf). For group V (M  =  V, Nb, Ta) and group VI (M  =  Cr, Mo, W) the stability is reduced and an alternative hexagonal rhombohedral MB2 structure becomes more stable. In this work we investigate the effect of vacancies on the B-site in hexagonal MB2 and its influence on the phase stability and the structure for TiB2, ZrB2, HfB2, VB2, NbB2, TaB2, CrB2, MoB2, and WB2 using first-principles calculations. Selected phases are also analyzed with respect to electronic and bonding properties. We identify trends showing that MB2 with M from group V and IV are stabilized when introducing B-vacancies, consistent with a decrease in the number of states at the Fermi level and by strengthening of the B-M interaction. The stabilization upon vacancy formation also increases when going from M in period 4 to period 6. For TiB2, ZrB2, and HfB2, introduction of B-vacancies have a destabilizing effect due to occupation of B-B antibonding orbitals close to the Fermi level and an increase in states at the Fermi level. PMID:26445165

  5. Screening on binary Zr-1X (X = Ti, Nb, Mo, Cu, Au, Pd, Ag, Ru, Hf and Bi) alloys with good in vitro cytocompatibility and magnetic resonance imaging compatibility.

    PubMed

    Zhou, F Y; Qiu, K J; Li, H F; Huang, T; Wang, B L; Li, L; Zheng, Y F

    2013-12-01

    In this study, the microstructures, mechanical properties, corrosion behaviors, in vitro cytocompatibility and magnetic susceptibility of Zr-1X alloys with various alloying elements, including Ti, Nb, Mo, Cu, Au, Pd, Ag, Ru, Hf and Bi, were systematically investigated to explore their potential use in biomedical applications. The experimental results indicated that annealed Zr-1X alloys consisted entirely or primarily of α phase. The alloying elements significantly increased the strength and hardness of pure Zr and had a relatively slight influence on elastic modulus. Ru was the most effective enhancing element and Zr-1Ru alloy had the largest elongation. The results of electrochemical corrosion indicated that adding various elements to Zr improved its corrosion resistance, as indicated by the reduced corrosion current density. The extracts of the studied Zr-1X alloys produced no significant deleterious effects on osteoblast-like cells (MG 63), indicating good in vitro cytocompatibility. All except for Zr-1Ag alloy showed decreased magnetic susceptibility compared to pure Zr, and Zr-1Ru alloy had the lowest magnetic susceptibility value, being comparable to that of α' phase Zr-Mo alloy and Zr-Nb alloy and far lower than that of Co-Cr alloy and Ti-6Al-4V alloy. Among the experimental Zr-1X alloys, Zr-1Ru alloy possessing high strength coupled with good ductility, good in vitro cytocompatibility and low magnetic susceptibility may be a good candidate alloy for medical devices within a magnetic resonance imaging environment. PMID:23928334

  6. Stiffness and toughness prediction of Co-Fe-Ta-B metallic glasses, alloyed with Y, Zr, Nb, Mo, Hf, W, C, N and O by ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Schnabel, Volker; Evertz, Simon; Rueß, Holger; Music, Denis; Schneider, Jochen M.

    2015-03-01

    Ab initio molecular dynamics simulations are used to systematically explore the influence of alloying on the stiffness and plasticity of Co-Fe-Ta-B metallic glasses. The Co43.5Ta6.1B50.4 metallic glass studied in this work, with a Young's modulus of 295 GPa, is the stiffest metallic glass known in literature. From the analysis of the density of the states it is suggested that the very large stiffness is due to strong covalent metal to boron bonding. Furthermore it has been observed that by alloying with Y, Zr, Nb, Mo, Hf, W, C, N and O the bulk to shear modulus ratio can be varied from 2.08 to 2.82. As noted by Lewandowski et al (2005 Phil. Mag. Lett. 85 77) a brittle to plastic transition for metallic glasses can be identified in the range of 2.33 to 2.44. Hence, it is evident that the whole range from brittle to plastic behaviour can be covered, with the systems studied in this work. This evolution from brittle to plastic behaviour can be attributed to a change from predominately covalent to predominately metallic bond character.

  7. Stiffness and toughness prediction of Co–Fe–Ta–B metallic glasses, alloyed with Y, Zr, Nb, Mo, Hf, W, C, N and O by ab initio molecular dynamics.

    PubMed

    Schnabel, Volker; Evertz, Simon; Rueß, Holger; Music, Denis; Schneider, Jochen M

    2015-03-18

    Ab initio molecular dynamics simulations are used to systematically explore the influence of alloying on the stiffness and plasticity of Co–Fe–Ta–B metallic glasses. The Co(43.5)Ta(6.1)B(50.4) metallic glass studied in this work, with a Young’s modulus of 295 GPa, is the stiffest metallic glass known in literature. From the analysis of the density of the states it is suggested that the very large stiffness is due to strong covalent metal to boron bonding. Furthermore it has been observed that by alloying with Y, Zr, Nb, Mo, Hf, W, C, N and O the bulk to shear modulus ratio can be varied from 2.08 to 2.82. As noted by Lewandowski et al (2005 Phil. Mag. Lett.85 77) a brittle to plastic transition for metallic glasses can be identified in the range of 2.33 to 2.44. Hence, it is evident that the whole range from brittle to plastic behaviour can be covered,with the systems studied in this work. This evolution from brittle to plastic behaviour can be attributed to a change from predominately covalent to predominately metallic bond character. PMID:25710383

  8. Crystal structure refinements of the κ phases in the Hf-Mo-Se and Hf-Mo-Ge systems

    NASA Astrophysics Data System (ADS)

    Ha˚rsta, Anders

    1985-05-01

    The crystal structures of κ-(Hf-Mo-Se) and κ-(Hf-Mo-Ge) were determined using X-ray single-crystal diffractometry. Both structures crystallize in the space group P6 3/mmc (No. 194) with the unit-cell dimensions a = 8.6995(4)A˚, c = 8.6234(7)A˚ for κ-(Hf-Mo-Se) and a = 8.6394(4)A˚, c = 8.6827(5)A˚ for κ-(Hf-Mo-Ge). The structures have been refined on F 2 to R(F 2) values of 0.0784 and 0.0661, respectively. κ-(Hf-Mo-Se) and κ-(Hf-Mo-Ge) are isostructural with κ-(Hf-Mo-P) with a variable degree of hafnium substitution on the molybdenum sites of the structure. In κ-(Hf-Mo-Ge) germanium vacancies were found to occur on the trigonal prismatic 2 c site and the phase was also found to contain oxygen on the octahedral 6g site. According to the final refinements the compositions are Hf 9+xMo 4-xSe with x = 0.40(2) and Hf 9+xMo 4- xGe yO 2 with x = 0.25(2), y = 0.88(1), and z = 1.47(12).

  9. 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

  10. Trends in electronic structures and structural properties of MAX phases: a first-principles study on M(2)AlC (M = Sc, Ti, Cr, Zr, Nb, Mo, Hf, or Ta), M(2)AlN, and hypothetical M(2)AlB phases.

    PubMed

    Khazaei, Mohammad; Arai, Masao; Sasaki, Taizo; Estili, Mehdi; Sakka, Yoshio

    2014-12-17

    MAX phases are a large family of layered ceramics with many potential structural applications. A set of first-principles calculations was performed for M(2)AlC and M(2)AlN (M = Sc, Ti, Cr, Zr, Nb, Mo, Hf, or Ta) MAX phases as well as for hypothetical M(2)AlB to investigate trends in their electronic structures, formation energies, and various mechanical properties. Analysis of the calculated data is used to extend the idea that the elastic properties of MAX phases can be controlled according to the valence electron concentration. The valence electron concentrationcan be tuned through the various combinations of transition metal and nonmetal elements. PMID:25419878

  11. Development of Mo(Si,Al)2-base oxidation-resistant coating on Nb-base structural materials

    NASA Astrophysics Data System (ADS)

    Tabaru, Tatsuo; Kim, Jin-Hak; Shobu, Kazuhisa; Sakamoto, Michiru; Hirai, Hisatoshi; Hanada, Shuji

    2005-03-01

    Mo(Si,Al)2-base oxidation-resistant coatings for Nb-base structural materials have been studied. The coating is composed of a Mo(Si,Al)2-base Al reservoir and Al2O3 interlayer to suppress interface reactions between the Al reservoir and the substrate. To develop a suitable Al-reservoir material, some Mo(Si0.6,Al0.4)2-HfB2 composites were prepared. Their oxidation resistance and coefficients of thermal expansion were investigated, in addition to their chemical reactivity with the Nb substrate at high temperatures. As a result, Mo(Si0.6,Al0.4)2-20 vol pct HfB2 was selected as one of the satisfactory Al reservoirs. The introduction of a stable Al2O3 interlayer was attempted using a novel powder metallurgical process to overlay the Nb substrates with the Al reservoir, where the Nb substrates were subjected to a slight surface oxidation prior to the coating process. The Nb specimens, which are thoroughly coated with the Al reservoir and Al2O3 interlayer, can be successfully fabricated by this method. The coated Nb specimens are not damaged at all after prolonged exposure in flowing Ar-20 pct O2 at 1673 K for 120 hours. Furthermore, the Al2O3 interlayer is very effective and no reactions occur at the interface. Thus, this Mo(Si,Al)2-base oxidation-resistant coating is applicable to Nb. The utility of the coating system is also confirmed for a NbSS/Nb5Si3 composite.

  12. Fractionation of Nb/Ta and Zr/Hf in the Mantle-Crust Sytem

    NASA Astrophysics Data System (ADS)

    Mezger, K.; Weyer, S.; Muenker, C.

    2001-12-01

    The isovalent element pairs Zr/Hf and Nb/Ta have generally been regarded as behaving identical during most geologic processes. As a consequence, it was expected that the ratios of these elements pairs are more of less constant and chondritic in all reservoirs of the silicate Earth. However, recent measurements of Zr/Hf and Nb/Ta of higher precision have indicated that mantle-derived magmas in certain geochemical environments and tectonic settings are characterized by distinct variations in Zr/Hf and Nb/Ta ratios that deviate significantly from the chondritic values. In comparison to known analytical methods, the resolution of Nb/Ta and Zr/Hf measurements can be improved by nearly a factor of 10 by isotope dilution measurements using a mixed 180Ta-94Zr-180Hf-176Lu tracer. In order to establish the solar system ratios for Nb/Ta and Zr/Hf, chondrites and eucrites were analyzed. The mean Zr/Hf of all chondrites and eucrites investigated in this study is 34.2+/-0.3 (2 RSE) and is indistinguishable from the chondrite-only mean value, which is 34.1+/-0.6. This new mean Zr/Hf value is lower than the previous estimate for the Zr/Hf of 36.3, which was inferred from analyses of OIBs and the chondrite Orgueil (Jochum et al., 1986). The chondritic Nb/Ta of 17.6+/-1.0 determined in this study agrees with previously estimated values (Jochum et al. 2000). A comparison of basalts and peridotites reveals subchondritic Zr/Hf for depleted peridotites and basalts derived from the depleted mantle. Peridotites from the Balmuccia peridotite (Italy) have Zr/Hf as low as 10 and they show an excellent correlation with Zr-contents. Therefore it can be assumed that the lower Zr/Hf in the mantle relative to the chondritic value is a feature caused by melt extraction. Nb/Ta in the Balmuccia peridotites show a similar variation, but no correlation with Ta-contents and Zr/Hf can be observed. This decoupling is caused by the extremely incompatible behavior of Nb and Ta during mantle melting. Small

  13. 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.

  14. MoS2 on an amorphous HfO2 surface: An ab initio investigation

    NASA Astrophysics Data System (ADS)

    Scopel, W. L.; Miwa, R. H.; Schmidt, T. M.; Venezuela, P.

    2015-05-01

    The energetic stability, electronic and structural properties of MoS2 adsorbed on an amorphous a-HfO2 surface (MoS2/HfO2) are examined through ab initio theoretical investigations. Our total energy results indicate that the formation of MoS2/HfO2 is an exothermic process with an adsorption energy of 34 meV/Å2, which means that it is more stable than similar systems like graphene/HfO2 and MoS2/SiO2. There are no chemical bonds at the MoS2-HfO2 interface. Upon formation of MoS2/HfO2, the electronic charge distribution is mostly localized at the interface region with no net charge transfer between the adsorbed MoS2 sheet and -HfO2 surface. However, the MoS2 sheet becomes n-type doped when there are oxygen vacancies in the HfO2 surface. Further investigation of the electronic distribution reveals that there are no electron- and hole-rich regions (electron-hole puddles) on the MoS2 sheet, which makes this system promising for use in high-speed nanoelectronic devices.

  15. 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.

  16. 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. PMID:22520431

  17. 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

  18. Internally nitrided refractory alloy (INRA) development. FY 1986 report. [Nitridation of Mo-1. 86 Hf alloy

    SciTech Connect

    Mitchell, J.B.; Walter, C.E.

    1986-10-06

    Internal structure studies show that by controlling grain size and amount of cold work, the results of the nitriding process can be modified. A uniform hardness can be obtained by properly controlling the nitriding parameters. The ability to control nitrogen pressure during the process over a broad range, including above one atmosphere is expected to provide greater uniformity of hardness. Limited welding efforts have produced sound welds using TIG and E-beam techniques in Mo-1.86 Hf alloy sheet. Fabrication of space power components thus appears to be achievable. Alloy compositions Mo-1.86 Hf and Mo-15 Re-1.86 Hf have been successfully produced in sheet form. Additional effort is required to reduce carbon, oxygen and nitrogen impurities. Creep resistance of Mo-HfN alloy is 100 to 1000 times greater than that observed for other molybdenum based alloys. Greater design flexibility yielding lighter and more reliable components would be available with this material.

  19. Entropy and Diffuse Scattering: Comparison of NbTiVZr and CrMoNbV

    NASA Astrophysics Data System (ADS)

    Widom, Michael

    2016-07-01

    The chemical disorder intrinsic to high-entropy alloys inevitably creates diffuse scattering in their X-ray or neutron diffraction patterns. Through first principles hybrid Monte Carlo/molecular dynamics simulations of two BCC high-entropy alloy forming compounds, CrMoNbV and NbTiVZr, we identify the contributions of chemical disorder, atomic size, and thermal fluctuations to the diffuse scattering. As a side benefit, we evaluate the reduction in entropy due to pair correlations within the framework of the cluster variation method. Finally, we note that the preference of Ti and Zr for hexagonal structures at low temperature leads to a mechanical instability reducing the local BCC character of NbTiVZr, while preserving global BCC symmetry.

  20. Comparison of NbCr{sub 2} and HfV{sub 2} C15 Laves phases

    SciTech Connect

    Thoma, D.J.; Chu, F.; Wills, J.M.; Mitchell, T.E.

    1997-12-31

    The elastic properties, phase stability, and alloying behavior of NbCr{sub 2} and HfV{sub 2} C15 Laves phases have been investigated with a combined experimental and theoretical approach. Experimental results indicate that HfV{sub 2} has anomalous elastic properties as well as a structural instability, but NbCr{sub 2} does not. In addition, ternary phase fields of NbCr{sub 2} with V and HfV{sub 2} with Nb were examined experimentally, and they have substantially different alloying behavior. In order to understand these experimental phenomena, the total energy and electronic structure of C15 NbCr{sub 2} and HfV{sub 2} were calculated using the linear muffin-tin orbital method with the atomic sphere approximation. Calculation results suggest that the phase instability of HfV{sub 2} is induced by phonon softening, and the anomalous elastic properties of HfV{sub 2} appear to be attributed to a doubly degenerate electronic energy level with a linear dispersion relation very close to the Fermi level. Finally, density of states plots indicate that for HfV{sub 2}, some bonding d-states are unoccupied while for NbCr{sub 2}, all bonding and some anti-bonding d-states are occupied. The bonding difference may be responsible for the alloying behavior in the two Laves phase alloys. As a result, alloy design schemes are suggested for enhanced deformability in Laves phases.

  1. 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.

  2. Senary Refractory High-Entropy Alloy HfNbTaTiVZr

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    Discovery of new single-phase high-entropy alloys (HEAs) is important to understand HEA formation mechanisms. The present study reports computational design and experimental validation of a senary HEA, HfNbTaTiVZr, in a body-centered cubic structure. The phase diagrams and thermodynamic properties of this senary system were modeled using the CALPHAD method. Its atomic structure and diffusion constants were studied using ab initio molecular dynamics simulations. The microstructure of the as-cast HfNbTaTiVZr alloy was studied using X-ray diffraction and scanning electron microscopy, and the microsegregation in the as-cast state was found to qualitatively agree with the solidification predictions from CALPHAD. Supported by both simulation and experimental results, the HEA formation rules are discussed.

  3. Chlorination treatment to improve the oxidation resistance of Nb-Mo-Si-B alloys

    NASA Astrophysics Data System (ADS)

    Behrani, Vikas; Thom, Andrew J.; Kramer, Matthew J.; Akinc, Mufit

    2005-03-01

    Recent studies have shown that the quaternary Nb-Mo-Si-B system is not oxidation resistant. The difference in oxidation resistance between Mo-Si-B and Nb-Mo-Si-B may be interpreted in terms of the volatility of the metal oxide that forms. MoO3 evaporates from the surface scale at about 650 °C, leaving a porous borosilicate glassy scale. Nb2O5 persists as a rapidly growing condensed phase that overwhelms the ability of the borosilicate glass to form a protective layer. In the present work, a novel chlorination process was employed to selectively remove Nb2O5 from the scale of the quaternary alloy as volatile NbCl5. A Nb-Mo-Si-B alloy was studied with a nominal composition of 63(Nb,Mo)-30Si-7B (at. pct) with Nb/Mo = 1:1. The alloy consisted of a three-phase microstructure of (Nb,Mo)5Si3B x (T1)-(Nb,Mo)5(Si,B)3 (T2)-(Nb,Mo)5Si3B x (D88). The oxidation behavior of these alloys in air was studied both before and after chlorination. Results showed that Nb2O5 can be selectively removed from the scale to leave a borosilicate-rich scale, which then forms a dense scale after heat treatment at 1100 °C in argon. The oxidation rate of the chlorinated alloy was about one-third that of the unchlorinated alloy under identical conditions. Alloy oxidation during heating to the test temperature was studied, and a plausible mechanism for the formation of porosity in the oxide scale has been offered.

  4. Internal friction peaks observed in explosively deformed polycrystalline Mo, Nb, and Cu

    NASA Technical Reports Server (NTRS)

    Rieu, G. E.; Grimes, H. H.; Romain, J. P.; Defouquet, J.

    1974-01-01

    Explosive deformation (50 kbar range) induced, in Cu, Mo and Nb, internal friction peaks identical to those observed after large normal deformation. The variation of the peaks with pressure for Mo and Nb lead to an explanation of these processes in terms of double kink generation in screw and edge dislocations.

  5. Fractionation of the geochemical twins Zr-Hf and Nb-Ta during scavenging from seawater by hydrogenetic ferromanganese crusts

    NASA Astrophysics Data System (ADS)

    Schmidt, Katja; Bau, Michael; Hein, James R.; Koschinsky, Andrea

    2014-09-01

    In contrast to igneous systems, the geochemical twins Zr and Hf are decoupled from each other in seawater, and specific Zr/Hf ratios appear to be characteristic of individual marine water masses. Hydrogenetic marine ferromanganese (Fe-Mn) crusts which accumulate trace metals from seawater may be an archive of Zr/Hf ratios that reveal changes in oceanic paleocirculation over millions of years. To verify whether Fe-Mn crusts truly reflect the Zr-Hf distribution in seawater, we studied these particle-reactive elements together with Nb and Ta (another geochemical twin pair) in bulk Fe-Mn crusts and their surface layers from different locations in the Atlantic and Pacific oceans. Zirconium (400-1000 mg kg-1), Hf (5-18 mg kg-1), Nb (42-83 mg kg-1) and Ta (0.5-1.5 mg kg-1) are significantly enriched in Fe-Mn crusts relative to the average continental crust, and their Zr/Hf and Nb/Ta ratios are super-chondritic (57-87 and 35-96, respectively), whereas the continental crust shows ratios close to those of chondrites. We emphasize that neither bulk Fe-Mn crusts nor their surface layers match the Zr/Hf or Nb/Ta ratios of modern deep seawater, but are lower and higher, respectively. The presence of aluminosilicate detritus cannot explain the different Zr/Hf ratios of crusts and ambient seawater, as potential detritus has much lower Zr and Hf concentrations. Consequently, these geochemical twins must be fractionated during their removal from seawater and their incorporation into Fe-Mn (oxyhydr)oxides. Hafnium is preferentially scavenged as shown by Zr/Hf ratios of crust surface layers (75-100) that are always below those of modern deep seawater (150-300). The decoupled behavior of geochemical twins during sorption, which is also observed for Nb-Ta, can be related to differences in the electron structures of these elements. Iron-normalized concentrations of Zr, Hf, Nb, and Ta increase with increasing size of the positive Ce anomaly (known to increase with decreasing growth rate

  6. Two-dimensional semiconductor HfSe{sub 2} and MoSe{sub 2}/HfSe{sub 2} van der Waals heterostructures by molecular beam epitaxy

    SciTech Connect

    Aretouli, K. E.; Tsipas, P.; Tsoutsou, D.; Marquez-Velasco, J.; Xenogiannopoulou, E.; Giamini, S. A.; Vassalou, E.; Kelaidis, N.; Dimoulas, A.

    2015-04-06

    Using molecular beam epitaxy, atomically thin 2D semiconductor HfSe{sub 2} and MoSe{sub 2}/HfSe{sub 2} van der Waals heterostructures are grown on AlN(0001)/Si(111) substrates. Details of the electronic band structure of HfSe{sub 2} are imaged by in-situ angle resolved photoelectron spectroscopy indicating a high quality epitaxial layer. High-resolution surface tunneling microscopy supported by first principles calculations provides evidence of an ordered Se adlayer, which may be responsible for a reduction of the measured workfunction of HfSe{sub 2} compared to theoretical predictions. The latter reduction minimizes the workfunction difference between the HfSe{sub 2} and MoSe{sub 2} layers resulting in a small valence band offset of only 0.13 eV at the MoSe{sub 2}/HfSe{sub 2} heterointerface and a weak type II band alignment.

  7. High temperature corrosion of MoSi2 HfO2 composites in coal slag

    NASA Astrophysics Data System (ADS)

    Mueller, Michael; Hilpert, Klaus; Singheiser, Lorenz

    2005-02-01

    The corrosion behaviour of MoSi2 15%HfO2 composites was investigated under simulated Pressurized Pulverized Coal Combustion (PPCC) conditions at 1450 °C in the presence of liquid slag. The composites form a dense glassy corrosion product layer which consists mainly of SiO2 and HfSiO4. The specimens show relative good corrosion resistance against coal slag in comparison to most commercial available ceramic materials.

  8. MoS{sub 2} on an amorphous HfO{sub 2} surface: An ab initio investigation

    SciTech Connect

    Scopel, W. L.; Miwa, R. H. Schmidt, T. M.; Venezuela, P.

    2015-05-21

    The energetic stability, electronic and structural properties of MoS{sub 2} adsorbed on an amorphous a-HfO{sub 2} surface (MoS{sub 2}/HfO{sub 2}) are examined through ab initio theoretical investigations. Our total energy results indicate that the formation of MoS{sub 2}/HfO{sub 2} is an exothermic process with an adsorption energy of 34 meV/Å{sup 2}, which means that it is more stable than similar systems like graphene/HfO{sub 2} and MoS{sub 2}/SiO{sub 2}. There are no chemical bonds at the MoS{sub 2}-HfO{sub 2} interface. Upon formation of MoS{sub 2}/HfO{sub 2}, the electronic charge distribution is mostly localized at the interface region with no net charge transfer between the adsorbed MoS{sub 2} sheet and –HfO{sub 2} surface. However, the MoS{sub 2} sheet becomes n-type doped when there are oxygen vacancies in the HfO{sub 2} surface. Further investigation of the electronic distribution reveals that there are no electron- and hole-rich regions (electron-hole puddles) on the MoS{sub 2} sheet, which makes this system promising for use in high-speed nanoelectronic devices.

  9. 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 (0.1Hf{sub 1.5+{delta}}Nb{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.

  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. Ultrasonic investigation of the superconducting properties of the Nb-Mo system

    NASA Technical Reports Server (NTRS)

    Lacy, L. L.

    1972-01-01

    The superconducting properties of single crystals of Nb and two alloys of Nb with Mo were investigated by ultrasonic techniques. The results of measurements of the ultrasonic attenuation and velocities as a function of temperature, Mo composition, crystallographic direction, and ultrasonic frequency are reported. The attenuation and small velocity changes associated with the superconductivity of the samples are shown to be dependent on the sample resistivity ratio which varied from 4.3 for Nb-9% Mo to 6500 for pure Nb. The ultrasonic attenuation data are analyzed in terms of the superconducting energy gap term of the BCS theory. A new model is proposed for the analysis of ultrasonic attenuation in pure superconductors with two partially decoupled energy bands. To analyze the attenuation in pure superconducting Nb, the existence of two energy gaps was assumed to be associated with the two partially decoupled energy bands. One of the gaps was found to have the normal BCS value of 3.4 and the other gap was found to have the anomalously large value of 10. No experimental evidence was found to suggest that the second energy gap had a different transition temperature. The interpretation of the results for the Nb-Mo alloys is shown to be complicated by the possible existence of a second superconducting phase in Nb-Mo alloys with a transition temperature of 0.35 of the transition temperature of the first phase. The elastic constants of Nb and Nb-Mo alloys are shown to be approximately independent of Mo composition to nine atomic percent Mo. These results do not agree with the current microscopic theory of transition temperature for the transition elements.

  12. Electronic band structures of AV(2) (A = Ta, Ti, Hf and Nb) Laves phase compounds.

    PubMed

    Charifi, Z; Reshak, Ali Hussain; Baaziz, H

    2009-01-14

    First-principles density functional calculations, using the all-electron full potential linearized augmented plane wave method, have been performed in order to investigate the structural and electronic properties for Laves phase AV(2) (A = Ta, Ti, Hf and Nb) compounds. The generalized gradient approximation and the Engel-Vosko-generalized gradient approximation were used. Our calculations show that these compounds are metallic with more bands cutting the Fermi energy (E(F)) as we move from Nb to Ta, Hf and Ti, consistent with the increase in the values of the density of states at the Fermi level N(E(F)). N(E(F)) is controlled by the overlapping of V-p/d, A-d and A-p states around the Fermi energy. The ground state properties of these compounds, such as equilibrium lattice constant, are calculated and compared with the available literature. There is a strong/weak hybridization between the states, V-s states are strongly hybridized with A-s states below and above E(F). Around the Fermi energy we notice that V-p shows strong hybridization with A-p states. PMID:21813979

  13. 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.

  14. Determination of Ti, Zr, Nb, V, W and Mo in seawater by a new online-preconcentration method and subsequent ICP-MS analysis

    NASA Astrophysics Data System (ADS)

    Poehle, Sandra; Schmidt, Katja; Koschinsky, Andrea

    2015-04-01

    We present a new method for the determination of Ti, Zr, Nb, V, W and Mo in seawater by adapting the online-preconcentration procedure with the system SeaFAST and subsequent analysis by ICP-MS to these metals. The trace elements Ti, Zr, Nb and W are present in seawater in ultratrace concentrations in the range of pmol kg-1, whereas Mo and V, which are biologically essential elements, are present in the concentration range of nmol kg-1. The online-preconcentration system we used consists of an autosampler, a sample loop, a preconcentration column and two valves controlling the sample loop and the preconcentration processes. The pre-packed preconcentration column contains a chelating resin with two functional groups, ethylenediamine triacetic acid (EDTriA) and iminodiacetic acid (IDA), immobilized on a polymer backbone. The preconcentration process was optimized for loading the sample and subsequent rinsing to remove residues of seawater matrix prior to elution with the optimized elution acid (0.5 M HNO3-0.002 M HF). We used acidified North Sea seawater (0.02 M HCl-0.002 M HF) for the method development. Samples and calibration standards were loaded onto the preconcentration column and after elution directly transferred to the quadrupole ICP-MS and measured immediately. Best results were achieved with matrix-matched calibration standards (0.6 M NaCl-0.02 M HCl-0.002 M HF) simulating acidified seawater samples. Titanium, Zr, Nb and W are measured simultaneously in one run, whereas V and Mo are determined simultaneously in a separate run. Low procedure blanks were calculated for Ti, Zr, Nb, W (635, 14.5, 1.35, 10.2 pmol kg-1) and for V and Mo, 9.79 and 5.61 nmol kg-1, respectively. Very good spike recoveries achieved with spiked North Sea water demonstrate the applicability for all six elements. Analysis of the seawater standard NASS-6 gave recoveries of 97-99% (0.9-2.2% standard deviation, SD) for Mo and V. We also provide Zr, Nb and W data for this reference standard

  15. Synthesis and characterisation of new MO(OH)2 (M = Zr, Hf) oxyhydroxides and related Li2MO3 salts.

    PubMed

    Baklanova, Yana V; Denisova, Tatyana A; Maksimova, Lidiya G; Tyutyunnik, Alexander P; Baklanova, Inna V; Shein, Igor R; Neder, Reinhard B; Tarakina, Nadezda V

    2014-02-21

    Two new solid MO(OH)2 (M = Zr, Hf) oxyhydroxides have been synthesised by an ion-exchange reaction from Li2MO3 (M = Zr, Hf) precursors obtained by a citrate combustion technique. The crystal structure of the oxyhydroxides has been solved by direct methods and refined using Rietveld full profile fitting based on X-ray powder diffraction data. Both oxyhydroxides crystallize in a P2(1)/c monoclinic unit cell and have a structure resembling that of the related salts. Detailed characterisation of the fine-structure features and chemical bonding in precursors and oxyhydroxide powders has been performed using vibrational spectroscopy, nuclear magnetic resonance spectroscopy, scanning electron microscopy, pair distribution function analysis and quantum-chemical modelling. PMID:24343584

  16. Collective electronic behaviors of laterally heterostructured armchair MoS{sub 2}-NbS{sub 2} nanoribbons

    SciTech Connect

    Wu, Nannan; Zhou, Wenzhe; Zou, Hui; Chen, Yu; Yang, Zhixiong; Xiong, Xiang; Ouyang, Fangping

    2015-08-28

    Based on density functional theory, we have investigated the electronic properties of molybdenum disulfide-niobium disulfide hybrid nanoribbons (MoS{sub 2}-NbS{sub 2} NRs). It is found that the MoS{sub 2} edge, MoS{sub 2} center, NbS{sub 2} edge, and NbS{sub 2} center have distinct contributions to the collective electronic behaviors of MoS{sub 2}-NbS{sub 2} NRs. Its behavior, metallic or semiconductor, depends on whether the central area of NR contains NbS{sub 2} chain or not. This dependence has been also revealed in the electronic structures of NbS{sub 2}-MoS{sub 2}-NbS{sub 2} NR and MoS{sub 2}-NbS{sub 2}-MoS{sub 2} NR, of which the former is semiconductor and the latter is metal. In comparison with MoS{sub 2} NR of the same width, the hybrid has a different bandgap that was caused by the coupled effects between NbS{sub 2} edge and MoS{sub 2} edge. This fact makes MoS{sub 2}-NbS{sub 2} NRs a possible candidate for nanoelectronic devices based on heterostructured transition-metal dichalcogenide.

  17. Diffusion Barrier Selection from Refractory Metals (Zr, Mo and Nb) via Interdiffusion Investigation for U-Mo RERTR Fuel Alloy

    SciTech Connect

    K. Huang; C. Kammerer; D. D. Keiser, Jr.; Y. H. Sohn

    2014-04-01

    U-Mo alloys are being developed as low enrichment monolithic fuel under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. Diffusional interactions between the U-Mo fuel alloy and Al-alloy cladding within the monolithic fuel plate construct necessitate incorporation of a barrier layer. Fundamentally, a diffusion barrier candidate must have good thermal conductivity, high melting point, minimal metallurgical interaction, and good irradiation performance. Refractory metals, Zr, Mo, and Nb are considered based on their physical properties, and the diffusion behavior must be carefully examined first with U-Mo fuel alloy. Solid-to-solid U-10wt.%Mo vs. Mo, Zr, or Nb diffusion couples were assembled and annealed at 600, 700, 800, 900 and 1000 degrees C for various times. The interdiffusion microstructures and chemical composition were examined via scanning electron microscopy and electron probe microanalysis, respectively. For all three systems, the growth rate of interdiffusion zone were calculated at 1000, 900 and 800 degrees C under the assumption of parabolic growth, and calculated for lower temperature of 700, 600 and 500 degrees C according to Arrhenius relationship. The growth rate was determined to be about 10 3 times slower for Zr, 10 5 times slower for Mo and 10 6 times slower for Nb, than the growth rates reported for the interaction between the U-Mo fuel alloy and pure Al or Al-Si cladding alloys. Zr, however was selected as the barrier metal due to a concern for thermo- mechanical behavior of UMo/Nb interface observed from diffusion couples, and for ductile-to-brittle transition of Mo near room temperature.

  18. Crystal structure and ion conducting properties of La5NbMo2O16

    NASA Astrophysics Data System (ADS)

    Vu, T. D.; Krichen, F.; Barre, M.; Busselez, R.; Adil, K.; Jouanneaux, A.; Suard, E.; Goutenoire, F.

    2016-05-01

    The new compound La5NbMo2O16 with high ionic conduction has been discovered during the study of the ternary phase diagram of La2O3-MoO3-Nb2O5. The material crystallizes in the cubic space group Pn 3 bar n (no 222) with the unit cell parameter a=11.2250(1) Å. La5NbMo2O16 is a new analogue of the R5Mo3O16 series (R=Pr, Nd). The structure was refined from a combined data X-ray and neutron powder diffraction. The ionic conductivity of the compound is then measured on sintered pellets, by means of complex impedance spectroscopy.

  19. Thermal Behavior Study of the MoVTeNb Oxide Catalyst for Selective Oxidation Process

    NASA Astrophysics Data System (ADS)

    Idris, R.; Hamid, S. B. Abd.

    2009-06-01

    Several parameters involved in preparing the multi metal oxide (MMO) catalysts (Mo1V0.3Te0.23Nb0.12Ox) for selective oxidation of propane to acrylic acid (AA) were investigated. These included the proper pre-calcined and calcinations atmosphere effect on the performance of the catalysts. It was found that each metal element plays a critical role to the performance of an effective catalyst and also the calcinations under a non-flow inert atmosphere. The characterization results from XRD, SEM, TG and DSC show the important differences depending on the activation procedures of the MoVTeNb oxide catalyst. The XRD analysis is used to identify the phase inventory of the MoVTeNb oxide catalysts. The structure of orthorhombic M1, M2, TeMo5O16, V0.95Mo0.97O5 and Mo5O14 phase was investigated. The orthorhombic M1 phase is the most active and selective phase and is responsible for the major of the efficiently of the best catalyst for selective oxidation process. TGA and DTG allow the identification of the number and types, of reactions involving evaporation of small molecules from removal of ligands and water to condensation or drying processes. From all these analyses it was proven that the activation procedures would affect the performance of the MoVTeNb oxide catalyst.

  20. Oxidation Behavior and Chlorination Treatment to Improve Oxidation Resistance of Nb-Mo-Si-B Alloys

    SciTech Connect

    Vikas Behrani

    2004-12-19

    This thesis is written in an alternate format. The thesis is composed of a general introduction, two original manuscripts, and a general conclusion. References cited within each chapter are given at the end of each chapter. The general introduction starts with the driving force behind this research, and gives an overview of previous work on boron doped molybdenum silicides, Nb/Nb{sub 5}Si{sub 3} composites, boron modified niobium silicides and molybdenum niobium silicides. Chapter 2 focuses on the oxidation behavior of Nb-Mo-Si-B alloys. Chapter 3 contains studies on a novel chlorination technique to improve the oxidation resistance of Nb-Mo-Si-B alloys. Chapter 4 summarizes the important results in this study.

  1. Effect of increasing disorder on superconductivity of Mo/Nb superlattices

    NASA Astrophysics Data System (ADS)

    Pereiro, Juan; Saerbeck, Thomas; Schuller, Ivan K.

    2015-08-01

    We investigated the superconducting properties of Nb/Mo superlattices (SLs). The structural changes as a function of Nb and Mo layer thickness allow us to investigate the effect of disorder on the superconducting properties in a controlled fashion. Systematic structural studies provide quantitative measures of disorder parameters, such as roughness, interdiffusion, and strain, which allow separating their effect on the individual superconducting layers. The Mo critical temperature does not change as the layer thickness decreases below its coherence length. Thus, the SL critical temperatures in the presence of disorder and proximity effects can be modeled by considering only the effects of the Nb mean free path and coherence length. With increasing layer thickness, the SL critical temperatures approach Nb bulk values. Contrary to expectations the Tc of Mo remains below the Nb Tc. We discuss the results using existing theories based on Coulomb repulsion or changes in the density of states at the Fermi surface as a function of disorder. Questions about current understanding of the effect of disorder on superconductivity arise from the results.

  2. Effects of Ti, Zr, and Hf on the Phase Stability of Mo-Mo3Si+Mo5SiB2 Alloys at 1600 C

    SciTech Connect

    Yang, Ying; Bei, Hongbin; Chen, Shuanglin; George, Easo P; Tiley, Jaimie; Chang, Y. Austin

    2010-01-01

    Understanding the stability of the three-phase Mo{_}+Mo{sub 3}Si+Mo{sub 5}SiB{sub 2} region is important for alloy design of Mo-Si-B-based refractory metal intermetallic composites. In this work, thermodynamic modeling is coupled with guided experiments to study phase stability in this three-phase region of the Mo-Si-B-X (X = Ti, Zr, Hf) system. Both the calculated and experimental results show that additions of Zr and Hf limit significantly the stability of the three-phase region because of the formation of the ternary phases MoSiZr and MoSiHf, while Ti addition leads to a much larger region of stability for the three-phase equilibrium.

  3. Oxidation Behavior of Nb-20Mo-15Si-25Cr and Nb-20Mo-15Si-25Cr-5B Alloys

    NASA Astrophysics Data System (ADS)

    Portillio, Benedict I.; Varma, Shailendra K.

    2012-01-01

    Nb-20Mo-15Si-25Cr (25Cr alloy) and Nb-20Mo-15Si-25Cr-5B (25Cr/5B alloy) alloys have been subjected to oxidation in air for 24 hours from 973 K to 1673 K (700 °C to 1400 °C). Even though B additions do not improve oxidation resistance at temperatures higher than 1473 K (1200 °C), the lower temperature oxidation resistance is superior with B by influencing the microstructure. Porous oxide scale development at lower temperatures has been attributed to the dominant growth of Nb2O5 and the vaporization of MoO3. An intermediate oxidation layer is developed between the scale and the metal for the 25Cr/5B alloy at temperatures above 1173 K (900 °C). Scale densification at elevated temperatures results in higher stress development as a result of the mismatch of coefficients of thermal expansion, ultimately resulting in oxide spallation.

  4. Physics of nanostructures at]radiation resistance of high-entropy nanostructured (Ti, Hf, Zr, V, Nb)N coatings

    NASA Astrophysics Data System (ADS)

    Komarov, F. F.; Pogrebnyak, A. D.; Konstantinov, S. V.

    2015-10-01

    The influence of high-fluence ion irradiation of nanostructured (Ti, Hf, Zr, V, Nb)N coatings is revealed for the first time. The energy of irradiating helium ions is equal to 500 keV, and their fluence falls into the interval 5 × 1016-3 × 1017 ions/cm2. The performance of the coatings in a nuclear reactor is simulated by conducting post-irradiation thermal annealing at 773 K for 15 min. The elemental composition, structure, morphology, and strength properties of the (Ti, Hf, Zr, V, Nb)N coatings are studied before and after irradiation. No considerable structural and phase modifications in the coatings are found after irradiation, except for the fact that crystallites in the coatings drastically reduce in size to less than 10 nm. Nor does the atomic composition of the coatings change. It is shown that the microhardness of the coatings depends on the fluence of irradiating ions nonlinearly. It can be argued that the (Ti, Hf, Zr, V, Nb)N coatings are radiationresistant and hence promising for claddings of fuel elements in nuclear reactors.

  5. Photoelectron imaging spectroscopy of MoC{sup −} and NbN{sup −} diatomic anions: A comparative study

    SciTech Connect

    Liu, Qing-Yu; Li, Zi-Yu; He, Sheng-Gui E-mail: chenh@iccas.ac.cn; Hu, Lianrui; Chen, Hui E-mail: chenh@iccas.ac.cn; Ning, Chuan-Gang; Ma, Jia-Bi

    2015-04-28

    The isoeletronic diatomic MoC{sup −} and NbN{sup −} anions have been prepared by laser ablation and studied by photoelectron imaging spectroscopy combined with quantum chemistry calculations. The photoelectron spectra of NbN{sup −} can be very well assigned on the basis of literature reported optical spectroscopy of NbN. In contrast, the photoelectron spectra of MoC{sup −} are rather complex and the assignments suffered from the presence of many electronically hot bands and limited information from the reported optical spectroscopy of MoC. The electron affinities of NbN and MoC have been determined to be 1.450 ± 0.003 eV and 1.360  ±  0.003 eV, respectively. The good resolution of the imaging spectroscopy provided a chance to resolve the Ω splittings of the X{sup 3}Σ{sup −} (Ω = 0 and 1) state of MoC and the X{sup 4}Σ{sup −} (Ω = 1/2 and 3/2) state of MoC{sup −} for the first time. The spin-orbit splittings of the X{sup 2}Δ state of NbN{sup −} and the a{sup 2}Δ state of MoC{sup −} were also determined. The similarities and differences between the electronic structures of the NbN and MoC systems were discussed.

  6. An ultra-high temperature Mo-Si-B based coating for oxidation protection of NbSS/Nb5Si3 composites

    NASA Astrophysics Data System (ADS)

    Su, Linfen; Lu-Steffes, Otto; Zhang, Hu; Perepezko, John H.

    2015-05-01

    A Mo-Si-B based coating was prepared on an NbSS/Nb5Si3 composite by a two-step process consisting of the initial deposition of Mo followed by pack cementation co-deposition of Si and B. After a conditioning treatment, an aluminoborosilica layer fully covered the sample. Following oxidation at 1300 °C for 24 h, the coated sample demonstrated a weight loss of about 0.55 mg/cm2 and the uncoated sample exhibited catastrophic oxidation with a weight gain of 87.6 mg/cm2. These results demonstrate that the Mo-Si-B based coating can enable the use of the NbSS/Nb5Si3 composites at temperature up to 1300 °C in an oxidizing environment.

  7. Nb-doped single crystalline MoS{sub 2} field effect transistor

    SciTech Connect

    Das, Saptarshi E-mail: das@anl.gov; Demarteau, Marcellinus; Roelofs, Andreas

    2015-04-27

    We report on the demonstration of a p-type, single crystalline, few layer MoS{sub 2} field effect transistor (FET) using Niobium (Nb) as the dopant. The doping concentration was extracted and determined to be ∼3 × 10{sup 19}/cm{sup 3}. We also report on bilayer Nb-doped MoS{sub 2} FETs with ambipolar conduction. We found that the current ON-OFF ratio of the Nb-doped MoS{sub 2} FETs changes significantly as a function of the flake thickness. We attribute this experimental observation to bulk-type electrostatic effect in ultra-thin MoS{sub 2} crystals. We provide detailed analytical modeling in support of our claims. Finally, we show that in the presence of heavy doping, even ultra-thin 2D-semiconductors cannot be fully depleted and may behave as a 3D material when used in transistor geometry. Our findings provide important insights into the doping constraints of 2D materials, in general.

  8. Transmutation of Mo, Re, W, Hf, and V in various irradiation test facilities and STARFIRE

    NASA Astrophysics Data System (ADS)

    Greenwood, L. R.; Garner, F. A.

    1994-09-01

    With the exception of V and Cu alloys, the formation of solid transmutants has not been thought to play a large role in the response of metals to irradiation. For a number of refractory elements, however, it appears that very large levels of solid transmutation can occur both in fission and fusion spectra. The phase stability and other properties of alloys can be strong functions of the changing composition. The spectral sensitivity of transmutation also poses some difficulty in correlating data from various neutron spectra. Transmutation of Mo, Re, W, Hf and V have been calculated for the Fast Flux Test Facility (FFTF), the High Flux Isotope Reactor (HFIR), and the STARFIRE fusion reactor. Results show that Re and W undergo sizeable transmutation in these spectra, and may limit the use of these elements in fusion reactor materials. Vanadium and hafnium have high transmutation rates in HFIR and may require spectral tailoring.

  9. High strength Sn-Mo-Nb-Zr alloy tubes and method of making same

    DOEpatents

    Cheadle, Brian A.

    1977-01-01

    Tubes for use in nuclear reactors fabricated from a quaternary alloy comprising 2.5-4.0 wt% Sn, 0.5-1.5 wt% Mo, 0.5-1.5 wt% Nb, balance essentially Zr. The tubes are fabricated by a process of hot extrusion, heat treatment, cold working to size and age hardening, so as to produce a microstructure comprising elongated .alpha. grains with an acicular transformed .beta. grain boundary phase.

  10. Mechanical and electrochemical characterisation of new Ti-Mo-Nb-Zr alloys for biomedical applications.

    PubMed

    Nnamchi, Paul S; Obayi, C S; Todd, Iain; Rainforth, M W

    2016-07-01

    The development and characterisation of new metallic biomaterials that contain non-toxic and non-allergic elements but possess low elastic modulus and low biodegradation rates, has become a topic of serious investigation in orthopaedic implant application. The lowering of elastic modulus and improving of corrosion resistance can be achieved by specific chemical alloying and super-elasticity effects, associated with a stress-induced phase transformation from the BCC metastable beta phase to the orthorhombic α″ martensite. Using this framework, this paper focuses on the effect of Nb and/or Zr micro-additions on the elastic modulus/yield strength balance and discusses microstructure, and the mechanical and electrochemical behaviour of four new β-Ti-8Mo-xNb-xZr (x=2-5) alloys, using tensile tests, X-ray diffraction, SEM characterisation, ultrasound technique and potentiodynamic polarisation methods. The results reveal that the alloys exhibit a pronounced microstructural sensitivity response, with alloying elements and excellent agreement between β-stability and high mechanical strength, with increasing Nb additions. Although all the alloys possess excellent corrosion resistance and low Young׳s modulus, Ti-8Mo-4Nb-2Zr alloy, which consists of β+α'' phases, exhibits a low Young modulus of 35GPa, which is lower than those of the commercial alloys already used in biomedical implantation. The significant corrosion resistance, nontoxicity and better mechanical compatibility are properties pertinent to preventing stress shielding and bone resorption in orthopaedic implant applications. PMID:26773649

  11. Precipitation hardening and microstructure evolution of the Ti-7Nb-10Mo alloy during aging.

    PubMed

    Yi, Ruowei; Liu, Huiqun; Yi, Danqing; Wan, Weifeng; Wang, Bin; Jiang, Yong; Yang, Qi; Wang, Dingchun; Gao, Qi; Xu, Yanfei; Tang, Qian

    2016-06-01

    A biomedical β titanium alloy (Ti-7Nb-10Mo) was designed and prepared by vacuum arc self-consumable melting. The ingot was forged and rolled to plates, followed by quenching and aging. Age-hardening behavior, microstructure evolution and its influence on mechanical properties of the alloy during aging were investigated, using X-ray diffraction, transmission electron microscopy, tensile and hardness measurements. The electrochemical behavior of the alloy was investigated in Ringer's solution. The microstructure of solution-treated (ST) alloy consists of the supersaturated solid solution β phase and the ωath formed during athermal process. The ST alloy exhibits Young's modulus of 80 GPa, tensile strength of 774 MPa and elongation of 20%. The precipitation sequences during isothermal aging at different temperatures were determined as β+ωath→β+ωiso (144 h) at Taging=350-400 °C, β+ωath→β+ωiso+α→β+α at Taging=500°C, and β+ωath→β+α at Taging=600-650 °C, where ωiso forms during isothermal process. The mechanical properties of the alloy can be tailored easily through controlling the phase transition during aging. Comparing with the conventional Ti-6Al-4V alloy, the Ti-7Nb-10Mo alloy is more resistant to corrosion in Ringer's solution. Results show that the Ti-7Nb-10Mo alloy is promising for biomedical applications. PMID:27040253

  12. Bioactive compounds immobilized on Ti and TiNbHf: AFM-based investigations of biofunctionalization efficiency and cell adhesion.

    PubMed

    Herranz-Diez, C; Li, Q; Lamprecht, C; Mas-Moruno, C; Neubauer, S; Kessler, H; Manero, J M; Guillem-Martí, J; Selhuber-Unkel, C

    2015-12-01

    Implant materials require optimal biointegration, including strong and stable cell-material interactions from the early stages of implantation. Ti-based alloys with low elastic modulus are attracting a lot of interest for avoiding stress shielding, but their osseointegration potential is still very low. In this study, we report on how cell adhesion is influenced by linear RGD, cyclic RGD, and recombinant fibronectin fragment III8-10 coated on titanium versus a novel low-modulus TiNbHf alloy. The bioactive molecules were either physisorbed or covalently coupled to the substrates and their conformation on the surfaces was investigated with atomic force microscopy (AFM). The influence of the different bioactive coatings on the adhesion of rat mesenchymal stem cells was evaluated using cell culture assays and quantitatively analyzed at the single cell level by AFM-based single-cell force spectroscopy. Our results show that bioactive moieties, particularly fibronectin fragment III8-10, improve cell adhesion on titanium and TiNbHf and that the covalent tethering of such molecules provides the most promising strategy to biofunctionalize these materials. Therefore, the use of recombinant protein fragments is of high importance for improving the osseointegration potential of implant materials. PMID:26513753

  13. Mechanistic Insight into the Stability of HfO2 -Coated MoS2 Nanosheet Anodes for Sodium Ion Batteries.

    PubMed

    Ahmed, Bilal; Anjum, Dalaver H; Hedhili, Mohamed N; Alshareef, Husam N

    2015-09-01

    It is demonstrated for the first time that surface passivation of 2D nanosheets of MoS2 by an ultrathin and uniform layer of HfO2 can significantly improve the cyclic performance of sodium ion batteries. After 50 charge/discharge cycles, bare MoS2 and HfO2 coated MoS2 electrodes deliver the specific capacity of 435 and 636 mAh g(-1) , respectively, at current density of 100 mA g(-1) . These results imply that batteries using HfO2 coated MoS2 anodes retain 91% of the initial capacity; in contrast, bare MoS2 anodes retain only 63%. Also, HfO2 coated MoS2 anodes show one of the highest reported capacity values for MoS2 . Cyclic voltammetry and X-ray photoelectron spectroscopy results suggest that HfO2 does not take part in electrochemical reaction. The mechanism of capacity retention with HfO2 coating is explained by ex situ transmission electron microscope imaging and electrical impedance spectroscopy. It is illustrated that HfO2 acts as a passivation layer at the anode/electrolyte interface and prevents structural degradation during charge/discharge process. Moreover, the amorphous nature of HfO2 allows facile diffusion of Na ions. These results clearly show the potential of HfO2 coated MoS2 anodes, which performance is significantly higher than previous reports where bulk MoS2 or composites of MoS2 with carbonaceous materials are used. PMID:26061915

  14. High-temperature crack-healing behaviour and strength recovery of (MoNb)Si2

    NASA Astrophysics Data System (ADS)

    Zhu, Gaoming; Wang, Xiaohong; Lu, Qiong; Wu, Guangzhi; Feng, Peizhong

    2015-07-01

    (MoNb)Si2 materials were prepared using combustion synthesis and the vacuum hot-pressing technology. Cracks were introduced on the surface of polished materials using the Vickers indentation method. The crack-healing behaviour of (MoNb)Si2 materials were investigated with high-temperature oxidation in air. The results show that after annealing at 900 °C, 1200 °C and 1500 °C for 1 h, the crack-healing behaviour was observed in each case. The bending strength obviously decreased when the cracks were introduced, and the materials significantly recovered after the heat treatment. The crack-healed samples exhibited higher bending strengths than the original level after the 1200 °C treatment, e.g. 479 MPa versus 195 MPa of pure MoSi2. MoSi2 micro alloyed with niobium shows a high bending strength at room temperature and excellent crack-healing properties at high temperatures.

  15. Nb/Ta, Zr/Hf and REE in the depleted mantle: implications for the differentiation history of the crust-mantle system

    NASA Astrophysics Data System (ADS)

    Weyer, Stefan; Münker, Carsten; Mezger, Klaus

    2003-01-01

    High-precision Nb, Ta, Zr, Hf, Sm, Nd and Lu concentration data of depleted mantle rocks from the Balmuccia peridotite complex (Ivrea Zone, Italian Alps) were determined by isotope dilution using multiple collector inductively coupled plasma mass spectrometry (MC-ICPMS) and thermal ionisation mass spectrometry (TIMS). The Zr/Hf ratios of all investigated samples from the Balmuccia peridotite complex are significantly lower than the chondritic value of 34.2, and the most depleted samples have Zr/Hf ratios as low as 10. Correlated Zr/Hf ratios and Zr abundances of the lherzolites preserve the trend of a mantle residue that has been depleted by fractional melting. This trend confirms experimental studies that predict Hf to behave more compatibly than Zr during mantle melting. Experimentally determined partition coefficients imply that the major Zr and Hf depletion most likely occurred in the spinel stability field, with ( DZr/ DHf) cpx≈0.5, and not in the garnet stability field, where ( DZr/ DHf) grt is probably close to one. However, minor amounts of melting must have also occurred in a garnet facies mantle, as indicated by low Sm/Lu ratios in the Balmuccia peridotites. The Nb/Ta ratios of most lherzolites are subchondritic and vary only from 7 to 10, with the exception of three samples that have higher Nb/Ta ratios (18-24). The overall low Nb/Ta ratios of most depleted mantle rocks confirm a higher compatibility of Ta in the mantle. The uniform Nb/Ta ratios in most samples imply that even in 'depleted' mantle domains the budget of the highly incompatible Nb and Ta is controlled by enrichment processes. Such a model is supported by the positive correlation of Zr/Nb with the Zr concentration. However, the overall enrichment was weak and did barely affect the moderately incompatible elements Zr and Hf. The new constraints from the partitioning behaviour of Zr-Hf and Nb-Ta provide important insights into processes that formed the Earth's major silicate reservoirs. The

  16. Back-gated Nb-doped MoS2 junctionless field-effect-transistors

    NASA Astrophysics Data System (ADS)

    Mirabelli, Gioele; Schmidt, Michael; Sheehan, Brendan; Cherkaoui, Karim; Monaghan, Scott; Povey, Ian; McCarthy, Melissa; Bell, Alan P.; Nagle, Roger; Crupi, Felice; Hurley, Paul K.; Duffy, Ray

    2016-02-01

    Electrical measurements were carried out to measure the performance and evaluate the characteristics of MoS2 flakes doped with Niobium (Nb). The flakes were obtained by mechanical exfoliation and transferred onto 85 nm thick SiO2 oxide and a highly doped Si handle wafer. Ti/Au (5/45 nm) deposited on top of the flake allowed the realization of a back-gate structure, which was analyzed structurally through Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). To best of our knowledge this is the first cross-sectional TEM study of exfoliated Nb-doped MoS2 flakes. In fact to date TEM of transition-metal-dichalcogenide flakes is extremely rare in the literature, considering the recent body of work. The devices were then electrically characterized by temperature dependent Ids versus Vds and Ids versus Vbg curves. The temperature dependency of the device shows a semiconductor behavior and, the doping effect by Nb atoms introduces acceptors in the structure, with a p-type concentration 4.3 × 1019 cm-3 measured by Hall effect. The p-type doping is confirmed by all the electrical measurements, making the structure a junctionless transistor. In addition, other parameters regarding the contact resistance between the top metal and MoS2 are extracted thanks to a simple Transfer Length Method (TLM) structure, showing a promising contact resistivity of 1.05 × 10-7 Ω/cm2 and a sheet resistance of 2.36 × 102 Ω/sq.

  17. Molar Volume Modeling of Ti-Al-Nb and Ti-Al-Mo Ternary Systems

    NASA Astrophysics Data System (ADS)

    Zhu, Jun; Zhang, Chuan; Cao, Weisheng; Chen, Shuanglin; Zhang, Fan; Park, Joon Sik; Yi, Seonghoon

    2015-08-01

    Molar volume modeling was performed for both Ti-Al-Nb and Ti-Al-Mo ternary systems based on the thermodynamic modeling of these two systems. Comparison between the calculated phase equilibria and the experimental data proved the accuracy of thermodynamic modeling. With the calculated density contour curves superimposed on the equilibrium phase diagram, it provides a map for alloy developers to identify the promising alloy compositions that satisfy both the phase stability and density requirements and rule out those that fail to meet the requirements.

  18. 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.

  19. p-type doping of MoS{sub 2} thin films using Nb

    SciTech Connect

    Laskar, Masihhur R.; Nath, Digbijoy N.; Lee, Edwin W.; Lee, Choong Hee; Yang, Zihao; Ma, Lu; Wu, Yiying; Kent, Thomas; Mishra, Rohan; Roldan, Manuel A.; Idrobo, Juan-Carlos; Pantelides, Sokrates T.; Pennycook, Stephen J.; Myers, Roberto C.; Rajan, Siddharth

    2014-03-03

    We report on the first demonstration of p-type doping in large area few-layer films of (0001)-oriented chemical vapor deposited MoS{sub 2}. Niobium was found to act as an efficient acceptor up to relatively high density in MoS{sub 2} films. For a hole density of 3.1 × 10{sup 20} cm{sup −3}, Hall mobility of 8.5 cm{sup 2} V{sup −1} s{sup −1} was determined, which matches well with the theoretically expected values. X-ray diffraction scans and Raman characterization indicated that the film had good out-of-plane crystalline quality. Absorption measurements showed that the doped sample had similar characteristics to high-quality undoped samples, with a clear absorption edge at 1.8 eV. Scanning transmission electron microscope imaging showed ordered crystalline nature of the Nb-doped MoS{sub 2} layers stacked in the [0001] direction. This demonstration of substitutional p-doping in large area epitaxial MoS{sub 2} could help in realizing a wide variety of electrical and opto-electronic devices based on layered metal dichalcogenides.

  20. Toward an understanding of the hydrogenation reaction of MO2 gas-phase clusters (M = Ti, Zr, and Hf).

    PubMed

    González-Navarrete, P; Calatayud, M; Andrés, J; Ruipérez, F; Roca-Sanjuán, D

    2013-06-27

    A theoretical investigation using density functional theory (DFT) has been carried out in order to understand the molecular mechanism of dihydrogen activation by means of transition metal dioxides MO2 (M = Ti, Zr, and Hf) according to the following reaction: MO2 + H2 → MO + H2O. B3LYP/6-311++G(2df,2pd)/SDD methodology was employed considering two possible reaction pathways. As the first step hydrogen activation by M═O bonds yields to metal-oxo hydride intermediates O═MH(OH). This process is spontaneous for all metal dioxides, and the stability of the O═MH(OH) species depends on the transition metal center. Subsequently, the reaction mechanism splits into two paths: the first one takes place passing through the M(OH)2 intermediates yielding to products, whereas the second one corresponds to direct formation of the product complex OM(H2O). A two-state reactivity mechanism was found for the TiO2 system, whereas for ZrO2 and HfO2 no spin-crossing processes were observed. This is confirmed by CASSCF/CASPT2 calculations for ZrO2 that lead to the correct ordering of electronic states not found by DFT. The results obtained in the present paper for MO2 molecules are consistent with the observed reactivity on surfaces. PMID:23706045

  1. Properties of electrochromic devices made with Nb2O5 and Nb2O5:X (X=Li, Ti, or Mo) as coloring electrode

    NASA Astrophysics Data System (ADS)

    Schmitt, Mike; Aegerter, Michel A.

    1999-10-01

    Electrochromic windows using Nb2O5, Nb2O5- Li2O, Nb2O5-TiO2 and Nb2O5-MoO3 sol-gel layers as cathodic coloring electrodes and CeO2- TiO2 as anodic ion-storage electrode have been assembled and tested. In agreement with a theoretical estimation, the switching behavior of these devices is strongly dependent on the difference between the internal potential of the electrochromic and the ion-storage electrodes. Only the configuration using a Nb2O5-MoO3 layer enters in consideration for long-time switching within the safe voltage range -2.5 V < V < +2.5 V. All other cells require larger negative potentials. The 8 X 4 cm2 devices built with Nb2O5:Mo are transparent with a slightly yellow color in the bleached state (+2.5 V) and dark gray in the colored state (-2.5 V). For a fixed thickness of the EC electrode (180 nm) the photopic transmittance increases with the thickness of the ion storage layer dIS in agreement with the model prediction. It reaches a maximum of ca. 0.3, corresponding to a Li+ intercalated charge density of 18 mC/cm2. For dIS is congruent to 950 nm, such devices are stable up to at least 12,000 cycles under potentiostatic cycling between +/- 2.5 V, 120 s.

  2. Investigation of energy-transfer processes in Nb-compensated CaMoO4:Nd(3+) crystals

    SciTech Connect

    Elouadi, B.; Powell, R.C.; Holt, S.L.

    1987-01-01

    The temperature dependence and time evolution of fluorescence were studied for samples of CaMoO4:YNbO4 and CaMoO4:NdNbO4 and the results are used to characterize the thermal quenching and host-sensitized energy-transfer properties of these materials. Doping with YNbO4 is found to enhance the room-temperature luminescence yield of CaMoO4. Efficient host-sensitized energy transfer to Nd/sup 3 +/ ions was observed in CaMoO4:NdNbO4, and the fluorescence lifetime of Nd(3+) was found to be close to its radiative lifetime in this host.

  3. Hydrogen trapping by solute atoms in Nb--Mo(3 at. %) alloys as observed by the channeling method

    SciTech Connect

    Yagi, E.; Nakamura, S.; Kano, F.; Kobayashi, T.; Watanabe, K.; Fukai, Y.; Matsumoto, T.

    1989-01-01

    In order to elucidate the mechanism of the enhancement of the terminal solubility for hydrogen (TSH) in Nb by alloying with undersized Mo atoms, the state of hydrogen was studied by the channeling method using a nuclear reaction /sup 1/H(/sup 11/B, ..cap alpha..)..cap alpha cap alpha.. in Nb--Mo(3 at. %) alloys. At room temperature H atoms are located at sites displaced from tetrahedral (T) sites by about 0.6 A towards the nearest-neighbor lattice points, while at 373 K they are at T sites. These results give direct evidence for trapping of hydrogen by Mo atoms and strongly support the trapping model for the enhancement of the TSH in the low-concentration region of Mo atoms.

  4. Hydrogen trapping by solute atoms in Nb-Mo(3 at. %) alloys as observed by the channeling method

    NASA Astrophysics Data System (ADS)

    Yagi, Eiichi; Nakamura, Shiho; Kano, Fumihisa; Kobayashi, Takane; Watanabe, Kenji; Fukai, Yuh; Matsumoto, Takehiko

    1989-01-01

    In order to elucidate the mechanism of the enhancement of the terminal solubility for hydrogen (TSH) in Nb by alloying with undersized Mo atoms, the state of hydrogen was studied by the channeling method using a nuclear reaction 1H(11B, α)αα in Nb-Mo(3 at. %) alloys. At room temperature H atoms are located at sites displaced from tetrahedral (T) sites by about 0.6 Å towards the nearest-neighbor lattice points, while at 373 K they are at T sites. These results give direct evidence for trapping of hydrogen by Mo atoms and strongly support the trapping model for the enhancement of the TSH in the low-concentration region of Mo atoms.

  5. Electrical and thermal transport properties of Nb- and Ru-substituted Mo3Al2C superconducting compounds

    NASA Astrophysics Data System (ADS)

    Ramachandran, B.; Jhiang, J. Y.; Kuo, Y. K.; Kuo, C. N.; Lue, C. S.

    2016-03-01

    Partial substitution effects of Nb and Ru on the superconducting and normal-state properties of Mo3Al2C-based compounds, namely Mo3-x Nb x Al2C (x = 0.00-0.25) and Mo3-x Ru x Al2C (x = 0.00-0.15), were investigated by means of electrical, magnetic, and thermoelectric studies. From the resistivity and magnetization data, we noted that the superconducting transition temperature of Mo3Al2C decreases gradually with increasing the dopant content of Nb and Ru, and the superconducting volume fraction also decreases significantly upon the substitution. The electrons dominate the thermoelectric transport in the studied compounds. Moreover, a change of curvature near 50 K in the transport properties of the parent Mo3Al2C compound was observed, prior to the superconducting transition. This is most likely due to the strong electron-phonon interaction which could have originated from the distortions near the Al sites. Finally, it was found that electronic carriers contribute considerably to heat conduction of the Mo3Al2C-based compounds near room temperature, whereas the phonons dominate the low-temperature thermal transport.

  6. On yield loci of HY80, HY100 steels and Ti-6Al-2Nb-1Ta-0. 8Mo

    SciTech Connect

    Chan, K.S.; Lindholm, U.S.; Wise, J.

    1984-11-01

    This paper extends other findings by examining the biaxial yield behavior of Ti-6A1-1Nb-1Ta-0.8Mo and HY 100 steel. The results of the study are compared with previous findings of HY80 steel to assess the effect of crystallography on the shape of the yield surface.

  7. Carbide precipitation and high-temperature strength of hot-rolled high-strength, low-alloy steels containing Nb and Mo

    NASA Astrophysics Data System (ADS)

    Lee, Won-Beom; Hong, Seung-Gab; Park, Chan-Gyung; Park, Sung-Ho

    2002-06-01

    The effects of a Mo addition on both the precipitation kinetics and high-temperature strength of a Nb carbide have been investigated in the hot-rolled high-strength, low-alloy (HSLA) steels containing both Nb and Mo. These steels were fabricated by four-pass hot rolling and coiling at 650°C, 600°C, and 550°C. Microstructural analysis of the carbides has been performed using field-emission gun transmission electron microscopy (TEM) employing energy-dispersive X-ray spectroscopy (EDS). The steels containing both Nb and Mo exhibited a higher strength at high temperatures (˜600 °C) in comparison to the steel containing only Nb. The addition of Mo increased the hardenability and led to the refinement of the bainitic microstructure. The proportion of the bainitic phase increased with the increase of Mo content. The TEM observations revealed that the steels containing both Nb and Mo exhibited fine (<10 nm) and uniformly distributed metal carbide (MC)-type carbides, while the carbides were coarse and sparsely distributed in the steels containing Nb only. The EDS analysis also indicated that the fine MC carbides contain both Nb and Mo, and the ratio of Mo/Nb was higher in the finer carbides. In addition, electron diffraction analysis revealed that most of the MC carbides had one variant of the B-N relationship ((100)MC//(100)ferrite, [011]MC//[010]ferrite) with the matrix, suggesting that they were formed in the ferrite region. That is, the addition of Mo increased the nucleation sites of MC carbides in addition to the bainitic transformation, which resulted in finer and denser MC carbides. It is, thus, believed that the enhanced high-temperature strength of the steels containing both Nb and Mo was attributed to both bainitic transformation hardening and the precipitation hardening caused by uniform distribution of fine MC particles.

  8. 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.

  9. Oxidation characteristics of Ti-25Al-10Nb-3V-1Mo intermetallic alloy

    NASA Technical Reports Server (NTRS)

    Wallace, Terryl A.; Clark, Ronald K.; Sankaran, Sankara N.; Wiedemann, Karl E.

    1990-01-01

    Static oxidation kinetics of the super-alpha 2 titanium-aluminide alloy Ti-25Al-10Nb-3V-1Mo (at. percent) were investigated in air over the temperature range of 650 to 1000 C using thermogravimetric analysis. The oxidation kinetics were complex at all exposure temperatures and displayed up to three distinct oxidation rates. Breakaway oxidation occurred after long exposure times at high temperatures. Oxidation products were determined using x ray diffraction techniques, electron microprobe analysis, and energy dispersive x ray analysis. Oxide scale morphology was examined by scanning electron microscopy of the surfaces and cross sections of oxidized specimens. The oxides during the parabolic stages were compact and multilayered, consisting primarily of TiO2 doped with Nb, a top layer of Al2O3, and a thin bottom layer of TiN. The transition between the second and third parabolic stage was found to be linked to the formation of a TiAl layer at the oxide-metal interface. Porosity was formed during the third stage, causing degradation of the oxide and the beginning of breakaway oxidation.

  10. Oxidation characteristics of Ti-25Al-10Nb-3V-1Mo

    NASA Technical Reports Server (NTRS)

    Wallace, T. A.; Clark, R. K.; Wiedemann, K. E.; Sankaran, S. N.

    1992-01-01

    Static oxidation kinetics of the super-alpha 2 titanium-aluminide alloy Ti-25Al-10Nb-3V-1Mo (at. percent) were investigated in air over the temperature range of 650 to 1000 C using thermogravimetric analysis. The oxidation kinetics were complex at all exposure temperatures and displayed up to three distinct oxidation rates. Breakaway oxidation occurred after long exposure times at high temperatures. Oxidation products were determined using X-ray diffraction techniques, electron microprobe analysis, and energy dispersive X-ray analysis. Oxide scale morphology was examined by scanning electron microscopy of the surfaces and cross sections of oxidized specimens. The oxides during the parabolic stages were compact and multilayered, consisting primarily of TiO2 doped with Nb, a top layer of Al2O3, and a thin bottom layer of TiN. The transition between the second and third parabolic stage was found to be linked to the formation of a TiAl layer at the oxide-metal interface. Porosity was formed during the third stage, causing degradation of the oxide and the beginning of breakaway oxidation.

  11. Vanadium Oxide Thin Films Alloyed with Ti, Zr, Nb, and Mo for Uncooled Infrared Imaging Applications

    NASA Astrophysics Data System (ADS)

    Ozcelik, Adem; Cabarcos, Orlando; Allara, David L.; Horn, Mark W.

    2013-05-01

    Microbolometer-grade vanadium oxide (VO x ) thin films with 1.3 < x < 2.0 were prepared by pulsed direct-current (DC) sputtering using substrate bias in a controlled oxygen and argon environment. These films were systematically alloyed with Ti, Nb, Mo, and Zr using a second gun and radiofrequency (RF) reactive co-sputtering to probe the effects of the transition metals on the film charge transport characteristics. The results reveal that the temperature coefficient of resistance (TCR) and resistivity are unexpectedly similar for alloyed and unalloyed films up to alloy compositions in the ˜20 at.% range. Analysis of the film structures for the case of the 17% Nb-alloyed film by glancing-angle x-ray diffraction and transmission electron microscopy shows that the microstructure remains even with the addition of high concentrations of alloy metal, demonstrating the robust character of the VO x films to maintain favorable electrical transport properties for bolometer applications. Postdeposition thermal annealing of the alloyed VO x films further reveals improvement of electrical properties compared with unalloyed films, indicating a direction for further improvements in the materials.

  12. Optimization of the Ti-16.2Hf-24.8Nb-1Zr Alloy by Cold Working

    NASA Astrophysics Data System (ADS)

    González, M.; Peña, J.; Manero, J. M.; Arciniegas, M.; Gil, F. J.

    2009-08-01

    The objective of the present work is to characterize the influence of cold work on the thermoelastic martensitic transformation and on the apparent elastic modulus of the Ni-free Ti-21.6Hf-23.7Nb-1Zr alloy in order to determine the key factor that promotes the desired shape memory properties and/or low apparent elastic modulus. A vacuum arc melted button of each alloy was heat treated at 1100 °C during 1.5 h and quenched with a mixture of ethanol/water at 0 °C. Samples of the alloy were cold rolled from 5% up to 95% and, finally, microstructurally and mechanically characterized. The apparent elastic modulus for each condition as well as the reversibility percentages were evaluated by instrumented nanoindentation using a Berkovich tip and a spherical tip, respectively. A higher proportion of martensite was found in the low cold work percentages compared to the untreated material as it was observed by optical and TEM microscopy. A decrease in the apparent elastic modulus was observed when increasing the cold work percentage. The lowest value was found in the 99% cold work condition with 44 GPa, value closer to that of cortical bone. Cyclic nanoindentation tests show an increase in the reversibility percentages in the cold worked condition compared to the untreated material.

  13. Resistive switching and electrical control of ferromagnetism in a Ag/HfO₂/Nb:SrTiO₃/Ag resistive random access memory (RRAM) device at room temperature.

    PubMed

    Ren, Shaoqing; Zhu, Gengchang; Xie, Jihao; Bu, Jianpei; Qin, Hongwei; Hu, Jifan

    2016-02-10

    Electrically induced resistive switching and modulated ferromagnetism are simultaneously found in a Ag/HfO2/Nb:SrTiO3/Ag resistive random access memory device at room temperature. The bipolar resistive switching (RS) can be controlled by the modification of a Schottky-like barrier with an electron injection-trapped/detrapped process at the interface of HfO2-Nb:SrTiO3. The multilevel RS transition can be observed in the reset process with larger negative voltage sweepings, which is connected to the different degree of electron detrapping in the interfacial depletion region of the HfO2 layer during the reset process. The origin of the electrical control of room-temperature ferromagnetism may be connected to the change of density of oxygen vacancies in the HfO2 film. The multilevel resistance states and the electric field controlled ferromagnetism have potential for applications in ultrahigh-density storage and magnetic logic device. PMID:26761365

  14. Composition and temperature dependences of site occupation for Al, Cr, W, and Nb in MoSi2

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Ping; Sun, Shun-Ping; Yu, Yun; Wang, Hong-Jin; Jiang, Yong; Yi, Dan-Qing

    2015-12-01

    The composition and temperature dependences of site occupation for Al, Cr, W, and Nb in MoSi2 are investigated by using a thermodynamics model and first principles calculations. A simple parameter measuring the substitution energy difference between Si and Mo sites reflects the nature of site occupancy. At 0 K, these elements prefer Si sites in Mo-rich and Mo sites in Si-rich, and show no site preference in stoichiometric MoSi2. At elevated temperature, the site occupation behaviors show strong dependence on both composition and temperature. Some calculated results have been certified in previous experiments. Project supported by the National Natural Science Foundation of China (Grant No. 51401093) and the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20130233).

  15. Chemical separation of Mo and W from terrestrial and extraterrestrial samples via anion exchange chromatography.

    PubMed

    Nagai, Yuichiro; Yokoyama, Tetsuya

    2014-05-20

    A new two-stage chemical separation method was established using an anion exchange resin, Eichrom 1 × 8, to separate Mo and W from four natural rock samples. First, the distribution coefficients of nine elements (Ti, Fe, Zn, Zr, Nb, Mo, Hf, Ta, and W) under various chemical conditions were determined using HCl, HNO3, and HF. On the basis of the obtained distribution coefficients, a new technique for the two-stage chemical separation of Mo and W, along with the group separation of Ti-Zr-Hf, was developed as follows: 0.4 M HCl-0.5 M HF (major elements), 9 M HCl-0.05 M HF (Ti-Zr-Hf), 9 M HCl-1 M HF (W), and 6 M HNO3-3 M HF (Mo). After the chemical procedure, Nb remaining in the W fraction was separated using 9 M HCl-3 M HF. On the other hand, Nb and Zn remaining in the Mo fraction were removed using 2 M HF and 6 M HCl-0.1 M HF. The performance of this technique was evaluated by separating these elements from two terrestrial and two extraterrestrial samples. The recovery yields for Mo, W, Zr, and Hf were nearly 100% for all of the examined samples. The total contents of the Zr, Hf, W, and Mo in the blanks used for the chemical separation procedure were 582, 9, 29, and 396 pg, respectively. Therefore, our new separation technique can be widely used in various fields of geochemistry, cosmochemistry, and environmental sciences and particularly for multi-isotope analysis of these elements from a single sample with significant internal isotope heterogeneities. PMID:24801276

  16. Single and Double Beta-Decay Q Values among the Triplet 96Zr, 96Nb, and 96Mo

    NASA Astrophysics Data System (ADS)

    Alanssari, M.; Frekers, D.; Eronen, T.; Canete, L.; Dilling, J.; Haaranen, M.; Hakala, J.; Holl, M.; Ješkovský, M.; Jokinen, A.; Kankainen, A.; Koponen, J.; Mayer, A. J.; Moore, I. D.; Nesterenko, D. A.; Pohjalainen, I.; Povinec, P.; Reinikainen, J.; Rinta-Antila, S.; Srivastava, P. C.; Suhonen, J.; Thompson, R. I.; Voss, A.; Wieser, M. E.

    2016-02-01

    The atomic mass relations among the mass triplet 96Zr, 96Nb, and 96Mo have been determined by means of high-precision mass measurements using the JYFLTRAP mass spectrometer at the IGISOL facility of the University of Jyväskylä. We report Q values for the 96Zr single and double β decays to 96Nb and 96Mo, as well as the Q value for the 96Nb single β decay to 96Mo, which are Qβ(96Zr)=163.96 (13 ) , Qβ β(96Zr)=3356.097 (86 ) , and Qβ(96Nb)=3192.05 (16 ) keV . Of special importance is the 96Zr single β -decay Q value, which has never been determined directly. The single β decay, whose main branch is fourfold unique forbidden, is an alternative decay path to the 96Zr β β decay, and its observation can provide one of the most direct tests of the neutrinoless β β -decay nuclear-matrix-element calculations, as these can be simultaneously performed for both decay paths with no further assumptions. The theoretical single β -decay rate has been re-evaluated using a shell-model approach, which indicates a 96Zr single β -decay lifetime within reach of an experimental verification. The uniqueness of the decay also makes such an experiment interesting for an investigation into the origin of the quenching of the axial-vector coupling constant gA.

  17. Microstructures and Stability Origins of β-(Ti,Zr)-(Mo,Sn)-Nb Alloys with Low Young's Modulus

    NASA Astrophysics Data System (ADS)

    Wang, Qing; Li, Qun; Li, Xiaona; Zhang, Ruiqian; Gao, Xiaoxia; Dong, Chuang; Liaw, Peter K.

    2015-09-01

    The present work investigates the microstructural evolution and β-phase stability of a multi-component [(Mo,Sn)-(Ti,Zr)14]-Nb alloy series developed using the cluster-plus-glue-atom model. Low Young's modulus ( E) can be reached, when both low- E elements, Sn and Zr, and β-Ti stabilizers, Mo and Nb, are properly incorporated in the so-called cluster formulas. After the X-ray diffraction and transmission electron microscopy analysis, and in combination with the β-Ti stability measured by the Mo equivalent, the Young's modulus of β-Ti alloys is found to increase with increasing β stabilities and is closely related to both the microstructures of the β matrix and the precipitated phases. More importantly, the morphologies of the β matrix change with β stabilities apparently so that high- E ( E >70 GPa) and low- E ( E ≤70 GPa) β-Ti alloys can be distinguished with the microstructures of the β matrix. The quinary alloy, formulated as [(Mo0.5Sn0.5)-(Ti13Zr1)]Nb1, owns its lowest E of 48 GPa among the present alloy series to the mixed thin-lamellar and rod-shaped morphology of the β structure with the lowest stability for the β formation.

  18. Significant Improvement of Mechanical Properties in NiAl-Cr(Mo)/Hf Alloy by Suction Casting and Subsequent Hot Isostatic Pressing

    NASA Astrophysics Data System (ADS)

    Guo, J. T.; Huai, K. W.; Li, H. T.

    2007-01-01

    The NiAl-28Cr-5.5Mo-0.5Hf eutectic alloy was prepared by the suction casting (SC) technique and subsequent hot isostatic pressing (HIP) treatment, and tested for compressive strength and fracture behavior in the temperature range of 300 to 1373 K. The microstructure of suction-cast alloy is characterized by fine interlamellar spacing, large area fraction of eutectic cell, and fine Heusler (Ni2AlHf) phase distributed semicontinuously at the cell boundaries. After HIP treatment, Ni2AlHf phase at the cell boundaries is transformed into Hf solid solution phase and distributed homogeneously within the NiAl matrix. Compared with the conventionally cast alloy, the room-temperature compressive strain and elevated temperature strength of suction-cast alloy are enhanced markedly after HIP treatment. The reason is that the HIP treatment causes Hf solid solution phase to distribute homogeneously and then strengthens the NiAl matrix.

  19. Precipitation of Laves phase in a 28%Cr-4%Ni-2%Mo-Nb superferritic stainless steel

    SciTech Connect

    Fontoura de Andrade, Thiago; Madeira Kliauga, Andrea; Plaut, Ronald Lesley; Padilha, Angelo Fernando

    2008-05-15

    The main objective of the present work was to study the precipitation of the Laves phase in the X1 CrNiMoNb 28 4 2 (Werkstoff-Nr. DIN 1.4575) superferritic stainless steel employing several complementary techniques of microstructural analysis. The phase that precipitated in largest quantity in the DIN 1.4575 steel was the sigma ({sigma}) phase. However, along grain boundaries, after aging at 850 deg. C, a Laves phase of the MgZn{sub 2} type, with a hexagonal C14 crystal structure and chemical composition (Fe,Cr,Ni){sub 2}(Nb,Mo,Si), was also identified. Growth of the Laves phase is curtailed by exhaustion of niobium of the matrix and by the presence of the sigma phase, which also precipitates in the vicinity of the grain boundaries, however in larger amounts. No chi ({chi}) or austenite phases were detected in the temperature range studied.

  20. Effect of dopants on the soft magnetic properties and high frequency characteristics of FeCoBM (M = Ti, Nb, Hf, and Ta) thin films.

    PubMed

    Hsieh, C C; Lin, T H; Chang, H W; Chang, C W; Chang, W C; Yang, C C

    2011-03-01

    Effect of dopants on the soft magnetic properties and high frequency characteristics of FeCoBM thin films (M = Ti, Nb, Hf, and Ta) have been studied. For (Fe0.55Co0.45)(100-x)B(x) (x = 5-15) thin films, with the increase of B content, the resistivity was increased because B could decrease the crystallinity of the films. The (Fe0.55Co0.45)90B10 thin film showed the optimum properties, where 4piM(s) = 16.1 kG, H(ce) = 64.2 Oe, H(ch) = 13.5 Oe, H(k) = 310 Oe and p = 338 microomega-cm. To reduce the coercivity of the film, the elements M, including Ti, Nb, Hf, and Ta, were selected to substitute for B in the FeCoB films. It was found that (Fe0.55Co0.45)90B6Ti2Nb2 thin film after annealing at a temperature of 200 degrees C for 30 min showed the optimal properties, where 4piM(s) = 15.8 kG, H(ce) = 4.8 Oe, H(ch) = 3.6 Oe, H(k) = 224 Oe and p = 290 microomega-cm. The theoretically calculated ferromagnetic resonance frequency of the developed films can be higher than 5 GHz. PMID:21449469

  1. 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.

  2. Calculation for the excitation functions of the {sup 93}Nb(p,n){sup 93}Mo{sup m}, {sup 93}Nb(p,{alpha}n){sup 89}Zr, and {sup 93}Nb(p,np+pn){sup 92}Nb{sup m} reactions

    SciTech Connect

    Gul, K.

    2009-04-15

    Statistical model calculation has been carried out for the excitation functions of the {sup 93}Nb(p,n){sup 93}Mo{sup m}, {sup 93}Nb(p,{alpha}n){sup 89}Zr, and {sup 93}Nb(p,np+pn){sup 92}Nb{sup m} reactions up to a 20-MeV proton energy range using global reaction parameters. The results are compared and discussed with reported measurements. The calculation for the excitation function of the {sup 93}Nb(p,n){sup 93}Mo{sup m} reaction can only match the measured magnitudes of cross sections if we postulate the existence of two energy levels with spin-parity values of 19/2{sup +} and 17/2{sup -} lying immediately above the 2.425 MeV (21/2{sup +}) isomeric state. The existence of the hypothetical levels has been discussed in the light of reported shell-model calculations.

  3. Investigation of (110)Mo, (110)W monocrystals and Nb polycrystal implanted by oxygen ions and used as TEC electrodes

    SciTech Connect

    Tsakadze, L.M.

    1995-12-31

    In an effort to improve efficiency of a thermionic energy converter (TEC), converting thermal power into electric power, there were investigated collectors made of (110)Mo and (110)W monocrystals, and Nb polycrystal, all being implanted by oxygen ions with fluence of 1*10{sup 18} cm{sup {minus}2}. For emitters there were used (110)Mo and (110)W monocrystals, and Nb polycrystal implanted by oxygen ions, respectively. The performance of TEC with implanted electrode material is compared with this of TEC having electrodes of non-implanted materials. It is demonstrated that for emitter temperature range of 1,473 to 1,873 K employment of (110)Mo and (110)W monocrystals, implanted by oxygen ions, for TEC collector allows to increase the specific output power of a converter approximately by a factor of 1.6, and employment of implanted Nb for electrodes -- to increase this value approximately by a factor of 3, as compared with non-implanted electrode materials. The upgraded performance of TEC with implanted electrode materials is caused by the increase of minimum values of the collector working function by {approximately}0.15--0.2 eV as compared with non-implanted collectors, as well as by improvement of emitter emissive and adsorption properties due to oxygen supply from collectors at operating temperatures.

  4. Microstructure and phase evolution in laser clad chromium carbide-NiCrMoNb

    NASA Astrophysics Data System (ADS)

    Venkatesh, L.; Samajdar, I.; Tak, Manish; Doherty, Roger D.; Gundakaram, Ravi C.; Prasad, K. Satya; Joshi, S. V.

    2015-12-01

    Microstructural development in laser clad layers of Chromium carbide (CrxCy)-NiCrMoNb on SA 516 steel has been investigated. Although the starting powder contained both Cr3C2 and Cr7C3, the clad layers showed only the presence of Cr7C3. Microtexture measurements by electron back scattered diffraction (EBSD) revealed primary dendritic Cr7C3 with Ni rich FCC metallic phase being present in the interdendritic spaces. Further annealing of the laser clad layers and furnace melting of the starting powder confirmed that Cr7C3 is the primary as well as stable carbide phase in this multi component system. Increase in laser power and scanning speed progressively reduced carbide content in the laser clad layers. Increased scanning speed, which enhances the cooling rate, also led to reduction in the secondary arm spacing (λ2) of the Cr7C3 dendrites. The clad layer hardness increased with carbide content and with decreased dendrite arm spacing.

  5. Electrochemical comparison and biological performance of a new CoCrNbMoZr alloy with commercial CoCrMo alloy.

    PubMed

    Andrei, M; Galateanu, B; Hudita, A; Costache, M; Osiceanu, P; Calderon Moreno, J M; Drob, S I; Demetrescu, I

    2016-02-01

    A new CoCrNbMoZr alloy, with Nb and Zr content is characterized from the point of view of surface features, corrosion resistance and biological performance in order to be proposed as dental restorative material. Its properties are discussed in comparison with commercial Heraenium CE alloy based on Co, Cr and Mo as well. The microstructure of both alloys was revealed by scanning electron microscopy (SEM). The composition and thickness of the alloy native passive films were identified by X-ray photoelectron spectroscopy (XPS). The surface characteristics were analyzed by atomic force microscopy (AFM) and contact angle techniques. The quantity of ions released from alloys in artificial saliva was evaluated with inductively coupled plasma-mass spectroscopy (ICP-MS) measurements. The electrochemical stability was studied in artificial Carter-Brugirard saliva, performing open circuit potentials, polarization resistances and corrosion currents and rates. The biological performance of the new alloy was tested in vitro in terms of human adipose stem cells (hASCs) morphology, viability and proliferation status. The new alloy is very resistant to the attack of the aggressive ions from the artificial saliva. The surface properties, the roughness and wettabiliy sustain the cell behavior. The comparison of the new alloy behavior with that of existing commercial CoCrMo alloy showed the superior properties of the new metallic biomaterial. PMID:26652383

  6. Single and Double Beta-Decay Q Values among the Triplet ^{96}Zr, ^{96}Nb, and ^{96}Mo.

    PubMed

    Alanssari, M; Frekers, D; Eronen, T; Canete, L; Dilling, J; Haaranen, M; Hakala, J; Holl, M; Ješkovský, M; Jokinen, A; Kankainen, A; Koponen, J; Mayer, A J; Moore, I D; Nesterenko, D A; Pohjalainen, I; Povinec, P; Reinikainen, J; Rinta-Antila, S; Srivastava, P C; Suhonen, J; Thompson, R I; Voss, A; Wieser, M E

    2016-02-19

    The atomic mass relations among the mass triplet ^{96}Zr, ^{96}Nb, and ^{96}Mo have been determined by means of high-precision mass measurements using the JYFLTRAP mass spectrometer at the IGISOL facility of the University of Jyväskylä. We report Q values for the ^{96}Zr single and double β decays to ^{96}Nb and ^{96}Mo, as well as the Q value for the ^{96}Nb single β decay to ^{96}Mo, which are Q_{β}(^{96}Zr)=163.96(13), Q_{ββ}(^{96}Zr)=3356.097(86), and Q_{β}(^{96}Nb)=3192.05(16)  keV. Of special importance is the ^{96}Zr single β-decay Q value, which has never been determined directly. The single β decay, whose main branch is fourfold unique forbidden, is an alternative decay path to the ^{96}Zr ββ decay, and its observation can provide one of the most direct tests of the neutrinoless ββ-decay nuclear-matrix-element calculations, as these can be simultaneously performed for both decay paths with no further assumptions. The theoretical single β-decay rate has been re-evaluated using a shell-model approach, which indicates a ^{96}Zr single β-decay lifetime within reach of an experimental verification. The uniqueness of the decay also makes such an experiment interesting for an investigation into the origin of the quenching of the axial-vector coupling constant g_{A}. PMID:26943530

  7. Microstructure-Property Relationship in the Thermomechanically Processed C-Mn-Si-Nb-Al-(Mo) TRIP Steels before and after PS/BH Treatment

    SciTech Connect

    Timokhina, I. B.; Enomoto, M; Miller, Michael K; Pereloma, E. V.

    2012-01-01

    The effect of prestraining and bake hardening (PS/BH) on the development of microstructures and mechanical properties in thermomechanically processed transformation-induced plasticity (TRIP) steels with additions of Nb, Mo, and Al was studied by atom probe tomography (APT) and transmission electron microscopy (TEM). An increase in number density and sizes of clusters and nanoscale precipitates was observed in both steels but was more significant in the Nb-Al-Mo steel than in the Nb-Al steel. This increase could be explained by the possible fast diffusion of Nb and Mo atoms at low temperatures, as was observed for surface diffusivity. The contributions of cluster strengthening and precipitation strengthening to the yield strength increment after PS/BH were estimated.

  8. Mechanical and physicochemical characterization along with biological interactions of a new Ti25Nb21Hf alloy for bone tissue engineering.

    PubMed

    Herranz-Diez, C; Gil, F J; Guillem-Marti, J; Manero, J M

    2015-08-01

    Nowadays, one of the main challenges in metal implants for bone substitution is the achievement of an elastic modulus close to that of human cortical bone as well as to provide an adequate interaction with the surrounding tissue avoiding in vivo foreign body reaction. From this perspective, a new Ti-based alloy has been developed with Nb and Hf as alloying elements which are known as non-toxic and with good corrosion properties. The microstructure, mechanical behaviour and the physicochemical properties of this novel titanium alloy have been studied. Relationship of surface chemistry and surface electric charge with protein adsorption and cell adhesion has been evaluated due to its role for understanding the mechanism of biological interactions with tissues. The Ti25Nb21Hf alloy presented a lower elastic modulus than commercial alloys with a superior ultimate strength and yield strength than CP-Ti and very close to Ti6Al4V. It also exhibited good corrosion resistance. Furthermore, the results revealed that it had no cytotoxic effect on rat mesenchymal stem cells and allowed protein adsorption and cell adhesion. The experimental results make this alloy a promising material for bone substitution or for biomedical devices. PMID:25805057

  9. {beta} decay of the 21/2{sup +} isomer in {sup 93}Mo and level structure of {sup 93}Nb

    SciTech Connect

    Hori, T.; Masue, T.; Odahara, A.; Kura, K.; Tajiri, K.; Shimoda, T.; Fukuchi, T.; Suzuki, T.; Wakabayashi, Y.; Gono, Y.; Ogawa, K.

    2009-09-15

    The {gamma} rays associated with {beta} decay of the 21/2{sup +} isomer in {sup 93}Mo (E{sub x}=2.425 MeV, T{sub 1/2}=6.85 h) were measured with a selective sensitivity to long-lived isomer decays. A new 1262-keV transition was found in the {gamma}-{gamma} coincidence measurement, and it was attributed to a transition in {sup 93}Nb, which is the daughter nucleus of the {beta} decay of the {sup 93}Mo isomer, from the 2.753- to the 1.491-MeV levels. Accurate {gamma}-ray intensity balances have determined the {beta}-decay intensity from the {sup 93}Mo isomer to the 2.753-MeV level in {sup 93}Nb and placed no appreciable intensity for the previously reported {beta}-decay branching to the 2.180-MeV level, for which a recent in-beam {gamma}-ray experiment assigned to be I{sup {pi}} = 17/2{sup -}. Based on the {gamma}-ray intensities from the 2.753-MeV level, spin-parity assignment of this level was revised from 21/2{sup +} to 19/2{sup +}. The observed {beta}-decay intensity and the spin-parity assignment were explained by the jj-coupling shell model calculations.

  10. Epitaxial 2D MoSe2 (HfSe2) Semiconductor/2D TaSe2 Metal van der Waals Heterostructures.

    PubMed

    Tsoutsou, Dimitra; Aretouli, Kleopatra E; Tsipas, Polychronis; Marquez-Velasco, Jose; Xenogiannopoulou, Evangelia; Kelaidis, Nikolaos; Aminalragia Giamini, Sigiava; Dimoulas, Athanasios

    2016-01-27

    Molecular beam epitaxy of 2D metal TaSe2/2D MoSe2 (HfSe2) semiconductor heterostructures on epi-AlN(0001)/Si(111) substrates is reported. Electron diffraction reveals an in-plane orientation indicative of van der Waals epitaxy, whereas electronic band imaging supported by first-principles calculations and X-ray photoelectron spectroscopy indicate the presence of a dominant trigonal prismatic 2H-TaSe2 phase and a minor contribution from octahedrally coordinated TaSe2, which is present in TaSe2/AlN and TaSe2/HfSe2/AlN but notably absent in the TaSe2/MoSe2/AlN, indicating superior structural quality of TaSe2 grown on MoSe2. Apart from its structural and chemical compatibility with the selenide semiconductors, TaSe2 has a workfunction of 5.5 eV as measured by ultraviolet photoelectron spectroscopy, which matches very well with the semiconductor workfunctions, implying that epi-TaSe2 can be used for low-resistivity contacts to MoSe2 and HfSe2. PMID:26727305

  11. Abrasive wear behavior of a brittle matrix (MoSi2) composite reinforced with a ductile phase (Nb)

    SciTech Connect

    Alman, David E.; Hawk, Jeffrey A.

    2001-10-01

    The toughness of a variety of brittle ceramic and intermetallic matrices has been improved through the incorporation of ductile metallic reinforcements. In these composites resistance to catastrophic failure of the matrix is derived through a combination of mechanisms, including matrix crack bridging, matrix crack defection and rupturing of the ductile phase. The degree to which these mechanisms operate is a function of composite microstructure. In general, the ductile phase is softer than the matrix phase. This may have unique implications when the materials are subjected to a wear environment, whether intentional or not. Hence, it is important to understand the wear behavior of these new materials. MoSi2–Nb was selected as a model composite system, in part because of the wide body of open literature regarding this system. The influences of abrasive wear environment and the composite microstructure (Nb reinforcement size, shape and volume fraction) on the wear resistance of the composites are reported.

  12. Nd-Hf isotopic mapping of Late Mesozoic granitoids in the East Qinling orogen, central China: Constraint on the basements of terranes and distribution of Mo mineralization

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoxia; Wang, Tao; Ke, Changhui; Yang, Yang; Li, Jinbao; Li, Yinghong; Qi, Qiuju; Lv, Xingqiu

    2015-05-01

    Voluminous Late Mesozoic granitoids and the world's largest Mo deposits occur in the East Qinling. This paper presents the results of Nd-Hf isotopic mapping for the Late Mesozoic granitoids (155-105 Ma) and demonstrates their constraint on the basements and distribution of the Mo deposits in the East Qinling. This isotopic map, made by 98 (21 new and 77 published) whole-rock Nd isotopic and 29 (7 new and 22 published) average zircon Hf isotopic data, shows large variations of whole-rock εNd(t) values from -22.1 to -1.5, and the correspondingly Nd model ages (TDM(Nd)) from 2.83 to 0.79 Ga, and zircon εHf(t) values from -26.3 to +0.1 and two-stage Hf model ages (TDM2(Hf)) from 2.86 to 0.96 Ga. Three regions of variations have been identified from north to south: (a) εNd(t) values range from -22.1 to -10.9 with TDM(Nd) of 2.82-1.47 Ga, and εHf(t) values 26.3 to -13.5 with TDM2(Hf) 2.86-2.04 Ga; (b) εNd(t) values -13.9 to -1.5 with TDM(Nd) 2.02-0.79 Ga, and εHf(t) values -16.2 to +0.1 with TDM2(Hf) 1.96-0.96 Ga; and (c) εNd(t) values -6.3 to -4.5 with TDM(Nd) 1.28-1.12 Ga, and εHf(t) values -1.0 to -0.3 with TDM2(Hf) 1.25-1.22 Ga, respectively. The three regions approximately correspond to the three different terranes, the southern margin of the North China Block (NCB), the North Qinling Belt (NQB) and the South Qinling Belt (SQB), respectively. These demonstrate that the granitoids in the different terranes have distinct sources and their sources change from old to more juvenile from the north (southern margin of the NCB) to the south (SQB). These also reveal the distinct basements for the terranes in Late Mesozoic. The southern margin of the NCB contains widespread Neoarchaean to Paleoproterozoic basement, the NQB comprises Archaean to Neoproterozic basement and the SQB Mesoproterozic to Neoproterozic basement. All these suggest that the three terranes underwent different tectonic evolution and the continental crust of the East Qinling were mainly formed

  13. Rich structural phase diagram and thermoelectric properties of layered tellurides Mo{sub 1−x}Nb{sub x}Te{sub 2}

    SciTech Connect

    Ikeura, Koji; Sakai, Hideaki; Bahramy, Mohammad Saeed; Ishiwata, Shintaro

    2015-04-01

    MoTe{sub 2} is a rare transition-metal ditelluride having two kinds of layered polytypes, hexagonal structure with trigonal prismatic Mo coordination and monoclinic structure with octahedral Mo coordination. The monoclinic distortion in the latter is caused by anisotropic metal-metal bonding. In this work, we have examined the Nb doping effect on both polytypes of MoTe{sub 2} and clarified a structural phase diagram for Mo{sub 1−x}Nb{sub x}Te{sub 2} containing four kinds of polytypes. A rhombohedral polytype crystallizing in polar space group has been newly identified as a high-temperature metastable phase at slightly Nb-rich composition. Considering the results of thermoelectric measurements and the first-principles calculations, the Nb ion seemingly acts as a hole dopant in the rigid band scheme. On the other hand, the significant interlayer contraction upon the Nb doping, associated with the Te p-p hybridization, is confirmed especially for the monoclinic phase, which implies a shift of the p-band energy level. The origin of the metal-metal bonding in the monoclinic structure is discussed in terms of the d electron counting and the Te p-p hybridization.

  14. Glass formation and magnetic properties in the Co and Fe-based amorphous alloy with small Mo or Nb additions

    NASA Astrophysics Data System (ADS)

    Jo, Hye-In; Choi-Yim, Haein

    2012-02-01

    The ferromagnetic metallic glass alloys in the Co-Fe-B-Si-M (M = Mo or Nb) system were investigated. Ingots of [(Co1- x Fe x )0.75B0.2Si0.05]96Mo4 ( x = 0, 0.2, 0.5, 0.8, 1.0) and [(Co1- x Fe x )0.75 B0.2Si0.05]96Nb4 ( x = 0, 0.2, 0.5, 0.8, 1.0) alloys were cast into about 30 µm-thick ribbons by using a melt spinning method. As-spun ribbons were identified as being fully amorphous by using X-ray diffraction (XRD). The thermal stability parameters, such as the supercooled liquid region (Δ T x = T g - T x ) and the exothermic heat (Δ H Exo ), were measured by using differential scanning calorimetry (DSC). For Co-Fe-B-Si-Mo alloys, Δ T x and Δ H Exo were in the range of 41.4-81.7 K and 23.40-104.21 J/g, and for Co-Fe-B-Si-Nb alloys, Δ T x and Δ H Exo were in the range of 60.4-88.0 K and 18.45-62.05 J/g, respectively. These glassy ribbons also exhibited semi-hard magnetic properties, i.e., a coercive force ( H c ) of 67.26-100.68 Oe and a saturation magnetization ( M s ) of 341.288-746.176 emu·cm3.

  15. Memcapacitive characteristics in reactive-metal (Mo, Al)/HfOX/n-Si structures through migration of oxygen by applied voltage

    NASA Astrophysics Data System (ADS)

    Yang, Paul; Noh, Young Jun; Baek, Yoon-Jae; Zheng, Hong; Kang, Chi Jung; Lee, Hyun Ho; Yoon, Tae-Sik

    2016-02-01

    Memcapacitive characteristics were investigated in metal-oxide-semiconductor (MOS) structure of reactive electrode (Mo, Al) and hafnium oxide (HfOX) on n-type Si substrate. The capacitance-voltage curves exhibited sequentially changing capacitance with memory function as repeating voltage sweeps, featured the memcapacitive behaviors. The saturation capacitance was decreased by repeating +V sweeps, while barely changed by -V sweeps. Also, the capacitance-time curves disclosed the same tendency. However, the MOS structure with inert Pt electrode did not show the capacitance change. The memcapacitive behaviors were induced by the migration of oxygen ions from HfOX to reactive electrodes by applied voltage, which altered the permittivity of HfOX.

  16. New intermetallic MIrP (M=Ti, Zr, Nb, Mo) and MgRuP compounds related with MoM'P (M'=Ni and Ru) superconductor

    NASA Astrophysics Data System (ADS)

    Kito, Hijiri; Iyo, Akira; Wada, Toshimi

    2011-01-01

    Using a cubic-anvil high-pressure apparatus, ternary iridium phosphides MIrP (M=Ti, Zr, Nb, Mo) and MgRuP have been prepared by reaction of stoichiometric amounts of each metal and phosphide powders at around 2 Gpa and above 1523 K for the first time. The structure of these compounds prepared at high-pressure has been characterized by X-ray powder diffraction. Diffraction lines of these compounds are assigned by the index of the Co2Si-type structure. The electrical resistivity and the d.c magnetic susceptibility of MIrP (M=Ti, Zr, Nb, Mo) have measured at low temperatures. Unfortunately, no superconducting transition for MIrP (M=Ti, Zr, Nb, Mo) and MgRuP are observed down to 2 K.

  17. A Novel Mo and Nb Microalloyed Medium Mn TRIP Steel with Maximal Ultimate Strength and Moderate Ductility

    NASA Astrophysics Data System (ADS)

    Cai, Minghui; Li, Zhun; Chao, Qi; Hodgson, Peter D.

    2014-11-01

    The multi-phase, metastable, and multi-scale (M3) constitution of a novel transformation-induced plasticity (TRIP) steel (Fe-0.17C-6.5Mn-1.1Al-0.22Mo-0.05Nb, wt pct) was designed through thermodynamic calculations combined with experimental analysis. In this study, Mo and Nb microalloying was used to control the fraction of retained austenite and its mechanical stability during tensile deformation and to improve the yield strength. Thermodynamic calculations were developed to determine the critical annealing temperature, at which a large fraction of retained austenite (~38 pct) would be obtained through the effects of solute enrichment. The experimental observation was in good agreement with the predicted results. According to the critical annealing temperature, such an ultrafine (<200 nm) M3, microstructure with optimum mechanical stability was successfully achieved. The results of this work demonstrated the superior performance with improved yield strength of 1020 to 1140 MPa and excellent ductility (>30 pct), as compared with other TRIP steels. Both angle-selective backscatter and electron backscatter diffraction techniques were employed to interpret the transformation from the deformed martensitic laths to the ultrafine austenite and ferrite duplex structure.

  18. Fabrication and photocatalytic property of Pt-intercalated layered perovskite niobates H(1-x)LaNb(2-x)Mo(x)O(7) (x=0-0.15).

    PubMed

    Huang, Yunfang; Li, Jing; Wei, Yuelin; Li, Yibin; Lin, Jianmin; Wu, Jihuai

    2009-07-15

    H(1-x)LaNb(2-x)Mo(x)O(7) was prepared by solid-state reaction followed by an ion-exchange reaction. Pt was incorporated in the interlayer of H(1-x)LaNb(2-x)Mo(x)O(7) by the stepwise intercalation reaction. The H(1-x)LaNb(2-x)Mo(x)O(7) showed hydrogen production activity and the activities were greatly enhanced by Pt co-incorporating. The x value in H(1-x)LaNb(2-x)Mo(x)O(7) had an important effect on the photocatalytic activity of the catalyst. When the x=0.05, the H(1-x)LaNb(2-x)Mo(x)O(7)/Pt showed a photocatalytic activity of 80 cm(3)h(-1)g(-1) hydrogen evolution rate in 10 vol.% methanol solution under irradiation from a 100 W mercury lamp at 333K. PMID:19111974

  19. M5Si3(M=Ti, Nb, Mo) Based Transition-Metal Silicides for High Temperature Applications

    SciTech Connect

    Tang, Zhihong

    2007-01-01

    Transition metal silicides are being considered for future engine turbine components at temperatures up to 1600 C. Although significant improvement in high temperature strength, room temperature fracture toughness has been realized in the past decade, further improvement in oxidation resistance is needed. Oxidation mechanism of Ti5Si3-based alloys was investigated. Oxidation behavior of Ti5Si3-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti5Si3 by nucleation and growth of nitride subscale. Ti5Si3.2and Ti5Si3C0.5 alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi2 coating developed by pack cementation to protect Mo-based Mo-Si-B composites was found to be effective up to 1500 C. Shifting coating composition to T1+T2+Mo3Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo3Si or T2 interlayer without sacrificing the oxidation resistance of the coating. The phase equilibria in the Nb-rich portion of Nb-B system has been evaluated experimentally using metallographic analysis and differential thermal analyzer (DTA). It was shown that Nbss (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} NbSS + NbB was determined to occur at 2104 ± 5 C by DTA.

  20. Effects of anodic oxidation and hydrothermal treatment on surface characteristics and biocompatibility of Ti-30Nb-1Fe-1Hf alloy

    NASA Astrophysics Data System (ADS)

    Ou, Shih-Fu; Chou, Hsin-Hua; Lin, Chao-Sung; Shih, Ching-Jui; Wang, Kuang-Kuo; Pan, Yung-Ning

    2012-06-01

    Anodic oxidation followed by hydrothermal treatment has been widely applied for surface modification of titanium alloys to precipitate a crystalline hydroxyapatite (HA) layer in order to achieve improved osteoconduction. A majority of the studies in the literature imposed relatively high powers to enhance Ca and P in the anodic oxide film (AOF). However, high powers have been found to cause deterioration of the adhesive strength in one of the author's previous study. In this study, a new electrolyte comprising calcium acetate monohydrate (CA), β-glycerophosphate disodium pentahydrate (β-GP) and HA powder was developed, and the Ti-30Nb-1Fe-1Hf alloy was anodized in this HA-containing electrolyte to a relatively low voltage. Results show that the AOF anodized in the HA-containing electrolyte exhibits a better HA forming ability during hydrothermal treatment, attributing to the presence of HA powder in the electrolyte that effectively enhances both the Ca content and Ca/P ratio in the AOF. On the other hand, the adhesive strength was little affected due to the decrease in size of the craters residing in the AOF. With respect to the biological responses, not much difference in biocompatibility of the treated and untreated Ti-Nb surfaces was obtained. However, the anodized and hydrothermally treated surface promotes the attachment of cells.

  1. Electronic Properties of MoSi2-Type Hf2X Intermetallic Compounds (X=Pd, Ag, Cd)

    NASA Astrophysics Data System (ADS)

    Yaar, I.; Maytal-Beck, S.; Berant, Z.

    2001-11-01

    The Hf z coordinate and the value of the electric field gradient (efg) main component (V zz ), were calculated for three Hf2X compounds (X = Pd, Ag, Cd) on a first-principle basis, using the full potential linear augmented plane wave (LAPW) method. Exchange and correlation effects were treated either by the local spine density approximation (LSDA) or by the more advanced generalized gradient approximation (GGA). The calculated V zz values, in the Hf site, were in very good agreement with available 181Hf TDPAC experimental results.

  2. Near-zero thermal expansion of In2(1‑x)(HfMg) x Mo3O12 with tailored phase transition

    NASA Astrophysics Data System (ADS)

    Cheng, Yong-Guang; Mao, Yan-Chao; Liu, Xain-Sheng; Yuan, Bao-He; Chao, Ming-Ju; Liang, Er-Jun

    2016-08-01

    Solid solutions of In2(1‑x)(HfMg) x Mo3O12 are synthesized by solid state reaction with the aim to reduce the phase transition temperature of In2Mo3O12 and improve its thermal expansion property. The effects of (HfMg)6+ incorporation on the phase transition and thermal expansion are investigated. It is shown that the monoclinic-to-orthorhombic phase transition temperature obviously decreases and the coefficient of thermal expansion (CTE) of the orthorhombic becomes less negative and approaches to zero with increasing the content of (HfMg)6+. A near zero thermal expansion covering the case at room temperature (RT) is achieved for the solid solutions with x ≥ 0.85, implying potential applications of this material in many fields. Project supported by the National Natural Science Foundation of China (Grant Nos. 11574276, 51302249, and 51503185) and the Doctoral Fund of the Ministry of Education of China (Grant No. 20114101110003).

  3. The Effect of Aging Heat Treatment on the Microstructure and Mechanical Properties of 10Cr20Ni25Mo1.5NbN Austenitic Steel

    NASA Astrophysics Data System (ADS)

    Liang, Zhiyuan; Sha, Wanhua; Zhao, Qinxin; Wang, Chongbin; Wang, Jianyong; Jiang, Weiwei

    2016-01-01

    The effect of aging heat treatment on the microstructure and mechanical properties of 10Cr20Ni25Mo1.5NbN austenitic steel was investigated in this article. The microstructure was characterized by scanning electron microscopy, energy dispersive spectrometry and transmission electron microscopy. Results show that the microstructure of 10Cr20Ni25Mo1.5NbN austenitic is composed of austenite. This steel was strengthened by precipitates of secondary phases that were mainly M23C6 carbides and NbCrN nitrides. As aging treatment time increased, the tensile strength first rose (0-3,000 h) and then fell (3,000-5,000 h) due to the decrease of high density of dislocations. The impact absorbed energy decreased sharply, causing the sulfides to precipitate at the grain boundary. Therefore, the content of sulfur should be strictly controlled in the steelmaking process.

  4. Petrogenesis of the Yaochong granite and Mo deposit, Western Dabie orogen, eastern-central China: Constraints from zircon U-Pb and molybdenite Re-Os ages, whole-rock geochemistry and Sr-Nd-Pb-Hf isotopes

    NASA Astrophysics Data System (ADS)

    Chen, Wei; Xu, Zhaowen; Qiu, Wenhong; Li, Chao; Yu, Yang; Wang, Hao; Su, Yang

    2015-05-01

    The Dabie orogen is among the most famous continent-continent collisional orogenic belts in the world, and is characterized by intensive post-collisional extension, magmatism and Mo mineralization. However, the genetic links between the mineralization and the geodynamic evolution of the orogen remain unresolved. In this paper, the Yaochong Mo deposit and its associated granitic stocks were investigated to elucidate this issue. Our new zircon U-Pb ages yielded an Early Cretaceous age (133.3 ± 1.3 Ma) for the Yaochong granite, and our molybdenite Re-Os dating gave a similar age (135 ± 1 Ma) for the Mo deposit. The Yaochong stock is characterized by high silica and alkali but low Mg, Fe and Ca. It is enriched in light rare earth elements (LREEs) and large ion lithophile elements (LILEs: Rb, K, Th and U), but strongly depleted in heavy REEs, and high field strength elements (HFSEs: Nb, Ta, Ti and Y). The Yaochong granite has initial 87Sr/86Sr ratios of 0.7087-0.7096, and Pb isotopic ratios of (206Pb/204Pb)i = 16.599-16.704, (207Pb/204Pb)i = 15.170-15.618 and (208Pb/204Pb)i = 36.376-38.248. The granite has εNd(t) of -18.0 to -16.3 and εHf(t) values of -26.5 to -20.0. All these data indicate that the Yaochong granite is a high-K calc-alkaline fractionated I-type granite, and may have originated from partial melting of the thickened Yangtze continental crust. The Mo ores also show low radiogenic Pb isotopes similar to the Yaochong stock. Medium Re content in molybdenite (21.8-74.8 ppm) also suggests that the ore-forming materials were derived from the thickened lower crust with possibly minor mixing with the mantle. Similar to the Eastern Dabie orogen, the thickened crust beneath the Western Dabie orogen may also have experienced tectonic collapse, which may have exerted fundamental geodynamic controls on the two-stage Mo mineralization in the region.

  5. Flux line lattice in deformed superconductor Nb-Mo: Collective pinning and dielastic interaction with screw dislocations

    SciTech Connect

    Grigoryeva, I.V.; Vinnikov, L.Y.

    1989-01-01

    A detailed investigation of the flux line lattice (FLL) interaction with nonuniformly distributed, mainly screw dislocations in deformed Nb-Mo single crystals has been made using the high resolution technique of decorating a sample by small Fe particles. The interaction has been considered from the point of view both of elementary pinning force summation and of the particular pinning mechanism. The FLL has been observed to split into short-range order regions at a low dislocation density and to be amorphous at densities exceeding 10/sup 10/ cm/sup /minus/2/. The dimensions of these regions determine the critical current value in agreement with the collective pinning theory. The observed distribution of the flux lines has been shown to result from the dielastic /Delta/E-interaction of the dislocations with the FLL.

  6. Effect of aging temperature on the microstructures and mechanical properties of ZG12Cr9Mo1Co1NiVNbNB ferritic heat-resistant steel

    NASA Astrophysics Data System (ADS)

    Yang, Xue; Sun, Lan; Xiong, Ji; Zhou, Ping; Fan, Hong-yuan; Liu, Jian-yong

    2016-02-01

    The effect of aging on the mechanical properties and microstructures of a new ZG12Cr9Mo1Co1NiVNbNB ferritic heat resistant steel was investigated in this work to satisfy the high steam parameters of the ultra-supercritical power plant. The results show that the main precipitates during aging are Fe(Cr, Mo)23C6, V(Nb)C, and (Fe2Mo) Laves in the steel. The amounts of the precipitated phases increase during aging, and correspondingly, the morphologies of phases are similar to be round. Fe(Cr, Mo)23C6 appears along boundaries and grows with increasing temperature. In addition, it is revealed that the martensitic laths are coarsened and eventually happen to be polygonization. The hardness and strength decrease gradually, whereas the plasticity of the steel increases. What's more, the hardness of this steel after creep is similar to that of other 9%-12%Cr ferritic steels. Thus, ZG12Cr9Mo1Co1NiVNbNB can be used in the project.

  7. Radiation thermal processes in Cr13Mo2NbVB steel - the material of the fuel assembly shell in reactor BN-350 under mechanical tests

    NASA Astrophysics Data System (ADS)

    Larionov, A. S.; Dikov, A. S.; Poltavtseva, V. P.; Kislitsin, S. B.; Kuimova, M. V.; Chernyavskii, A. V.

    2015-04-01

    Regularities of changes of structural-phase state and mechanical properties of steel 13Mo2NbVB - the material of the fuel assembly shell in reactor BN-350 after various mechanical tests at 350°C are experimentally studied. The formation of microprecipitations FeMo, enriched or depleted with molybdenum was found in the short-time mechanical tests, which is the cause of thermal hardening of irradiated Cr13Mo2NbVB steel and its destruction by the ductile-brittle mechanism. On the basis of long-time creep tests it was shown that the material of the spent fuel assembly shell has sufficient resource for long-time storage in the temperature and force conditions simulating long-time storage of spent nuclear fuel.

  8. Evaluation of residual stresses in electron-beam welded Zr2.5Nb0.9Hf Zircadyne flange mock-up of a reflector vessel beam tube flange

    NASA Astrophysics Data System (ADS)

    Muránsky, O.; Holden, T. M.; Kirstein, O.; James, J. A.; Paradowska, A. M.; Edwards, L.

    2013-07-01

    The dual-phase alloy Zr2.5Nb alloy is an important nuclear material, because of its use in current and possible use in future nuclear reactors. It is, however, well-known that Zr2.5Nb weldments can fail through a time-dependent mechanism called delayed hydride cracking which is typically driven by the presence of tensile residual stresses. With a view to understanding the development of residual stresses associated with Zr2.5Nb welds the current study focuses on the evaluation of the residual stresses in a mock-up of a reactor beam tube flange made from Zr2.5Nb0.9Hf. The present results suggests that, like ferritic welds which undergo a solid-state phase transformation upon welding, Zr2.5Nb0.9Hf welds also develop high tensile residual stresses in the heat-affected zone whereas the stresses closer to the weld tip are reduced by the effects of the β → α solid-state phase transformation.

  9. Characterization of Interaction Layer in U-Mo-X (X = Nb, Zr) and U-Nb-Zr vs. Al Diffusion Couples Annealed at 600 Degrees C for 10 Hours

    SciTech Connect

    A. Ewh; E. Perez; D. D. Keiser, Jr.; Y. H. Sohn

    2011-04-01

    U-Mo has thus far proven to be one of the most feasible metallic fuel alloys for use in research and test reactors due to its high density and stability during irradiation. However, an adverse diffusional interaction can occur between the fuel alloy and the Al based matrix. This forms an interaction layer (IL) that has undesirable thermal properties and irradiation behavior leading to accelerated swelling and reduced fuel efficiency. This study focused on the effects of ternary alloying additions on the formation of IL between U based alloys and Al. Diffusion couples of U-8Mo-3Nb, U-7Mo-6Zr, and U-10Nb-4Zr (wt.%) vs. pure Al were assembled and annealed at 600 Degrees C for 10 hours. Both thickness and phase constituent analyses were performed via electron microscopy. The major phase constituent of the IL was determined to be the UAl3 intermetallic compound. The Nb and Zr alloying additions did not reduce growth rate of IL (1.3-1.4 {mu}m/sec1/2) as compared to couples made between binary U-Mo and Al (0.9-1.8 {mu}m/sec1/2).

  10. Effect of Composition and Deformation on Coarse-Grained Austenite Transformation in Nb-Mo Microalloyed Steels

    NASA Astrophysics Data System (ADS)

    Isasti, N.; Jorge-Badiola, D.; Taheri, M. L.; López, B.; Uranga, P.

    2011-12-01

    Thermomechanical processing of microalloyed steels containing niobium can be performed to obtain deformed austenite prior to transformation. Accelerated cooling can be employed to refine the final microstructure and, consequently, to improve both strength and toughness. This general rule is fulfilled if the transformation occurs on a quite homogeneous austenite microstructure. Nevertheless, the presence of coarse austenite grains before transformation in different industrial processes is a usual source of concern, and regarding toughness, the coarsest high-angle boundary units would determine its final value. Sets of deformation dilatometry tests were carried out using three 0.06 pct Nb microalloyed steels to evaluate the effect of Mo alloying additions (0, 0.16, and 0.31 pct Mo) on final transformation from both recrystallized and unrecrystallized coarse-grained austenite. Continuous cooling transformation (CCT) diagrams were created, and detailed microstructural characterization was achieved through the use of optical microscopy (OM), field emission gun scanning electron microscopy (FEGSEM), and electron backscattered diffraction (EBSD). The resultant microstructures ranged from polygonal ferrite (PF) and pearlite (P) at slow cooling ranges to bainitic ferrite (BF) accompanied by martensite (M) for fast cooling rates. Plastic deformation of the parent austenite accelerated both ferrite and bainite transformation, moving the CCT curves to higher temperatures and shorter times. However, an increase in the final heterogeneity was observed when BF packets were formed, creating coarse high-angle grain boundary units.

  11. Band alignment of HfO{sub 2}/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy: Effect of CHF{sub 3} treatment

    SciTech Connect

    Liu, Xinke; He, Jiazhu; Tang, Dan; Jia, Fang; Lu, Youming Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun; Liu, Qiang; Wen, Jiao; Yu, Wenjie; Pan, Jisheng; He, Zhubing; Ang, Kah-Wee

    2015-09-07

    The energy band alignment between HfO{sub 2}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The HfO{sub 2} was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 1.98 eV and a conduction band offset (CBO) of 2.72 eV were obtained for the HfO{sub 2}/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the HfO{sub 2}/ML-MoS{sub 2} interface were found to be 2.47 eV and 2.23 eV, respectively. The band alignment difference is believed to be dominated by the down-shift in the core level of Hf 4d and up-shift in the core level of Mo 3d, or the interface dipoles, which caused by the interfacial layer in rich of F.

  12. Investigation of (Ti-Zr-Hf-V-Nb)N Multicomponent Nanostructured Coatings before and after Thermal Annealing by Nuclear Physics Methods of Analysis

    NASA Astrophysics Data System (ADS)

    Pogrebnjak, A. D.; Beresnev, V. M.; Bondar', A. V.; Kaverin, M. V.; Ponomarev, A. G.

    2013-10-01

    (Ti-Zr-Hf-V-Nb)N multicomponent nanostructured coatings with thickness of 1.0-1.4 μm synthesized by the method of cathode arc-vapor deposition at temperatures of 250-300°С are investigated by various mutually complementary methods of elemental structural analysis using slow positron beams (SPB), proton microbeam based particle-induced x-ray emission (μ-PIXE), energy-dispersive x-ray spectroscopy (EDS) and scanning electron microscopy (SEM) analyses based on electron micro- and nanobeams, x-ray diffraction (XRD) method of phase structural analysis, and the "a-sin2φ" method of measuring a stressed-strained state (x-ray tensometry). The elemental composition, microstructure, residual stress in nanograins, profiles of defect and atom distributions with depth and over the coating surface in 3D-representation are studied for these coatings, and their phase composition, severely strained state, and composition of coatings before and after annealing at Tann = 600°С for annealing time τ = 30 min are investigated. It is demonstrated that the oxidation resistance of the examined coatings can be significantly increased by high-temperature annealing that leads to the formation of elastic severely strained compression state of the coating. Redistribution of elements and defects, their segregation near the interface boundaries and around grains and subgrains in the process of thermostimulated diffusion, and termination of spinodal segregation without considerable change of the average nanograin size are revealed.

  13. Resistive switching and electrical control of ferromagnetism in a Ag/HfO2/Nb:SrTiO3/Ag resistive random access memory (RRAM) device at room temperature

    NASA Astrophysics Data System (ADS)

    Ren, Shaoqing; Zhu, Gengchang; Xie, Jihao; Bu, Jianpei; Qin, Hongwei; Hu, Jifan

    2016-02-01

    Electrically induced resistive switching and modulated ferromagnetism are simultaneously found in a Ag/HfO2/Nb:SrTiO3/Ag resistive random access memory device at room temperature. The bipolar resistive switching (RS) can be controlled by the modification of a Schottky-like barrier with an electron injection-trapped/detrapped process at the interface of HfO2-Nb:SrTiO3. The multilevel RS transition can be observed in the reset process with larger negative voltage sweepings, which is connected to the different degree of electron detrapping in the interfacial depletion region of the HfO2 layer during the reset process. The origin of the electrical control of room-temperature ferromagnetism may be connected to the change of density of oxygen vacancies in the HfO2 film. The multilevel resistance states and the electric field controlled ferromagnetism have potential for applications in ultrahigh-density storage and magnetic logic device.

  14. Development and Oxidation Resistance of Plasma Sprayed Mo(Si,Al)2 Coating on Nbss/Nb5Si3 in Situ Composites

    NASA Astrophysics Data System (ADS)

    Yao, Dendzun; Wei, Haixia; Zhou, Chungen

    A Mo(Si,Al)2 coating is developed to protect Nbss/Nb5Si3 in situ composite by plasma spraying. The binary layers of this coating consist of an inner interdiffusion layer surrounded by Mo(Si,Al)2 layer with C40 crystal structure. After oxidation at 1250°C for 100h, Mo(Si,Al)2 coating exhibited an excellent protection against oxidation and good adherence to substrate. The oxidation curve followed parabolic law and even after oxidation at high temperature for 100h, the weight gain per unit area of Mo(Si,Al)2 coating is 8.24mg/cm2. No evident spalling of coating to substrate was observed but a continuous and compact layer of Al2O3 was formed on coating surface to prevent oxidation below coating and substrate.

  15. In Silico Design of Highly Selective Mo-V-Te-Nb-O Mixed Metal Oxide Catalysts for Ammoxidation and Oxidative Dehydrogenation of Propane and Ethane.

    PubMed

    Cheng, Mu-Jeng; Goddard, William A

    2015-10-21

    We used density functional theory quantum mechanics with periodic boundary conditions to determine the atomistic mechanism underlying catalytic activation of propane by the M1 phase of Mo-V-Nb-Te-O mixed metal oxides. We find that propane is activated by Te═O through our recently established reduction-coupled oxo activation mechanism. More importantly, we find that the C-H activation activity of Te═O is controlled by the distribution of nearby V atoms, leading to a range of activation barriers from 34 to 23 kcal/mol. On the basis of the new insight into this mechanism, we propose a synthesis strategy that we expect to form a much more selective single-phase Mo-V-Nb-Te-O catalyst. PMID:26423704

  16. Excellent red phosphors of double perovskite Ca{sub 2}LaMO{sub 6}:Eu (M=Sb, Nb, Ta) with distorted coordination environment

    SciTech Connect

    Yin Xin; Wang Yaoming; Huang Fuqiang; Xia Yujuan; Wan Dongyun; Yao Jiyong

    2011-12-15

    Double perovskite Ca{sub 2}LaSbO{sub 6}, successfully synthesized by solid state reaction method, was identified by Rietveld refinements to crystallize in the monoclinic space group P2{sub 1}/n, which is isostructural to Ca{sub 2}LaMO{sub 6} (M=Nb, Ta). Excellent red luminescence of Eu-doped Ca{sub 2}LaMO{sub 6} (M=Sb, Nb, Ta) can be obtained and no luminescence quenching effect was observed when Eu-doping level reached 40%. For Ca{sub 2}La{sub 0.6}NbO{sub 6}:0.4Eu{sup 3+}, quantum efficiencies of 20.9% and 27.7% were reached to show high light conversion and bright red emission excited at 465 nm (blue light) and 534 nm (green light), respectively, comparable to the commercial phosphors. Through systemic investigation for the series of double perovskite compounds, the excellent red emission in Ca{sub 2}LaMO{sub 6} is attributed to highly distorted polyhedra of EuO{sub 8} (low tolerance factor of the pervoskite), and large bond distances of La-O (low crystal field effect of the activator). - Graphical Abstract: Eu{sup 3+} doped double-perovskite compounds A{sub 2}LnMO{sub 6} (A=Ca, Sr, Ba; Ln=La, Gd, Y; M=Sb, Nb, Ta) show the dependence of luminescence intensity on the crystal structure. Highlights: Black-Right-Pointing-Pointer A series of double perovskite compounds were synthesized by solid state reaction. Black-Right-Pointing-Pointer Eu{sup 3+} doped samples display intense red emission when excited by blue or green light. Black-Right-Pointing-Pointer High quantum efficiency was obtained, comparable to the commercial phosphors. Black-Right-Pointing-Pointer Luminescence properties were ascribed to crystal distortion and large Ln-O distance.

  17. Differences and Commonalities in the Gas-Phase Reactions of Closed-Shell Metal Dioxide Clusters [MO2 ](+) (M=V, Nb, and Ta) with Methane.

    PubMed

    Zhou, Shaodong; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2016-05-17

    High-level electronic structure calculations, in combination with Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometric studies, permit the mechanism by which closed-shell, "naked" [TaO2 ](+) brings about C-H bond activation of methane to be revealed. These studies also help to understand why the lighter congeners of [MO2 ](+) (M=V, Nb) are unreactive under ambient conditions. PMID:27062433

  18. Micro-abrasion-corrosion behaviour of a biomedical Ti-25Nb-3Mo-3Zr-2Sn alloy in simulated physiological fluid.

    PubMed

    Wang, Zhenguo; Li, Yan; Huang, Weijiu; Chen, Xiaoli; He, Haoran

    2016-10-01

    The micro-abrasion-corrosion behaviour of the biomedical Ti-25Nb-3Mo-3Zr-2Sn alloy in Hank׳s solution with protein has been investigated using electrochemical measurements, tribological tests and scanning electron microscope (SEM) observations. The potentiodynamic polarization tests showed that the corrosion potential (Ecorr) exhibits the maximum value at the abrasive concentration of 0.05gcm(-3) despite of the load level. The tribological results indicated that the total material loss of the Ti-25Nb-3Mo-3Zr-2Sn alloy during micro-abrasion increased with the increasing abrasive concentration at a certain applied load. When the abrasive concentration is no more than 0.15gcm(-3), the total material loss increases with increasing load, while the total material loss exhibits the maximum value at a moderate load in case of higher abrasive concentration levels. This was ascribed to the three-body or two-body micro-abrasion-corrosion at different abrasive concentration levels. The wastage map, abrasion mode map and synergy map associated with the applied load and the abrasive concentration were constructed to evaluate the micro-abrasion-corrosion behaviour of the Ti-25Nb-3Mo-3Zr-2Sn alloy in potential biomedical applications. PMID:27450038

  19. Maximisation of the ratio of microhardness to the Young's modulus of Ti-12Mo-13Nb alloy through microstructure changes.

    PubMed

    Gabriel, Sinara B; de Almeida, Luiz H; Nunes, Carlos A; Dille, Jean; Soares, Glória A

    2013-08-01

    Alloys for orthopaedic and dentistry applications require high mechanical strength and a low Young's modulus to avoid stress shielding. Metastable β titanium alloys appear to fulfil these requirements. This study investigated the correlation of phases precipitated in a Ti-12Mo-13Nb alloy with changes in hardness and the Young's modulus. The alloy was produced by arc melting under an argon atmosphere, after which, it was heat treated and cold forged. Two different routes of heat treatment were employed. Phase transformations were studied by employing X-ray diffraction and transmission electron microscopy. Property characterisation was based on Vickers microhardness tests and Young's modulus measurements. The highest ratio of microhardness to the Young's modulus was obtained using thermomechanical treatment, which consists of heating at 1000°C for 24h, water quenching, cold forging to reduce 80% of the area, and ageing at 500°C for 24h, where the final microstructure consisted of an α phase dispersed in a β matrix. The α phase appeared in two different forms: as fine lamellas (with 240±100 nm length) and massive particles of 200-500 nm size. PMID:23706216

  20. Blister formation on 13Cr2MoNbVB ferritic-martensitic steel exposed to hydrogen plasma

    NASA Astrophysics Data System (ADS)

    Nikitin, A. V.; Tolstolutskaya, G. D.; Ruzhytskyi, V. V.; Voyevodin, V. N.; Kopanets, I. E.; Karpov, S. A.; Vasilenko, R. L.; Garner, F. A.

    2016-09-01

    The influence of pre-irradiation specimen deformation level on surface blister formation and sub-surface cracking of dual-phase 13Cr2MoNbVB ferritic-martensitic steel was studied using glow discharge hydrogen plasma with ion energy of 1 keV to fluences of 2 × 1025 H/m2. Protium was used for most studies, but deuterium was used for measuring the depth dependence of hydrogen diffusion. Formation of blisters was observed in the temperature range 230-340 K. It was found that pre-irradiation deformation caused changes in the threshold fluences of blister formation and also in blister size distribution. Subsurface cracks located on grain boundaries far beyond the implantation zone were formed concurrently with blisters, arising from hydrogen diffusion and trapping at defects. It was observed that cracks as long as 1 mm in length were formed in 95% deformed steel at depths up to 500 μm from surface.

  1. 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.

  2. 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

  3. Conformational distribution of baclofen analogues by 1H and 13C NMR analysis and ab initio HF MO STO-3G or STO-3G* calculations

    NASA Astrophysics Data System (ADS)

    Vaccher, Claude; Berthelot, Pascal; Debaert, Michel; Vermeersch, Gaston; Guyon, René; Pirard, Bernard; Vercauteren, Daniel P.; Dory, Magdalena; Evrard, Guy; Durant, François

    1993-12-01

    The conformations of 3-(substituted furan-2-yl) and 3-(substituted thien-2-yl)-γ-aminobutyric acid 1-9 in solution (D 2O) are estimated from high-resolution (300 MHz) 1H NMR coupling data. Conformations and populations of conformers are calculated by means of a modified Karplus-like relationship for the vicinal coupling constants. The results are compared with X-ray crystallographic investigations (torsion angles) and ab initio HF MO ST-3G or STO-3G* calculations. 1H NMR spectral analysis shows how 1-9 in solution retain the preferred g- conformation around the C3C4 bond, as found in the solid state, while a partial rotation is set up around the C2C3 bond: the conformations about C2C3 are all highly populated in solution. The 13C spin-lattice relaxation times are also discussed.

  4. Geological, geochronological, geochemical, and Sr-Nd-O-Hf isotopic constraints on origins of intrusions associated with the Baishan porphyry Mo deposit in eastern Tianshan, NW China

    NASA Astrophysics Data System (ADS)

    Wang, Yinhong; Xue, Chunji; Liu, Jiajun; Zhang, Fangfang

    2016-03-01

    The Baishan porphyry Mo deposit (0.72 Mt; 0.06 % Mo) is located in the interior of the eastern Tianshan orogenic belt in Xinjiang, NW China. The deposit comprises 15 orebodies that are associated with monzogranite and granite porphyry stocks and are structurally controlled by roughly EW-trending faults. Secondary ion mass spectrometry (SIMS) zircon U-Pb dating of the monzogranite and granite porphyry yielded the Middle Triassic age (228 ± 2 to 227 ± 2 Ma), which coincide with the molybdenite Re-Os model ages ranging from 226 ± 3 to 228 ± 3 Ma. The Triassic monzogranite and granite porphyry belong to high-K calc-alkaline series and are characterized by high SiO2 and Al2O3 and low MgO, TiO2, and P2O5 concentrations, with negative Eu anomalies (δEu = 0.55-0.91). The least-altered monzogranite and granite porphyry yield uniform ɛ Nd(t) values from +1.6 to +3.6, and wide (87Sr/86Sr) i ratios ranging between 0.7035 and 0.7071, indicating that they were derived from the lower crust. In situ O-Hf isotopic analyses on zircon using SIMS and laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) indicate that the δ18O and ɛ Hf(t) values of zircon from a monzogranite sample vary from 6.1 to 7.3 ‰ and +8.0 to +11.7, respectively, whereas zircon from a granite porphyry sample vary from 6.2 to 6.9 ‰ and +7.3 to +11.2, respectively. The geochemical and isotopic data imply that the primary magmas of the Baishan granite were likely derived from partial melts from the lower crust involving some mantle components. The Baishan Mo deposit and granitic emplacement were proposed to be most likely related to post-orogenic lithospheric extension and magmatic underplating. An extensional event coupled with the rising of hot mantle-derived melts triggered partial melting of the lower crust, as well as provided metals (Mo).

  5. Effects of ECAP and Aging on Mechanical and Superelastic Behaviors of Ti-Mo-Based and Ti-25at.%Nb SMAs

    NASA Astrophysics Data System (ADS)

    Song, Jie; Zhang, Xiaoning; Xie, Chaoying; Wang, Liming; Wu, M. H.

    2012-12-01

    Ni-free Ti-based shape memory alloys (SMAs) are increasingly recognized as promising functional materials for medical applications. The mechanical properties of these metastable Ti-based SMAs are sensitive to aging and thermomechanical treatment. Effects of severe plastic deformation (SPD)-equal channel angular pressing (ECAP) and aging on superelastic behavior of Ni-free Ti-based SMAs, Ti-9.8Mo-3.9Nb-2V-3.1Al wt.% (TMNVA) and Ti-25at.%Nb, have been investigated. The results show that the yielding strength of TMNVA alloy increases sharply with the number of ECAP processes—to greater than 1,400 MPa after two passes ECAP—but elongation of TMNVA alloy decreases severely and the plasticity is lost completely after two passes ECAP. Both ECAP process and flash annealing treatment have weak contribution to the superelastic recoverable strains of Ti-Mo-based alloy. For Ti-25at.%Nb alloy, after one pass ECAP process at 400 °C, the yielding stress increases obviously, and the recovery strain increases a little. With the further increase in the number of ECAP processes, the yielding stress and the recovery strain change little. Aging treatment at low temperature after ECAP process is in favor of superelasticity of Ti-25at.%Nb alloy. An almost completely recoverable strain of 1.5% is obtained in Ti-25at.%Nb alloy after two passes ECAP and aging at 300 °C for 1 h. The mechanisms of the effects of SPD and aging are also discussed.

  6. Operating experience with the heat-resistant material 15 NiCuMoNb 5 in conventional power plants

    SciTech Connect

    Adamsky, F.J.; Teichmann, H.; Tolksdorf, E.

    1998-07-01

    The forerunners of the material 15 NiCuMoNb 5 (WB 36), known as CuNi steels for boiler drums, allowed operating pressures to exceed 100 bar for the first time in the 30s, thereby creating the basis for power station to achieve high performance and efficiency levels. Even present day steel developments for the thick walled components used in nuclear technology have almost reached the level of this steel with regard to the high temperature limit of elasticity as a design value up to temperatures of 400 C, but have not exceeded it. In the mid-60s, extensive investigations were carried out into these materials following a few spectacular cases of serious damage, basically manifesting themselves in two ways: as cracks in the area of the downpipe bores and brittle fractures revealed by pressure testing. The cracks were recognized as stress/strain-induced corrosion and this was counteracted internally by improving the quality of the water, particularly with regard to its oxygen content. The inadequate toughness characteristics, responsible for the fractures occurring during the pressure test, were improved by specific alloying measures and in particular by reducing the sulphur content. Particular attention was paid to welding work. Reporting on operating experience means reporting the results of investigations into damage to components made from heat-resistant materials and providing a critical evaluation. A few examples are summarized below for this purpose. Some are current examples and others go back a few years, but are still the subject of discussion in the sector because of the fundamental knowledge to be gained from them.

  7. Re-Os molybdenite ages and zircon Hf isotopes of the Gangjiang porphyry Cu-Mo deposit in the Tibetan Orogen

    NASA Astrophysics Data System (ADS)

    Leng, Cheng-Biao; Zhang, Xing-Chun; Zhong, Hong; Hu, Rui-Zhong; Zhou, Wei-De; Li, Chao

    2013-06-01

    The Miocene porphyry Cu-(Mo) deposits in the Gangdese orogenic belt in southern Tibet were formed in a post-subduction collisional setting. They are closely related to the Miocene adakite-like porphyries which were probably derived from a thickened basaltic lower crust. Furthermore, mantle components have been considered to have played a crucial role in formation of these porphyry deposits (Hou et al. Ore Geol Rev 36: 25-51, 2009; Miner Deposita doi:10.1007/s00126-012-0415-6, 2012). In this study, we present zircon Hf isotopes and molybdenite Re-Os ages on the newly discovered Gangjiang porphyry Cu-Mo deposit in southern Tibet to constrain the magma source of the intrusions and the timing of mineralization. The Gangjiang porphyry Cu-Mo deposit is located in the Nimu ore field in the central Gangdese porphyry deposits belt, southern Tibet. The copper and molybdenum mineralization occur mainly as disseminations and veins in the overlapped part of the potassic and phyllic alteration zones, and are predominantly hosted in the quartz monzonite stock and in contact with the rhyodacite porphyry stock. SIMS zircon U-Pb dating of the pre-mineral quartz monzonite stock and late intra-mineral rhyodacite porphyry yielded ages of 14.73 ± 0.13 Ma (2 σ) and 12.01 ± 0.29 Ma (2 σ), respectively. These results indicate that the magmatism could have lasted as long as about 2.7 Ma for the Gangjiang deposit. The newly obtained Re-Os model ages vary from 12.51 ± 0.19 Ma (2 σ) to 12.85 ± 0.18 Ma (2 σ) for four molybdenite samples. These Re-Os ages are roughly coincident with the rhyodacite porphyry U-Pb zircon age, and indicate a relatively short-lived episode of ore deposition (ca. 0.3 Ma). In situ Hf isotopic analyses on zircons by using LA-MC-ICP-MS indicate that the ɛ Hf( t) values of zircons from a quartz monzonite sample vary from +2.25 to +4.57 with an average of +3.33, while zircons from a rhyodacite porphyry sample vary from +5.53 to +7.81 with an average of +6.64. The

  8. Effect of the conditions of preparing mixed oxide catalyst of Mo-V-Te-Nb-O composition on its activity in the oxidative dehydrogenation of ethane

    NASA Astrophysics Data System (ADS)

    Finashina, E. D.; Kucherov, A. V.; Kustov, L. M.

    2013-12-01

    It is shown that catalytic activity of mixed oxide catalyst of Mo-V-Te-Nb-O composition in oxidative dehydrogenation (OD) of ethane is determined to a substantial degree by the Nb-to-(C2O4)2- ratio in niobium-containing precursors. A pH value of 2.8 to 3.0 for a mixture is optimal when conducting the hydrothermal synthesis of a mixed oxide catalyst; this is achieved by using oxaloniobic acid as a niobium-containing precursor. It is determined that substituting antimony for tellurium results in a loss of catalyst activity during the OD of ethane. The optimum Te content in a catalyst is 0.17 mol %.

  9. An investigation of the fatigue and fracture behavior of a Nb-12Al-44Ti-1.5Mo intermetallic alloy

    SciTech Connect

    Soboyejo, W.O.; Dipasquale, J.; Ye, F.; Mercer, C.; Srivatsan, T.S.; Konitzer, D.G.

    1999-04-01

    This article presents the results of a study of the fatigue and fracture behavior of a damage-tolerant Nb-12Al-44Ti-1.5Mo alloy. This partially ordered B2 + orthorhombic intermetallic alloy is shown to have attractive combinations of room-temperature ductility (11 to 14 pct), fracture toughness (60 to 92 MPa{radical}m), and comparable fatigue crack growth resistance to IN718, Ti-6Al-4V, and pure Nb at room temperature. The studies show that tensile deformation in the Nb-12Al-44Ti-1.5Mo alloy involves localized plastic deformation (microplasticity via slip-band formation) which initiates at stress levels that are significantly below the uniaxial yield stress ({approximately}9.6 pct of the 0.2 pct offset yield strength (YS)). The onset of bulk yielding is shown to correspond to the spread of microplasticity completely across the gage sections of the tensile specimen. Fatigue crack initiation is also postulated to occur by the accumulation of microplasticity (coarsening of slip bands). Subsequent fatigue crack growth then occurs by the unzipping of cracks along slip bands that form ahead of the dominant crack tip. The proposed mechanism of fatigue crack growth is analogous to the unzipping crack growth mechanism that was suggested originally by Neumann for crack growth in single-crystal copper. Slower near-threshold fatigue crack growth rates at 750 C are attributed to the shielding effects of oxide-induced crack closure. The fatigue and fracture behavior are also compared to those of pure Nb and emerging high-temperature niobium-based intermetallics.

  10. 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.

  11. Na[subscript 1.5]Ag[subscript 1.5]MO[subscript 3]F[subscript 3] (M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO[subscript 3] Structure

    SciTech Connect

    Fry, Allyson M.; Seibel, II, Harry A.; Lokuhewa, Indunil N.; Woodward, Patrick M.

    2012-04-02

    Na{sub 1.5}Ag{sub 1.5}MoO{sub 3}F{sub 3} and Na{sub 1.5}Ag{sub 1.5}WO{sub 3}F{sub 3} have been synthesized by solid state reactions and structurally characterized using synchrotron X-ray and neutron powder diffraction. Unlike the vast majority of salts containing [MO{sub 3}F{sub 3}]{sup 3-} anions (M = Mo, W) the oxyfluoride groups in Na{sub 1.5}Ag{sub 1.5}MoO{sub 3}F{sub 3} and Na{sub 1.5}Ag{sub 1.5}WO{sub 3}F{sub 3} are orientationally ordered, so that the Na{sup +} ions are coordinated by fluorine and the Ag{sup +} ions by oxygen. The resulting structure type, which has not previously been reported, is related to the LiNbO{sub 3} structure, but the combination of Na/Ag ordering and orientational ordering of the [MO{sub 3}F{sub 3}]{sup 3-} anions produces a supercell that doubles the c-axis and changes the space group symmetry from R3 to R{bar 3}. The use of hard (Na{sup +}) and soft (Ag{sup +}) cations to direct the orientational ordering of polar oxyfluoride building units provides a new approach to the design of polar materials.

  12. Partitioning of Nb, Mo, Ba, Ce, Pb, Th and U between immiscible carbonate and silicate liquids: Evaluating the effects of P2O5,F, and carbonate composition

    NASA Technical Reports Server (NTRS)

    Jones, J. H.; Walker, D.

    1993-01-01

    Previously we have reported carbonate liq./silicate liq. partition coefficients (D) for a standard suite of trace elements (Nb, Mo, Ba, Ce, Pb, Th, and U) and Ra and Pa as well. In brief, we have found that immiscible liquid partitioning is a strong function of temperature. As the critical temperature of the carbonate-silicate solvus is approached, all partition coefficients approach unity. Additionally, for the overwhelming majority of the partitioning elements, InD is a linear function of 'ionic field strength,' z/r, where z is the charge of the partitioned cation and r is its ionic radius.

  13. Sub-barrier one- and two-neutron pickup measurements in {sup 32}S+{sup 93}Nb, {sup 98,100}Mo reactions at 180{degrees}

    SciTech Connect

    Roberts, R.B.; Gazes, S.B.; Mason, J.E.

    1993-04-01

    Excitation functions for sub-barrier one- and two-neutron pickup reactions were measured for E{sub lab}{le}106 MeV in {sup 32}S+{sup 93}Nb, {sup 98,100}Mo systems by detecting target-like recoils at 0{degrees} using a recoil mass spectrometer. Measured differential cross sections are compared to those predicted by the DWBA code PTOLEMY. The slopes of transfer probability versus distance of closest approach, are in good agreement with the slopes obtained from binding energies, indicating the absence of a {open_quotes}slope anomaly.{close_quotes} Angle-integrated transfer cross sections derived from measured 180{degrees} yields correlate with fusion enhancements in previously measured fusion yields for the {sup 32}S+{sup 98,100}Mo systems.

  14. 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. PMID:24753631

  15. Deactivation of a mixed oxide catalyst of Mo-V-Te-Nb-O composition in the reaction of oxidative ethane dehydrogenation

    NASA Astrophysics Data System (ADS)

    Mishanin, I. I.; Kalenchuk, A. N.; Maslakov, K. I.; Lunin, V. V.; Koklin, A. E.; Finashina, E. D.; Bogdan, V. I.

    2016-06-01

    The operational stability of a mixed oxide catalyst of Mo-V-Te-Nb-O composition in the oxidative dehydrogenation of ethane (ratio of C2H6: O2 = 3: 1) is studied in a flow reactor at temperatures of 340-400°C, a pressure of 1 atm, and a WHSV of the feed mixture of 800 h-1. It is found that the selectivity toward ethylene is 98% at 340°C, but the conversion of ethane at this temperature is only 6%; when the temperature is raised to 400°C, the conversion of ethane is increased to 37%, while the selectivity toward ethylene is reduced to 85%. Using physical and chemical means (XPS, SEM), it is found that the lack of oxidant in the reaction mixture leads to irreversible changes in the catalyst, i.e., reduced selectivity and activity. Raising the reaction temperature to 400°C allows the reduction of tellurium by ethane, from the +6 oxidation state to the zerovalent state, with its subsequent sublimation and the destruction of the catalytically active and selective phase; in its characteristics, the catalyst becomes similar to the Mo-V-Nb-O system containing no tellurium.

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

    PubMed Central

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

    2014-01-01

    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−xCux)5Fe0.54−yMy (x = 0.1–0.5, y = 0–0.43, M = Zr, V, Nb, Mo, Ta). For compositions of Sm(Co1−xCux)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. PMID:24753631

  17. Investigation of Trimetallic Ligand-Pillared Oxyfluorides: Ag2Cu(pzc)2MOxF6-x (M = Mo, Nb, and W)

    SciTech Connect

    Lin, Haisheng; Maggard, Paul A.

    2011-06-12

    Three new ligand-pillared hybrid solids, Ag₂Cu(pzc)₂MOx F6-x (I, M = Mo, x = 2; II, M = W, x = 2; III, M = Nb, x = 1) (pzc = pyrazine-2-carboxylate) were synthesized via hydrothermal reactions at 150 °C, and their structures were determined by single-crystal X-ray diffraction (P2₁/n (No. 14), Z = 2; a = 7.2302(1), 7.2124(2), 7.2715(2) Å; b = 7.9460(1), 7.9270(2), 7.98436(3) Å; c = 13.9173(2), 13.8959(4), 13.8226(5) Å, for I, II, and III, respectively). All three are isostructural and contain unusual trimetallic (Ag₂CuMOx F6-x )2+ layers that consist of [Ag₂O₂F₂]n and [CuMOx F6-x ]n chains that alternate within the layers. Each structure also contains [MOx F6-x ]2- octahedra with fully disordered O/F positions and with an inversion center on the M{sup n+} sites, i.e., Mo6+, W6+ and Nb5+. Magnetic susceptibility measurements can be fitted to the Curie–Weiss law with a Curie constant consistent with a single non-interacting Cu(II) (S = ½) site per formula unit. Thermogravimetric analyses indicate that these hybrid compounds are stable up to ~280 °C, with each exhibiting a single weight-loss step beginning at ~300 °C that corresponds to the loss of all pyrazine-2-carboxylate ligands and additional O/F atoms via oxidation of the ligand during its removal. UV–Vis diffuse reflectance measurements show that each exhibits an optical bandgap size of ~2.8 eV, and which electronic-structure calculations show arise from excitations between the Cu(II)-based valence orbitals and the M 5+/6+-based conduction band orbitals.

  18. Measurement of isomeric ratios for 89g,mZr, 91g,mMo, and 97g,mNb in the bremsstrahlung end-point energies of 16 and 45-70 MeV

    NASA Astrophysics Data System (ADS)

    Naik, H.; Kim, G. N.; Schwengner, R.; Kim, K.; Zaman, M.; Yang, S. C.; Shin, S. G.; Kye, Y.-U.; Massarczyk, R.; John, R.; Junghans, A.; Wagner, A.; Goswami, A.; Cho, M.-H.

    2016-03-01

    The independent isomeric yield ratios of 89g,mZr from the natZr(γ,xn) reactions and those of 91g, mMo and 97g,mNb from the natMo(γ,x) reactions with the bremsstrahlung end-point energy of 45-70 MeV were determined by an off-line γ-ray spectrometric technique using the 100 MeV electron linac at the Pohang Accelerator Laboratory, Korea. The isomeric yield ratios of 89g,mZr and 97g,mNb from the natZr(γ, xn) and natMo(γ,x) reactions at the bremsstrahlung end-point energy of 16MeV were also determined by the same technique using the 20MeV electron linac at Helmholtz-Zentrum Dresden-Rossendorf, Germany. The measured isomeric yield ratios of 89g,mZr, 91g,mMo, and 97g,mNb were compared with literature data to examine the role of the Giant Dipole Resonance (GDR). The isomeric yield ratios of the 89g,mZr, 91g,mMo, and 97g,mNb from the above reactions were also calculated by using the computer code TALYS 1.6 and compared with the experimental data to examine the validity of the theoretical model for independent isomeric yield ratio calculations.

  19. Development of the local and average structure of a V-Mo-Nb oxide catalyst with Mo5O14-like structure during synthesis from nanostructured precursors

    SciTech Connect

    Kardash, Tatyana Yu; Plyasova, Ludmilla M; Kochubey, Dmitry I; Bondareva, Valentina M; Neder, Reinhard B

    2012-05-29

    A combination of X-ray and neutron PDF measurements with powder diffraction and EXAFS data was used to determine the structures of a V-Mo-Nb-oxide catalyst and its poorly crystallized precursors that exhibit the strongest catalytic activities. The crystalline material belongs to space group P-4 21m, a = 22.8, c = 4.002, and is build up of pentagonal MeO7 bipyramids surrounded by edge sharing Me-octahedrons (Me = Mo, V, Nb). In the average structure all MeO7 units are at the same z-level, while the local structure analysis shows systematic shifts along [001]. Samples synthesized at 300 °C and 400 °C exhibit a nanostructure, whose local structure predates the final crystalline structure. Initial nanoparticles are spherical and grow predominantly along the c-axis. The successful analysis required a reverse analysis that took the crystalline material as starting model for the samples synthesized at lower temperatures.

  20. Scalable fabrication of a hybrid field-effect and acousto-electric device by direct growth of monolayer MoS2/LiNbO3.

    PubMed

    Preciado, Edwin; Schülein, Florian J R; Nguyen, Ariana E; Barroso, David; Isarraraz, Miguel; von Son, Gretel; Lu, I-Hsi; Michailow, Wladislaw; Möller, Benjamin; Klee, Velveth; Mann, John; Wixforth, Achim; Bartels, Ludwig; Krenner, Hubert J

    2015-01-01

    Lithium niobate is the archetypical ferroelectric material and the substrate of choice for numerous applications including surface acoustic wave radio frequencies devices and integrated optics. It offers a unique combination of substantial piezoelectric and birefringent properties, yet its lack of optical activity and semiconducting transport hamper application in optoelectronics. Here we fabricate and characterize a hybrid MoS2/LiNbO3 acousto-electric device via a scalable route that uses millimetre-scale direct chemical vapour deposition of MoS2 followed by lithographic definition of a field-effect transistor structure on top. The prototypical device exhibits electrical characteristics competitive with MoS2 devices on silicon. Surface acoustic waves excited on the substrate can manipulate and probe the electrical transport in the monolayer device in a contact-free manner. We realize both a sound-driven battery and an acoustic photodetector. Our findings open directions to non-invasive investigation of electrical properties of monolayer films. PMID:26493867

  1. Scalable fabrication of a hybrid field-effect and acousto-electric device by direct growth of monolayer MoS2/LiNbO3

    NASA Astrophysics Data System (ADS)

    Preciado, Edwin; Schülein, Florian J. R.; Nguyen, Ariana E.; Barroso, David; Isarraraz, Miguel; von Son, Gretel; Lu, I.-Hsi; Michailow, Wladislaw; Möller, Benjamin; Klee, Velveth; Mann, John; Wixforth, Achim; Bartels, Ludwig; Krenner, Hubert J.

    2015-10-01

    Lithium niobate is the archetypical ferroelectric material and the substrate of choice for numerous applications including surface acoustic wave radio frequencies devices and integrated optics. It offers a unique combination of substantial piezoelectric and birefringent properties, yet its lack of optical activity and semiconducting transport hamper application in optoelectronics. Here we fabricate and characterize a hybrid MoS2/LiNbO3 acousto-electric device via a scalable route that uses millimetre-scale direct chemical vapour deposition of MoS2 followed by lithographic definition of a field-effect transistor structure on top. The prototypical device exhibits electrical characteristics competitive with MoS2 devices on silicon. Surface acoustic waves excited on the substrate can manipulate and probe the electrical transport in the monolayer device in a contact-free manner. We realize both a sound-driven battery and an acoustic photodetector. Our findings open directions to non-invasive investigation of electrical properties of monolayer films.

  2. Scalable fabrication of a hybrid field-effect and acousto-electric device by direct growth of monolayer MoS2/LiNbO3

    PubMed Central

    Preciado, Edwin; Schülein, Florian J.R.; Nguyen, Ariana E.; Barroso, David; Isarraraz, Miguel; von Son, Gretel; Lu, I-Hsi; Michailow, Wladislaw; Möller, Benjamin; Klee, Velveth; Mann, John; Wixforth, Achim; Bartels, Ludwig; Krenner, Hubert J.

    2015-01-01

    Lithium niobate is the archetypical ferroelectric material and the substrate of choice for numerous applications including surface acoustic wave radio frequencies devices and integrated optics. It offers a unique combination of substantial piezoelectric and birefringent properties, yet its lack of optical activity and semiconducting transport hamper application in optoelectronics. Here we fabricate and characterize a hybrid MoS2/LiNbO3 acousto-electric device via a scalable route that uses millimetre-scale direct chemical vapour deposition of MoS2 followed by lithographic definition of a field-effect transistor structure on top. The prototypical device exhibits electrical characteristics competitive with MoS2 devices on silicon. Surface acoustic waves excited on the substrate can manipulate and probe the electrical transport in the monolayer device in a contact-free manner. We realize both a sound-driven battery and an acoustic photodetector. Our findings open directions to non-invasive investigation of electrical properties of monolayer films. PMID:26493867

  3. Adsorption of propane, isopropyl, and hydrogen on cluster models of the M1 phase of Mo-V-Te-Nb-O mixed metal oxide catalyst

    SciTech Connect

    Govindasamy, Agalya; Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2010-01-01

    The Mo-V-Te-Nb-O mixed metal oxide catalyst possessing the M1 phase structure is uniquely capable of directly converting propane into acrylonitrile. However, the mechanism of this complex eight-electron transformation, which includes a series of oxidative H-abstraction and N-insertion steps, remains poorly understood. We have conducted a density functional theory study of cluster models of the proposed active and selective site for propane ammoxidation, including the adsorption of propane, isopropyl (CH{sub 3}CHCH{sub 3}), and H which are involved in the first step of this transformation, that is, the methylene C-H bond scission in propane, on these active site models. Among the surface oxygen species, the telluryl oxo (Te=O) is found to be the most nucleophilic. Whereas the adsorption of propane is weak regardless of the MO{sub x} species involved, isopropyl and H adsorption exhibits strong preference in the order of Te=O > V=O > bridging oxygens > empty Mo apical site, suggesting the importance of TeO{sub x} species for H abstraction. The adsorption energies of isopropyl and H and consequently the reaction energy of the initial dehydrogenation of propane are strongly dependent on the number of ab planes included in the cluster, which points to the need to employ multilayer cluster models to correctly capture the energetics of surface chemistry on this mixed metal oxide catalyst.

  4. Formation of TiO2 layers on commercially pure Ti and Ti-Mo and Ti-Nb alloys by two-step thermal oxidation and their photocatalytic activity

    NASA Astrophysics Data System (ADS)

    Sado, Shota; Ueda, Takatoshi; Ueda, Kyosuke; Narushima, Takayuki

    2015-12-01

    Anatase-containing TiO2 layers were formed on commercially pure (CP) Ti and Ti-25mass%Mo (Ti-25Mo) and Ti-25mass%Nb (Ti-25Nb) alloys by two-step thermal oxidation. The first-step treatment was conducted in an Ar-1%CO atmosphere at 1073 K for 3.6 ks, and the second-step treatment was conducted in air at 673-1073 K for 10.8 ks. The second-step temperature range for anatase formation was wider in the Ti alloys than in CP Ti. Photo-induced superhydrophilicity under UV irradiation was observed for the TiO2 layers with anatase fractions ≥0.6 on CP Ti and the Ti-25Mo alloy, and with anatase fractions ≥0.18 on the Ti-25Nb alloy. The TiO2 layers on the Ti-25Nb alloy exhibited excellent photocatalytic activity in the low anatase fraction region, which is considered to be caused by the incorporation of 1-3 at% Nb into the TiO2 layers. The rate constant of methylene blue degradation showed maxima at anatase fractions of 0.6-0.9.

  5. Structure and electrical properties of Al-doped HfO₂ and ZrO₂ films grown via atomic layer deposition on Mo electrodes.

    PubMed

    Yoo, Yeon Woo; Jeon, Woojin; Lee, Woongkyu; An, Cheol Hyun; Kim, Seong Keun; Hwang, Cheol Seong

    2014-12-24

    The effects of Al doping in atomic-layer-deposited HfO2 (AHO) and ZrO2 (AZO) films on the evolutions of their crystallographic phases, grain sizes, and electric properties, such as their dielectric constants and leakage current densities, were examined for their applications in high-voltage devices. The film thickness and Al-doping concentration were varied in the ranges of 60-75 nm and 0.5-9.7%, respectively, for AHO and 55-90 nm and 1.0-10.3%, respectively, for AZO. The top and bottom electrodes were sputtered Mo films. The detailed structural and electrical property variations were examined as functions of the Al concentration and film thickness. The AHO films showed a transition from the monoclinic phase (Al concentration up to 1.4%) to the tetragonal/cubic phase (Al concentration 2.0-3.5%), and finally, to the amorphous phase (Al concentration >4.7%), whereas the AZO films remained in the tetragonal/cubic phase up to the Al concentration of 6.4%. For both the AHO and AZO films, the monoclinic and amorphous phases had dielectric constants of 20-25, and the tetragonal/cubic phases had dielectric constants of 30-35. The highest electrical performance levels for the application to the high-voltage charge storage capacitors in flat panel displays were achieved with the 4.7-9.7% Al-doped AHO films and the 2.6% Al-doped AZO films. PMID:25423483

  6. Phase transformation of "chem-prep" PZT 95/5-2Nb HF1035 ceramic under quasi-static loading conditions.

    SciTech Connect

    Montgomery, Stephen Tedford; Lee, Moo Yul; Meier, Diane A.; Hofer, John H.

    2006-07-01

    Specimens of poled and unpoled ''chem-prep'' PNZT ceramic from batch HF1035 were tested under hydrostatic, uniaxial, and constant stress difference loading conditions at -55, 25, and 75 C. The objective of this experimental study was to characterize the mechanical properties and conditions for the ferroelectric (FE) to antiferroelectric (AFE) phase transformations of this ''chem-prep'' PNZT ceramic to aid grain-scale modeling efforts in developing and testing realistic response models for use in simulation codes. As seen from a previously characterized material (batch HF803), poled ceramic from HF1035 was seen to undergo anisotropic deformation during the transition from a FE to an AFE phase. Also, the phase transformation was found to be permanent for the two low temperature conditions, whereas the transformation can be completely reversed at the highest temperature. The rates of increase in the phase transformation pressures with temperature were practically identical for both unpoled and poled PNZT HF1035 specimens. We observed that temperature spread the phase transformation over mean stress analogous to the observed spread over mean stress due to shear stress. Additionally, for poled ceramic samples, the FE to AFE phase transformation was seen to occur when the normal compressive stress, acting perpendicular to a crystallographic plane about the polar axis, equals the hydrostatic pressure at which the transformation otherwise takes place.

  7. Fast UV-Vis photorefractive response of Zr and Mg codoped LiNbO3:Mo.

    PubMed

    Tian, Tian; Kong, Yongfa; Liu, Shiguo; Li, Wei; Chen, Shaolin; Rupp, Romano; Xu, Jingjun

    2013-05-01

    A series of LN:Mo,Zr and LN:Mo,Mg crystals with different doping concentrations were grown and their holographic properties were investigated from UV to the visible range. Each crystal allows for holographic storage from UV to the visible as LN:Mo. When the concentration of MgO is enhanced to 6.5 mol%, the response time can be dramatically shortened to 0.22 s, 0.33 s, 0.37 s and 1.2 s for 351, 488, 532, and 671 nm laser, respectively. The results show that LN:Mo,Mg is a promising candidate for all-color holographic volume storage with fast response. PMID:23669902

  8. Elevated temperature flow strength, creep resistance and diffusion welding characteristics of Ti-6Al-2Nb-1Ta-0.8Mo

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. D.; Moore, T. J.

    1979-01-01

    A study of the flow strength, creep resistance and diffusion welding characteristics of the titanium alloy Ti-6Al-2Nb-1Ta-0.8Mo has been conducted. Two mill-processed forms of this alloy were examined. The forged material had been processed above the beta transus (approximately 1275 K) while the rolled form had been subjected to work below the beta transus. Between 1150 and 1250 K, the forged material was stronger and more creep resistant than the rolled alloy. Both forms exhibit superplastic characteristics in this temperature range. Strain measurements during diffusion welding experiments at 1200 K reveal that weld interfaces have no measurable effect on the overall creep deformation. Significant deformation appears to be necessary to produce a quality diffusion weld between superplastic materials. A 'soft' interlayer inserted between faying surfaces would seemingly allow manufacture of quality diffusion welds with little overall deformation.

  9. Study of the phase composition of silicide coatings, based on layered Nb-Mo structures, obtained by vacuum-arc deposition

    NASA Astrophysics Data System (ADS)

    Lozovan, A. A.; Betsofen, S. Ya; Lenkovets, A. S.

    2016-07-01

    A multilayer composite ∼1000 μm in thickness, formed by niobium and molybdenum layers (number of layers n = 230), is obtained by vacuum-arc deposition with subsequent siliconization of the surface layers at a temperature of 1200 °C. Layer-by-layer phase analysis is performed by X-ray diffraction and scanning electron microscopy. It is found that in the surface layers ∼130 μm in thickness, single-phase silicides (Nb x Mo1- x )Si2 are formed with the hexagonal C40 structure (Strukturbericht designations). Alternating layers of solid solutions based on niobium and molybdenum with a body-centered cubic (BCC) lattice are observed within the composite. The formation of solid solutions caused by heating of the coating leads to convergence of the values of the linear thermal expansion coefficient and Young's modulus at the interface between the layers.

  10. Elevated-temperature flow strength, creep resistance and diffusion welding characteristics of Ti-gAl-2Nb-1Ta-0.8Mo

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. D.; Moore, T. J.

    1977-01-01

    A study of the flow strength, creep resistance and diffusion welding characteristics of the titanium alloy Ti-6Al-2Nb-1Ta-0.8Mo was conducted. Two mill-processed forms of this alloy were examined. The forged material was essentially processed above the beta transus while the rolled form was subjected to considerable work below the beta transus. Between 1150 and 1250 K, the forged material was stronger and more creep resistant than the rolled alloy. Both forms exhibit superplastic characteristics in this temperature range. Strain measurements during diffusion welding experiments at 1200 K reveal that weld interfaces have no measurable effect on the overall creep deformation. Significant deformation appears to be necessary to produce a quality diffusion weld between superplastic materials. A 'soft' interlayer inserted between faying surfaces would seemingly allow manufacture of quality diffusion welds with little overall deformation.

  11. First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe

    NASA Astrophysics Data System (ADS)

    Dezerald, L.; Proville, L.; Ventelon, Lisa; Willaime, F.; Rodney, D.

    2015-03-01

    The atomistic study of kink pairs on screw dislocations in body-centered cubic (bcc) metals is challenging because interatomic potentials in bcc metals still lack accuracy and kink pairs require too many atoms to be modeled by first principles. Here, we circumvent this difficulty using a one-dimensional line tension model whose parameters, namely the line tension and Peierls barrier, are reachable to density functional theory calculations. The model parameterized in V, Nb, Ta, Mo, W, and Fe, is used to study the kink-pair activation enthalpy and spatial extension. Interestingly, we find that the atomistic line tension is more than twice the usual elastic estimates. The calculations also show interesting group tendencies with the line tension and kink-pair width larger in group V than in group VI elements. Finally, the present kink-pair activation energies are shown to compare qualitatively with experimental data and potential origins of quantitative discrepancies are discussed.

  12. 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.

  13. Effect of micro-alloy elements (Ti, Nb, Al and Ca) on corrosion resistance of 26%Cr-2%Mo stainless steel in chloride solutions

    SciTech Connect

    Kim, H.; Lee, Y.D.

    1999-11-01

    Ferritic stainless steels have higher corrosion and stress corrosion cracking resistance in chloride environments than austenitic stainless steels. The production mat of ferritic stainless steels is lower than austenitic stainless steels. However, the application of highly alloyed ferritic stainless steels is limited due to low toughness and intergranular corrosion attack. Corrosion resistance of 26%Cr-2%Mo ferritic steels was evaluated using polarization test in 20% NaCl solution and the ferric chloride test. In addition, TEM and SEM were employed to analyze the secondary phases around the matrix where pitting corrosion occurred. In ferric chloride test the crevice corrosion resistance of non-stabilized alloy and Ca added alloy was lower than that of stabilized alloy and the crevice corrosion resistance of stabilized alloys was independent of stabilizing element such as Ti and Nb. The pitting corrosion resistance in chloride solution depended on micro-alloying elements as well as the surface treatment such as pickling and polishing. The effect of micro-alloy element and surface treatment on corrosion properties was explained with the aid of SEM observations. Among the polished alloys, the addition of Nb was the most effective for pitting corrosion resistance but the addition of Ti or Ca decreased the corrosion resistance. The pickling increased the corrosion resistance in all alloys except alloy No. 4 (Ti + Nb + Al). Pickling effectively increased corrosion resistance of the alloy containing Ti or Ca, due to removal of pit initiation sites associated with TiN inclusions or unstable phase (i.e., CaS, TiN).

  14. Electrochromic properties of Nb2O5 and Nb2O5:X sol-gel coatings (X=Sn, Zr, Li, Ti, Mo)

    NASA Astrophysics Data System (ADS)

    Schmitt, Mike; Aegerter, Michel A.

    1999-10-01

    Two-layer coatings of Nb2O5 and niobia doped with tin (up to 15 at%), zirconium (up to 15 at%), lithium (up to 15 at%), titanium (up to 30 at%) and molybdenum (up to 30 at%) have been prepared by the sol-gel process and deposited by dip-coating on conductive ITO coated glass (R(open square) equals 10 (Omega) (open square)). They have been sintered in air between 450 degree(s)C and 600 degree(s)C. Their structure, morphology, electrochemical and optical properties (measured in a liquid electrolyte (1 M LiClO4 in PC)) are reported. All systems exhibit electrochromic properties. Those are essentially determined by the structure and the morphology of the layers which can be changed in a controlled manner by the amount of doping and the sintering temperature. After Li+-insertion all amorphous coatings present a brown color, a blue one when the structure is hexagonal and a gray one when the structure is orthorhombic (pure, titanium or molybdenum doped niobia) or monoclinic (Li-doped niobia). Samples with two different structures color either blue or gray.

  15. Microstructure of a complex Nb-Si-based alloy and its behavior during high-temperature oxidation

    NASA Astrophysics Data System (ADS)

    Leont'ev, L. I.; Udoeva, L. Yu.; Chumarev, V. M.; Gulyaeva, R. I.; Pankratov, A. A.; Sel'menskikh, N. I.; Zhidovinova, S. V.

    2016-01-01

    A in-situ composite Nb-Si-Ti-Hf-Cr-Mo-Al composite material alloyed with yttrium and zirconium is studied. The evolution of the structure-phase state of the alloy during oxidation under dynamic and isothermal conditions is considered on samples prepared by vacuum remelting and directional solidification. The phase composition and the microstructure of the alloy are examined by the methods of physico-chemical analysis, and the distribution of alloying elements in initial samples and the products of oxidation is estimated. Thermogravimetric experiments are performed on powders and compacted samples during continuous (in the range 25-1400°C) and isothermal (at 900 and 1100°C) heating in air. The directional solidification of an Nb-Si-Ti-Al-Hf-Cr-Mo-Zr-Y is found to cause the formation of an ultradispersed eutectic consisting of α-Nb ss and γ-Nb5Si3 ss cells. The as-cast sample prepared by vacuum remelting has a dendritic structure and contains Nb3Si apart from these phases. Oxidation leads to the formation of a double oxide layer and an inner oxidation zone, which retain the two-phase microstructure and the ratio of alloying elements that are characteristic of the initial alloy. Diffusion redistribution is only detected for molybdenum. The cyclicity of heating at the initial stage of oxidation weakly influences the oxidation resistance of the alloy.

  16. Zircon U-Pb geochronology and Sr-Nd-Pb-Hf isotopic constraints on the timing and origin of Mesozoic granitoids hosting the Mo deposits in northern Xilamulun district, NE China

    NASA Astrophysics Data System (ADS)

    Shu, Qihai; Lai, Yong; Zhou, Yitao; Xu, Jiajia; Wu, Huaying

    2015-12-01

    Located in the east section of the Central Asian orogen in northeastern China, the Xilamulun district comprises several newly discovered molybdenum deposits, primarily of porphyry type and Mesozoic ages. This district is divided by the Xilamulun fault into the southern and the northern parts. In this paper, we present new zircon U-Pb dating, trace elements and Hf isotope, and/or whole rock Sr-Nd-Pb isotopic results for the host granitoids from three Mo deposits (Yangchang, Haisugou and Shabutai) in northern Xilamulun. Our aim is to constrain the age and petrogenesis of these intrusions and their implications for Mo mineralization. Zircon U-Pb LA-ICP-MS dating shows that the monzogranites from the Shabutai and Yangchang deposits formed at 138.4 ± 1.5 and 137.4 ± 2.1 Ma, respectively, which is identical to the molybdenite Re-Os ages and coeval well with the other Mo deposits in this region, thereby indicating an Early Cretaceous magmatism and Mo mineralization event. Zircon Ce/Nd ratios from the mineralized intrusions are significantly higher than the barren granites, implying that the mineralization-related magmas are characterized by higher oxygen fugacity. These mineralized intrusions share similar zircon in-situ Hf and whole rock Sr-Nd isotopic compositions, with slightly negative to positive εHf(t) ranging from - 0.8 to + 10.0, restricted εNd(t) values from - 3.7 to + 1.6 but a little variable (87Sr/86Sr)i ratios between 0.7021 and 0.7074, indicative of formation from primary magmas generated from a dominantly juvenile lower crust source derived from depleted mantle, despite diverse consequent processes (e.g., magma mixing, fractional crystallization and crustal contamination) during their evolution. The Pb isotopes (whole rock) also show a narrow range of initial compositions, with (206Pb/204Pb)i = 18.03-18.88, (207Pb/204Pb)i = 15.48-15.58 and (208Pb/204Pb)i = 37.72-38.28, in agreement with Sr-Nd-Hf isotopes reflecting the dominance of a mantle component

  17. Structural phase transformation and microwave dielectric studies of SmNb(1-x)(Si(1/2)Mo(1/2))(x)O(4) compounds with fergusonite structure.

    PubMed

    Ramarao, S D; Murthy, V R K

    2015-05-21

    Temperature- and composition-induced phase transition in SmNbO4 was studied by differential scanning calorimetry, Raman spectroscopy and high-temperature powder X-ray diffraction measurements. In situ X-ray diffraction studies revealed that SmNbO4 possesses a monoclinic fergusonite crystal structure at ambient temperature and transforms to a tetragonal scheelite structure above the transition temperature (To ≥ 800 °C). The second-order nature of this transition was confirmed by observing a linear relationship between the spontaneous strain (es) of SmNbO4 and the Landau order parameter (η) around the phase transition temperature. We stabilized this high-temperature tetragonal scheelite phase at ambient temperature by substituting Si(4+) and Mo(6+) into the Nb site of SmNbO4. The SmNb1-x(Si1/2Mo1/2)xO4 (x = 0.0-0.69) ceramic compositions were prepared by the conventional solid-state reaction method. Rietveld refinement was carried out on all the compositions to examine the phase purity, and the compositions where x < 0.06 all formed a monoclinic fergusonite structure (I2/a space group, Z = 2). Both the X-ray diffraction and Raman spectroscopy measurements revealed that increasing the concentration of x transformed the structure from monoclinic fergusonite to tetragonal scheelite (I41/a space group, Z = 4) at a critical concentration (xc). Both the monoclinic and tetragonal phases coexisted in the composition range of 0.06 ≤ x < xc. The Hakki-Coleman and reflection cavity techniques were used to measure the dielectric constant and quality factor of these stabilized phases, respectively. The temperature coefficient of the resonant frequency was measured by using an invar cavity attached to a programmable hot plate. The high-density samples possessed good microwave dielectric properties. PMID:25904504

  18. Thermal fatigue of a SiC/Ti-15Mo-2.7Nb-3Al-0.2Si composite

    NASA Astrophysics Data System (ADS)

    Revelos, W. C.; Jones, J. W.; Dolley, E. J.

    1995-05-01

    The influence of thermal cycling and isothermal exposures in air on the residual ambient temperature strength of SCS-6/Ti-15Mo-2.7Nb-3Al-0.2Si (weight percent) metal-matrix composites comprised of [0]4 and [0/90]s laminates has been determined. A maximum temperature of 815 °C was used in thermal cycling and isothermal exposure. Temperature range, cycle count, maximum/minimum temperature, environment, and hold time at temperature were systematically varied. Postexposure ambient-temperature tension testing, scanning electron and optical microscopy, and fractography were performed on selected specimens to determine the degree of damage. A reduced residual strength was noted in thermal fatigue with increasing cycle count, maximum temperature, and hold time for all specimens tested in air. Isothermal exposures at 815 °C also substantially reduced residual ambient-temperature strength. Considerably less reduction in strength occurred in inert environment than in air. Damage processes included matrix cracking, fiber/matrix interface damage, matrix embrittlement by interstitials, and oxide scale formation at specimen surfaces and, in some cases, at matrix/fiber interfaces. Fiber orientations which allowed rapid ingress of oxygen lead to greater matrix embrittlement and resulted in more pronounced reductions in strength.

  19. Atomic-Scale Determination of Active Facets on the MoVTeNb Oxide M1 Phase and Their Intrinsic Catalytic Activity for Ethane Oxidative Dehydrogenation.

    PubMed

    Melzer, Daniel; Xu, Pinghong; Hartmann, Daniela; Zhu, Yuanyuan; Browning, Nigel D; Sanchez-Sanchez, Maricruz; Lercher, Johannes A

    2016-07-25

    Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) has been used to image the basal {001} plane of the catalytically relevant M1 phase in MoVTeNb complex oxides. Facets {010}, {120}, and {210} are identified as the most frequent lateral termination planes of the crystals. Combination of STEM with He ion microscopy (HIM) images, Rietveld analysis, and kinetic tests reveals that the activation of ethane is correlated to the availability of facets {001}, {120}, and {210} at the surface of M1 crystals. The lateral facets {120} and {210} expose crystalline positions related to the typical active centers described for propane oxidation. Conversely, the low activity of the facet {010} is attributed to its configuration, consisting of only stable M6 O21 units connected by a single octahedron. Thus, we quantitatively demonstrated that differences in catalytic activity among M1 samples of equal chemical composition depend primarily on the morphology of the particles, which determines the predominant terminating facets. PMID:26990594

  20. Promising half-metallic ferromagnetism in double perovskites Ba2VTO6 (T=Nb and Mo): Ab-initio LMTO-ASA investigations

    NASA Astrophysics Data System (ADS)

    Musa Saad H.-E., M.

    2012-07-01

    The electronic and magnetic properties of new ordered vanadium-based double perovskite oxides Ba2VTO6 (T=Nb and Mo) have been investigated using the ab-initio linear muffin-tin orbitals method with the atomic-sphere approximation (LMTO-ASA). The calculations performed by using the local spin-density approximation with on-site Coulomb interaction (LSDA+U) style. The self-consistent band structure calculations predict half-metallic ferromagnetic (HM-FM) ground states with total spin magnetic moments of 2.1021 μB and 3.0633 μB per formula unit cell for Ba2VNbO6 and Ba2VMoO6, respectively. HM-FM nature in two compounds organizes from the ddpπ-superexchange interactions 3d-t2g2-O (2p)-4d-t2gn (n=0 or 1), conformity with Zener-Goodenough-Kanamori rules.

  1. Characterization of the structural details of residual austenite in the weld metal of a 9Cr1MoNbV welded rotor

    NASA Astrophysics Data System (ADS)

    Liu, Xia; Ji, Hui-jun; Liu, Peng; Wang, Peng; Lu, Feng-gui; Gao, Yu-lai

    2014-06-01

    The existence of residual austenite in weld metal plays an important role in determining the properties and dimensional accuracy of welded rotors. An effective corrosive agent and the metallographic etching process were developed to clearly reveal the characteristics of residual austenite in the weld metal of a 9Cr1MoNbV welded rotor. Moreover, the details of the distribution, shape, length, length-to-width ratio, and the content of residual austenite were systematically characterized using the Image-Pro Plus image analysis software. The results revealed that the area fraction of residual austenite was approximately 6.3% in the observed weld seam; the average area, length, and length-to-width ratio of dispersed residual austenite were quantitatively evaluated to be (5.5 ± 0.1) μm2, (5.0 ± 0.1) μm, and (2.2 ± 0.1), respectively. The newly developed corrosive agent and etching method offer an appropriate approach to characterize residual austenite in the weld metal of welded rotors in detail.

  2. The Effect of Simulated Thermomechanical Processing on the Transformation Behavior and Microstructure of a Low-Carbon Mo-Nb Linepipe Steel

    NASA Astrophysics Data System (ADS)

    Cizek, P.; Wynne, B. P.; Davies, C. H. J.; Hodgson, P. D.

    2015-01-01

    The present work investigates the transformation behavior of a low-carbon Mo-Nb linepipe steel and the corresponding transformation product microstructures using deformation dilatometry. The continuous cooling transformation (CCT) diagrams have been constructed for both the fully recrystallized austenite and that deformed in uniaxial compression at 1148 K (875 °C) to a strain of 0.5 for cooling rates ranging from 0.1 to about 100 K/s. The obtained microstructures have been studied in detail using electron backscattered diffraction complemented by transmission electron microscopy. Heavy deformation of the parent austenite has caused a significant expansion of the polygonal ferrite transformation field in the CCT diagram, as well as a shift in the non-equilibrium ferrite transformation fields toward higher cooling rates. Furthermore, the austenite deformation has resulted in a pronounced refinement in both the effective grain (sheaf/packet) size and substructure unit size of the non-equilibrium ferrite microstructures. The optimum microstructure expected to display an excellent balance between strength and toughness is a mix of quasi-polygonal ferrite and granular bainite (often termed "acicular ferrite") produced from the heavily deformed austenite within a processing window covering the cooling rates from about 10 to about 100 K/s.

  3. Estimates if population inversion for deep-UV transitions in Kr-like Y,Zr,Nb and Mo in a high-current reflex discharge

    SciTech Connect

    Finkenthal, M, May, M J; Fournier, K; Goldstein, W H; Shlyaptsev, V N; Soukhanovskii, V; Stutman, D

    1999-07-06

    Kr-like ions are good candidates for FUV lasing since they can be produced in plasmas quite easily. We present results from a spectroscopic investigation of Y IV emission from a high current density, cold cathode reflex discharge. The Y II to Y V emission is recorded in the 200-3000 {angstrom} range using photometrically calibrated spectrometers, while the emission of trace aluminum ions serves for plasma diagnostics. The intensities of the Y IV 4d - 5p and 5s - 5p transitions strongly increase relative to lines from Y II and Y III with increasing plasma current. The spectra studied here are obtained at a current density of 1.75 A/cm{sup 2}. Experimental Y IV intensity ratios spanning several excited configurations are compared with collisional radiative predictions of the HULLAC atomic physics package. Good agreement is found for the measured and predicted ratios of 4p{sup 5}5p to 4p{sup 5}5s level populations per statistical weight. Finally, the response of the Kr-like system to a fast, transient excitation pulse is examined using the RADEX code. Large transient gains are predicted for several 5s - 5p transitions in Y IV, Zr V, Nb VI and Mo VII.

  4. High temperature coefficient of resistance achieved by ion beam assisted sputtering with no heat treatment in V{sub y}M{sub 1−y}O{sub x} (M = Nb, Hf)

    SciTech Connect

    Vardi, Naor; Sharoni, Amos

    2015-11-15

    Thermal imaging based on room temperature bolometer sensors is a growing market, constantly searching for improved sensitivity. One important factor is the temperature coefficient of resistance (TCR), i.e., the sensitivity of the active material. Herein, the authors report the improved TCR properties attainable by the “ion beam assisted deposition” method for room temperature deposition. V{sub y}M{sub 1−y}O{sub x} (M = Nb, Hf) thin-film alloys were fabricated on 1 μm thermal SiO{sub 2} atop Si (100) substrates by reactive magnetron cosputtering at room temperature using a low energy ion source, aimed at the film, to insert dissociated oxygen species and increase film density. The authors studied the influence of deposition parameters such as oxygen partial pressure, V to M ratio, and power of the plasma source, on resistance and TCR. The authors show high TCR (up to −3.7% K{sup −1}) at 300 K, and excellent uniformity, but also an increase in resistance. The authors emphasize that samples were prepared at room temperature with no heat treatment, much simpler than common processes that require annealing at high temperatures. So, this is a promising fabrication route for uncooled microbolometers.

  5. Analysis of local regions near interfaces in nanostructured multicomponent (Ti-Zr-Hf-V-Nb)N coatings produced by the cathodic-arc-vapor-deposition from an arc of an evaporating cathode

    NASA Astrophysics Data System (ADS)

    Krause-Rehberg, R.; Pogrebnyak, A. D.; Borisyuk, V. N.; Kaverin, M. V.; Ponomarev, A. G.; Bilokur, M. A.; Oyoshi, K.; Takeda, Y.; Beresnev, V. M.; Sobol', O. V.

    2013-08-01

    Multicomponent nanostructured (Ti-Zr-Hf-V-Nb)N coatings produced by the cathodic-arc-vapor-deposition method have been studied using several complementary methods of elemental and structural analysis, such as those based on the use of slow positron beam (SPB); proton microbeam (μ-PIXE); electron micro- and nanobeam (EDS and SEM analysis); and X-ray diffraction phase analysis (XRD), including the a-sin2ϕ method of measuring the stress-strain state (X-ray tensometry). The elemental composition, microstructure, residual stresses in nanograins, and in-depth and surface distributions of defects and atoms, as well as the phase composition, stress-strain state, and texture of the coatings have been studied in a 3D representation. It has been found that creating a state of elastic stress-strain compression in the coating can significantly enhance its resistance to oxidation upon annealing. A redistribution of elements and defects (their aligning and segregation) due to diffusion and termination of spinodal segregation has been revealed near interfaces, around grains and subgrains, which occurred without a significant change in the average size of nanograins.

  6. 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

  7. Effect of Laves Phase on High-Temperature Deformation and Microstructure Evolution in an 18Cr-2Mo-0.5Nb Ferritic Stainless Steel

    NASA Astrophysics Data System (ADS)

    Ikeda, Ken-ichi; Yamoah, Nana Kwame Gyan; Reynolds, William T.; Hamada, Jun-ichi; Murayama, Mitsuhiro

    2015-08-01

    Niobium-containing ferritic stainless steels are finding new applications in automotive exhaust components because of their oxidation resistance, thermal fatigue resistance, and high-temperature strength. The mechanical behavior of Nb-containing ferritic steels at service temperatures of 973 K (700 °C) and higher results from the convolution of dynamic microstructural changes including precipitation, precipitate coarsening, strain hardening, recovery, and recrystallization. The relative contributions of these competing processes have yet to be clarified. In this study, the high-temperature flow strength of an 18Cr-2Mo-0.5Nb ferritic stainless steel (SUS 444) was correlated with microstructure under different strain and initial precipitate distributions to clarify the relative role of the strengthening and softening processes. High-temperature tensile tests at 1023 K (750 °C) of un-aged (initial microstructure is precipitate-free) and pre-aged (initial microstructure contains precipitates) samples were carried out and transmission electron microscopy was used to assess dislocation distributions and precipitate morphology. The difference in the stress-strain curves between un-aged and pre-aged samples was drastic; the yield strength of the un-aged sample was twice that of the pre-aged sample, and the un-aged sample exhibits a noticeable yield drop. Transmission electron microscopy revealed a Laves phase nucleated and grew during the high-temperature tensile test in the un-aged sample and the majority of the precipitates in the pre-aged sample were the same Laves phase. Furthermore, a strain effect on precipitate growth was recognized in un-aged and pre-aged conditions by comparing grip (no strain) and gage (strained) sections of tensile samples. The dominant strengthening contribution in un-aged samples is initially the precipitate shearing mechanism and it changes to Orowan strengthening beyond the ultimate tensile strength, whereas the dominant contribution in

  8. Microstructural characterisation of near- α titanium alloy Ti-6Al-4Sn-4Zr-0.70Nb-0.50Mo-0.40Si

    NASA Astrophysics Data System (ADS)

    Ramachandra, C.; Singh, A. K.; Sarma, G. M. K.

    1993-06-01

    Microstructural stability in the near-α titanium alloy (alloy 834) containing Ti-6Al-4Sn-4Zr-0.70Nb-0.50Mo-0.40Si (in weight percent), in the β and (α + β) solution-treated and quenched conditions, has been investigated. The β transus for this alloy is approximately 1333 K. Solution treatment in the β phase field at 1353 K followed by quenching in water at room temperature resulted in the formation of α' martensite platelets with high dislocation density and stacking faults. Thin films of β are found to be sandwiched between interface phases, which, in turn, are sandwiched at the interplatelet boundaries of lath martensite. The interface phase is a subject of much controversy in the literature. Solution treatment at 1303 K in the (α + β) phase field followed by quenching in water at room temperature resulted in the near-equiaxed primary α and transformed β. Both the β and (α + β) solution-treated specimens were aged in the temperature range of 873 to 973 K. While aging the —treated specimen at 973 K, (α + β)-treated specimen, even at a lower temperature of 873 K for 24 hours, caused precipitation of suicides predominantly at the interplatelet boundaries of martensite laths. Electron diffraction analysis confirmed them to be hexagonal suicide S2 with a = 0.702 nm and c = 0.368 nm. The above difference in the precipitation could be attributed to the partitioning of a higher amount of β - stabilizing elements as well as silicide-forming elements to the transformed β in the (α + β) solution-treated condition. However, ordering of the α' phase was observed under all of the aging conditions studied. The ordered domains were due to the longer aging times, which cause local increases in the level of the α-stabilizing elements.

  9. Effect of thermomechanical processing on the microstructure and retained austenite stability during in situ tensile testing using synchrotron x-ray diffraction of NbMoAI TRIP steel.

    SciTech Connect

    Pereloma, E.; Zhang, L.; Liss, K.-D.; Garbe, U.; Almer, J.; Schambron, T.; Beladi, H.; Timokhina, I.

    2011-06-01

    In this work we compare and contrast the stability of retained austenite during tensile testing of Nb-Mo-Al transformation-induced plasticity steel subjected to different thermomechanical processing schedules. The obtained microstructures were characterised using optical metallography, transmission electron microscopy and X-ray diffraction. The transformation of retained austenite to martensite under tensile loading was observed by in-situ high energy X-ray diffraction at 1ID / APS. It has been shown that the variations in the microstructure of the steel, such as volume fractions of present phases, their morphology and dimensions, play a critical role in the strain-induced transition of retained austenite to martensite.

  10. Micro-scale abrasive wear behavior of medical implant material Ti-25Nb-3Mo-3Zr-2Sn alloy on various friction pairs.

    PubMed

    Wang, Zhenguo; Huang, Weijiu; Ma, Yanlong

    2014-09-01

    The micro-scale abrasion behaviors of surgical implant materials have often been reported in the literature. However, little work has been reported on the micro-scale abrasive wear behavior of Ti-25Nb-3Mo-3Zr-2Sn (TLM) titanium alloy in simulated body fluids, especially with respect to friction pairs. Therefore, a TE66 Micro-Scale Abrasion Tester was used to study the micro-scale abrasive wear behavior of the TLM alloy. This study covers the friction coefficient and wear loss of the TLM alloy induced by various friction pairs. Different friction pairs comprised of ZrO2, Si3N4 and Al2O3 ceramic balls with 25.4mm diameters were employed. The micro-scale abrasive wear mechanisms and synergistic effect between corrosion and micro-abrasion of the TLM alloy were investigated under various wear-corrosion conditions employing an abrasive, comprised of SiC (3.5 ± 0.5 μm), in two test solutions, Hanks' solution and distilled water. Before the test, the specimens were heat treated at 760°C/1.0/AC+550°C/6.0/AC. It was discovered that the friction coefficient values of the TLM alloy are larger than those in distilled water regardless of friction pairs used, because of the corrosive Hanks' solution. It was also found that the value of the friction coefficient was volatile at the beginning of wear testing, and it became more stable with further experiments. Because the ceramic balls have different properties, especially with respect to the Vickers hardness (Hv), the wear loss of the TLM alloy increased as the ball hardness increased. In addition, the wear loss of the TLM alloy in Hanks' solution was greater than that in distilled water, and this was due to the synergistic effect of micro-abrasion and corrosion, and this micro-abrasion played a leading role in the wear process. The micro-scale abrasive wear mechanism of the TLM alloy gradually changed from two-body to mixed abrasion and then to three-body abrasion as the Vickers hardness of the balls increased. PMID:25063112

  11. Study on feasibility of producing an amorphous surface layer of Fe49Cr18Mo7B16C4Nb3 by pulsed Nd:YAG laser surface melting

    NASA Astrophysics Data System (ADS)

    Mojaver, Reza; Mojtahedi, Faezeh; Shahverdi, Hamid Reza; Torkamany, Mohammad Javad

    2013-01-01

    This work aims to investigate whether an amorphous surface layer can be obtained when as-cast Fe49Cr18Mo7B16C4Nb3 alloy is submitted to pulsed Nd:YAG laser surface melting. The experiments were conducted in the various laser scanning speeds. The microstructures of laser treated zones were investigated by X-ray diffraction XRD and Field Emission Scanning Electron Microscope (FESEM) and their microhardness were measured, too. The chemical composition of different points of each sample was analyzed by energy-dispersive X-ray spectroscopy EDS. Although the estimated cooling rates in surface layers were higher than the required cooling rate to achieve full amorphization, but the present experiments were unable to retain complete glassy microstructure on surface and a mixture of amorphous (low volume fraction) and ultrafine grained phases were produced in surface of samples. Based on the findings, it was understood that the overlapping of successive pulses and element redistributions occurred in pulsed laser melting could severely restrict amorphization. The influence of laser scan speed and laser power on heat input, melting ratio, compositional changes and cracking in laser treated zone were discussed separately. It is suggested that the limited range of laser variables in pulsed Nd:YAG laser melting may help to produce a sound amorphous phase of as-cast Fe49Cr18Mo7B16C4Nb3 alloy.

  12. 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.

  13. Preparation of in situ and ex situ reinforced Fe-10Cr-1Cu-1Ni-1Mo-2C containing NbC particles by milling and hot pressing

    NASA Astrophysics Data System (ADS)

    Li, Xiao-qiang; Li, Zi-yang; Ye, Yong-quan; Hu, Ke

    2015-02-01

    An in situ and ex situ reinforced powder metallurgy (PM) steel was prepared by the combination of high-energy ball milling and subsequent hot pressing of elemental mixed powders of Fe-10Cr-1Cu-1Ni-1Mo-2C by mass with the addition of NbC particles. A 40-h milling pretreatment makes the powder particles nearly equiaxed with an average diameter of ˜8 μm, and the ferrite grain size is refined to ˜6 nm. The sintered density reaches 99.0%-99.7% of the theoretical value when the sintering is conducted at temperatures greater than 1000°C for 30 min. In the sintered bulk specimens, the formation of an in situ M7C3 (M = Cr, Fe, Mo) phase is confirmed. M7C3 carbides with several hundred nanometers in size are uniformly distributed in the matrix. Some ultra-fine second phases of 50-200 nm form around the ex situ NbC and in situ M7C3 particles. The sintered steel exhibits an excellent combination of hardness (> Hv 500) and compressive strength (2100-2420 MPa).

  14. Composition effects on mechanical properties of HfC-strengthened molybdenum alloys

    NASA Technical Reports Server (NTRS)

    Witzke, W. R.

    1976-01-01

    The mechanical properties of swaged rod thermomechanically processed from arc-melted Mo-2Re-Hf-C alloys containing as much as 0.9 mol pct HfC have been evaluated. The low temperature ductilities of these alloys were not influenced by the amount of HfC present but by the amount of Hf in excess of stoichiometry. Maximum ductility occurred at 0.2 to 0.3 at. pct excess Hf. At 0.3 to 0.5 mol pct HfC, alloy strength varied directly with the Mo content of extracted carbide particles, both decreasing as the amount of excess Hf increased. Additions of 2 at. pct Re had little effect on strength or ductility. Tensile and creep strengths of Mo-2Re-0.7Hf-0.5C alloy equaled or exceeded those of other high strength Mo alloys.

  15. Ab Initio Calculated Thermodynamic Properties of Mo5SiB2 Phase and Nb5SiB2 Phase

    NASA Astrophysics Data System (ADS)

    Kim, Sungtae; Park, J. S.

    2013-11-01

    Due to their attractive high-temperature properties, multiphase Mo-Si-B alloys in the Mo-rich Mo-Si-B ternary system have been identified for high-temperature applications. The ternary intermetallic T2 (Mo5SiB2) phase is a central feature of the phase equilibria within this ternary system. Experimental stability analyses of the T2 phase shows its broad homogeneous composition ranges that can yield a constitutional defect structure such as vacancies for Mo-rich compositions and antisite defects for Mo-lean compositions. Previous thermodynamic model did not conform to the defect structures as reported in experiments, and thus subsequently a new sublattice thermodynamic model for the T2 phase is initiated in this study. To support the new sublattice thermodynamic model, ab initio calculations were implemented to compute formation energy data. The calculated formation energy data explain a source for broad compositional homogeneity range of T2 structure.

  16. 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.

  17. Experimental investigation of stress effect on swelling and microstructure of Fe-16Cr-15Ni-3Mo-Nb austenitic stainless steel under low-temperature irradiation up to high damage dose in the BOR-60 reactor

    NASA Astrophysics Data System (ADS)

    Neustroev, V. S.; Ostrovsky, Z. E.; Shamardin, V. K.

    2004-08-01

    The present paper was devoted to investigation of the stress effect on swelling and microstructure evolution of the Fe-15.8Cr-15.3Ni-2.8Mo-0.6Nb steel irradiated in the BOR-60 reactor at temperatures from 395 to 410 °C and damage doses from 79 to 98 dpa. Was found out that the stress increase leads to an increase of swelling, that can be associated with a decrease in incubation period with a practically constant swelling rate. Voids concentration increases at the first stage of irradiation when the void sizes are practically constant, and then the concentration reaches some saturation and swelling increase is caused by void growth.

  18. Importance of cluster distortions in the tetrahedral cluster compounds GaM{sub 4}X{sub 8} (M=Mo,V,Nb,Ta; X=S,Se): Ab initio investigations

    SciTech Connect

    Sieberer, M.; Turnovszky, S.; Redinger, J.; Mohn, P.

    2007-12-01

    In this paper, we study the structural properties of selected representatives of the so-called molybdenum cluster compounds. Belonging to this family are the GaM{sub 4}X{sub 8} compounds with M=Mo as a group VIB element and V, Nb, or Ta as a group VB element. X denotes either S or Se. These compounds are known to exhibit semiconducting behavior in the electrical resistivity, caused by hopping of electrons between well-separated metal clusters. The large separation of the tetrahedral metal (M{sub 4}) clusters is believed to be the origin of strong correlations. We show that recent calculations neglected an important type of structural distortion, namely, those happening only within the M{sub 4} unit at a fixed angle {alpha}=60 deg. of the trigonal (fcc-like) cell. These internal distortions gain a significant amount of energy compared to the cubic cell and they are--to our knowledge--almost undetectable with powder x-ray diffraction experiments. However, they strongly influence the band-structure by opening up a gap at the Fermi-energy. This, however, puts into question whether all compounds of this family are really Mott insulators as stated elsewhere. In particular, ferromagnetic GaMo{sub 4}S{sub 8} and GaV{sub 4}S{sub 8} are well described within density functional theory. Only the Nb- and Ta-based representatives require a large effort due to the lack of magnetic long-range order caused by frustrated antiferromagnetic M-M interactions.

  19. Atomistic modeling of ternary additions to NiTi and quaternary additions to Ni-Ti-Pd, Ni-Ti-Pt and Ni-Ti-Hf shape memory alloys

    NASA Astrophysics Data System (ADS)

    Mosca, H. O.; Bozzolo, G.; del Grosso, M. F.

    2012-08-01

    The behavior of ternary and quaternary additions to NiTi shape memory alloys is investigated using a quantum approximate method for the energetics. Ternary additions X to NiTi and quaternary additions to Ni-Ti-Pd, Ni-Ti-Pt, and Ni-Ti-Hf alloys, for X=Au, Pt, Ir, Os, Re, W, Ta,Ag, Pd, Rh, Ru, Tc, Mo, Nb, Zr, Zn, Cu, Co, Fe, Mn, V, Sc, Si, Al and Mg are considered. Bulk properties such as lattice parameter, energy of formation, and bulk modulus of the B2 alloys are studied for variations due to the presence of one or two simultaneous additives.

  20. Changes in microstructure during primary creep of a Ti-47Al-2Nb-1Mn-0.5W-0.5Mo-0.2Si alloy

    SciTech Connect

    Seo, D.Y.; Bieler, T.R.; An, S.U.; Larsen, D.E.

    1998-01-01

    Cast gamma titanium aluminides are gaining acceptance as potential replacements for superalloy and steel components in many applications. One particular alloy with W, Mo, and Si additions has shown exceptional primary creep resistance. Quantitative microscopic comparisons were made between microstructures in undeformed and deformed regions in creep specimens deformed to strains between 0.1 and 1.5 pct strain, using optical microscope, scanning electron microscope (SEM), and transmission electron microscope (TEM) techniques. As-hot isostatically pressed (hipped) and heat-treated (1,010 C for 50 hours) conditions were compared. The as-hipped specimen had a higher lamellar volume fraction, and it crept more than 100 times faster. The lamellar spacing in the lamellar grains systematically decreased by 15 to 35%, with increasing stress, during the first 0.1 to 2% strain. Precipitates containing W, Mo, and/or Si were observed in the deformed gage and undeformed grip sections of the heat-treated specimens. Precipitation is nucleated by heat treatment, but, during creep deformation, a more homogeneous and faster growth process occurs in the gage section than in the aged but undeformed grip section. The gage section had a 35% higher precipitate volume fraction, but their average size was smaller. A lower volume fraction of lamellar grains and the presence of precipitates account for the excellent creep resistance in the heat-treated alloy.

  1. 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.

  2. Irradiation creep of 11Cr-0.5Mo-2W,V,Nb ferritic-martensitic, modified 316, and 15Cr-20Ni austenitic S.S. irradiated in FFTF to 103-206 dpa

    NASA Astrophysics Data System (ADS)

    Uehira, A.; Mizuta, S.; Ukai, S.; Puigh, R. J.

    2000-12-01

    The irradiation creep of 11Cr-0.5Mo-2W-0.2V-0.05Nb ferritic-martensitic (PNC-FMS), modified 316 (PNC316) and 15Cr-20Ni base austenitic S.S. were determined by the gas pressurized capsule irradiation test using MOTA in FFTF. The pressurized capsules and open tubes were irradiated at 678-943 K to a peak dose of 206 dpa. The irradiation creep coefficients were derived from the diametral change differences between the capsules and open tubes, accounting for the stress-induced swelling. The creep compliance B0 and creep-swelling coupling coefficient D for PNC-FMS were found to be 0.43-0.76×10-6 MPa-1 dpa-1 and 0.85-2.5×10-2 MPa-1 for volumetric swelling, respectively. For both PNC316 and 15Cr-20Ni base S.S. the irradiation creep properties were very similar. B0 and D range from 0.55 to -1.5×10-6 MPa-1 dpa-1 and from 1.2 to -2.8×10-3 MPa-1, respectively.

  3. Stability, elastic properties and fracture toughness of Al0.75X0.75B14 (X=Sc, Ti, V, Cr, Y, Zr, Nb, Mo) investigated using ab initio calculations.

    PubMed

    Emmerlich, Jens; Thieme, Niklas; to Baben, Moritz; Music, Denis; Schneider, Jochen M

    2013-08-21

    The effect of the transition metal valence electron concentration on the energy of formation, effective charge of B icosahedra, elastic properties, surface energy and fracture toughness was calculated using density functional theory for icosahedral transition metal borides of AlXB14 (X=Sc, Ti, V, Cr, Y, Zr, Nb, Mo). Consistent with previous work on AlYB14 (Kölpin et al 2009 J. Phys.: Condens. Matter 21 355006) it is shown that phase stability is generally dependent on the effective charge of the icosahedral transition metal borides. Also, ionization potential and electronegativity are identified as parameters affecting the effective charge of B icosahedra suitable for use in predicting the phase stability. Al0.75Y0.75B14, Al0.75Sc0.75B14 and Al0.75Zr0.75B14 have been identified as promising phases for application as protective coatings as they exhibit high phase stability and stiffness combined with a comparatively high fracture toughness. PMID:23877961

  4. Radiative rates for E1, E2, M1, and M2 transitions in the Br-like ions Sr IV, Y V, Zr VI, Nb VII, and Mo VIII

    SciTech Connect

    Aggarwal, Kanti M. Keenan, Francis P.

    2015-09-15

    Energies and lifetimes are reported for the lowest 375 levels of five Br-like ions, namely Sr IV, Y V, Zr VI, Nb VII, and Mo VIII, mostly belonging to the 4s{sup 2}4p{sup 5}, 4s{sup 2}4p{sup 4}4ℓ, 4s4p{sup 6}, 4s{sup 2}4p{sup 4}5ℓ, 4s{sup 2}4p{sup 3}4d{sup 2}, 4s4p{sup 5}4ℓ, and 4s4p{sup 5}5ℓ configurations. Extensive configuration interaction has been included and the general-purpose relativistic atomic structure package (GRASP) has been adopted for the calculations. Additionally, radiative rates are listed among these levels for all E1, E2, M1, and M2 transitions. From a comparison with the measurements, the majority of our energy levels are assessed to be accurate to better than 2%, although discrepancies between theory and experiment for a few are up to 6%. An accuracy assessment of the calculated radiative rates (and lifetimes) is more difficult, because no prior results exist for these ions.

  5. Structural and magnetic study of Yb{sup 3+} in the perovskites Sr{sub 2}YbMO{sub 6} (M=Nb, Ta, Sb)

    SciTech Connect

    Coomer, Fiona C.; Campbell, John; Giordano, Nico; Collins, Oonagh M.; Cussen, Edmund J.

    2015-01-15

    The compounds Sr{sub 2}YbNbO{sub 6}, Sr{sub 2}YbTaO{sub 6} and Sr{sub 2}YbSbO{sub 6} have been prepared using solid state methods by heating pelleted reagents in air at temperatures up to 1400 °C. Rietveld refinement against room temperature neutron powder diffraction data show that all three compounds crystallise with a cation-ordered variant of the perovskite structure in the P2{sub 1}/n space group. Complete cation ordering occurs between M{sup 5+} and Yb{sup 3+} over two octahedrally-coordinated sites in the structure and all compounds are stoichiometric in oxygen. The Sb–O bond lengths are similar to related perovskite compounds but differ slightly from those indicated by bond valence sums. Magnetic susceptibility data resemble Curie–Weiss paramagnetic behaviour, but can be better understood as arising from the effect of the octahedral crystal field on the {sup 2}F{sub 5/2} ground state of Yb{sup 3+} leading to a temperature dependent magnetic moment on this ion below 100 K. - Graphical abstract: The magnetic susceptibility of the face-centred cubic Yb{sup 3+} lattice is dominated by the temperature dependent single-ion moment below 100 K. - Highlights: • Cation-ordered perovskites are studied using neutron diffraction and magnetometry. • Yb{sup 3+} cations form a pseudo face centred cubic lattice in a distorted structure. • Sb{sup 5+} cation is slightly overbonded as observed in related perovskites. • Crystal field splitting of 4f{sup 13} Yb{sup 3+} giving a temperature dependent moment. • Magnetic susceptibility reproduces theoretical predictions below 100 K.

  6. Optimization of the Processing of Mo Disks

    SciTech Connect

    Tkac, Peter; Rotsch, David A.; Stepinski, Dominique; Makarashvili, Vakhtang; Harvey, James; Vandegrift, George F.

    2016-01-01

    The objective of this work is to decrease the processing time for irradiated disks of enriched Mo for the production of 99Mo. Results are given for the dissolution of nonirradiated Mo disks, optimization of the process for large-scale dissolution of sintered disks, optimization of the removal of the main side products (Zr and Nb) from dissolved targets, and dissolution of irradiated Mo disks.

  7. Electronic transport in the quasi-one-dimensional conductors, NbSe{sub 3} and Tl{sub 2}Mo{sub 6}Se{sub 6}, under elastic strain

    SciTech Connect

    Tseng, Yaw-Teng

    1993-12-31

    I have investigated two different linear chain compounds; NbSe{sub 3}, a conventional CDW material undergoing two independent charge density wave phase transitions at 144 K and 59 K, and Tl{sub 2}Mo{sub 6}Se{sub 6}, a novel quasi-one-dimensional conductor standing out from its M{sub 2}Mo{sub 6}X{sub 6} family because of its superconductivity at 5-7 K. Under elastic strain {var_epsilon}, the threshold field E{sub Tau} is greatly increased for the upper CDW but not for the lower CDW. The minimum in E{sub Tau} doubles at {epsilon} = 1% for the upper CDW whereas it increases less than 10% for the lower CDW. Using a plot of the E{sub Tau} vs. the reduced temperature, t = T/T{sub Rho} where T{sub Rho} is the Peierls transition temperature, we show that the t{sub min}, temperature where E{sub Tau} goes through a minimum, is independent of {epsilon}/ Below t{sub min}, elastic strain experiments can separate E{sub Tau} into two additive terms, E{sub Tau}({epsilon},{Tau}) = E{prime} {sub Tau}(t) + E{double_prime}{sub Tau}({epsilon},t) is independent of t and is equal to Emin below tmin., and E`{sub Tau}(t) is independent of {epsilon} and n{sub i}. We speculate that E{prime}{sub Tau}(t) is due to phase slip, and E{double_prime}{sub Tau}({epsilon},t) is due to impurity pinning. Such a separation is valid for both the upper and lower CDWs. The lower CDW resistance anomaly and thermopower are strongly enhanced by {epsilon}. An interesting feature is that the slope of the piezoresistance dR/D{sigma} and piezothermopower dS/d{sigma} both show a peculiar decrease at {epsilon} = 0.5 {plus_minus} 0.1%. They exhibit a plateau-like region below 40 K. We discuss the results in term of suggested Fermi surfaces topological change using a model in which a electron-like Fermi surface at the zone boundary is depleted under elastic strain.

  8. Phase stability and site substitution in Nb-Al compounds

    SciTech Connect

    Sluiter, M.; Takahashi, M.; Kawazoe, Y.

    1995-07-01

    The site preferences of Ta, Mo, and W in A15 Nb{sub 3}Al, the phase stability of off-stoichiometric A15 Nb{sub 3}Al, and the atomic order of the Nb{sub 2}Al D8{sub b} ({sigma}) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta ale found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8{sub b} Nb{sub 2}Al phase contributes significantly to its stability.

  9. The Remarkable Nb2(CO)12 with Seven-Coordinate Niobium: Decarbonylation to Nb2(CO)11 and Nb2(CO)10.

    PubMed

    Tang, Lihong; Luo, Qiong; Li, Qian-Shu; Xie, Yaoming; King, R Bruce; Schaefer, Henry F

    2011-07-12

    The dissociation of Nb2(CO)12 into two Nb(CO)6 units is predicted to require ∼13 kcal/mol so that Nb2(CO)12 rather than Nb(CO)6 is the anticipated initial oxidation product of the known Nb(CO)6(-) anion. This differs from the corresponding vanadium carbonyl chemistry where V(CO)6 rather than V2(CO)12 is found experimentally to be the oxidation product of V(CO)6(-). The lowest energy Nb2(CO)12 structure consists of two Nb(CO)6 fragments joined by a Nb-Nb bond of ∼3.4 Å length so that each niobium atom is heptacoordinate, counting the metal-metal bond. These niobium coordination polyhedra can be approximated by capped octahedra. Among unsaturated binuclear niobium carbonyls the lowest energy Nb2(CO)11 structure has a formal four-electron donor bridging η(2)-μ-CO group and a formal Nb-Nb single bond rather than only two-electron donor carbonyl groups and a formal Nb═Nb double bond. The Nb2(CO)11 structures with formal Nb═Nb double bonds and exclusively two-electron donor carbonyl groups lie more than 13 kcal/mol above this low-energy Nb2(CO)10(η(2)-μ-CO) structure. However, Nb2(CO)11 is predicted to be thermodynamically disfavored, owing to disproportionation into Nb2(CO)12 + Nb2(CO)10, a slightly exothermic process by ∼4 kcal/mol. The Nb2(CO)10 structures with formal Nb≡Nb triple bonds and all two-electron donor carbonyl groups appear to be particularly favorable, as suggested by high CO dissociation energies and viability toward disproportionation. Such structures are isolobal with Cp2Mo2(CO)4, which was the first stable metal carbonyl to be discovered with a short metal-metal distance, corresponding to a formal triple bond. Considerably higher energy Nb2(CO)10 structures (by more than 20 kcal/mol) have two four-electron donor bridging carbonyl groups and long niobium-niobium distances. Such structures can be considered to consist of a bidentate Nb(CO)6 "ligand" coordinating to a Nb(CO)4 unit through the two η(2)-μ-CO groups. PMID:26606483

  10. Supermarine Spitfire HF VII

    NASA Technical Reports Server (NTRS)

    1944-01-01

    Supermarine Spitfire HF VII: This Supermarine Spitfire HF VII was one of high-altitude versions of the famous fighter, its normal elliptical wingtips replaced by extended 'pointed' tips for its high-altitude role. This is one of the Langley aircraft that has survived. It is in the Smithsonian Institution's National Air and Space Museum's collection.

  11. Solution heat-treatment of Nb-modified MAR-M247 superalloy

    SciTech Connect

    Soares Azevedo e Silva, Paulo Ricardo; Baldan, Renato; Nunes, Carlos Angelo; Carvalho Coelho, Gilberto; and others

    2013-01-15

    MAR-M247 superalloy has excellent mechanical properties and good oxidation resistance at elevated temperatures. Niobium is an element known as {gamma} Prime phase hardener in nickel-based superalloys, besides promoting homogeneous distribution of MC carbides. This work is inserted in a project that aims to evaluate the total replacement of tantalum by niobium atoms in MAR-M247 superalloy (10.2 Co, 10.2 W, 8.5Cr, 5.6 Al, 1.6 Nb, 1.4 Hf, 1.1 Ti, 0.7 Mo, 0.15 C, 0.06 Zr, 0.015 B, Ni balance-wt.%). Based on microstructural characterizations (SEM and FEG-SEM, both with EDS) of the as-cast material and heat-treated materials as well as utilizing Thermocalc simulations and experiments of differential thermal analysis (DTA), heat-treatment at 1260 Degree-Sign C for 8 h was chosen as an ideal condition for the solution of Nb-modified MAR-M247 superalloy. The hardness of as-cast and ideally solution treated materials was 390 {+-} 14 HV and 415 {+-} 6 HV, respectively. - Highlights: Black-Right-Pointing-Pointer DTA and microstructure of MAR-M247(Nb) showed a good agreement with Thermocalc. Black-Right-Pointing-Pointer An ideal condition for solution heat-treatment of MAR-M247(Nb) is 1260 Degree-Sign C for 8 h. Black-Right-Pointing-Pointer It was an observed evidence of incipient melting in samples heat-treated at 1280 Degree-Sign C.

  12. 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.

  13. Experimental cross-sections for proton-induced nuclear reactions on natMo

    NASA Astrophysics Data System (ADS)

    Červenák, Jaroslav; Lebeda, Ondřej

    2016-08-01

    In the framework of the Co-ordinated Research Project of the IAEA, we measured in detail cross-sections of the nuclear reactions natMo(p,x)93gTc, 93mTc, 93m+gTc, 94gTc, 94mTc, 95gTc, 95mTc, 96m+gTc, 97mTc, 99mTc, 90Mo, 93mMo, 99Mo, 88gNb, 88mNb, 89gNb, 89mNb, 90m+gNb, 90m+gNbcum, 91mNb, 92mNb, 95gNb, 95mNb, 95m+gNb, 96Nb, 97m+gNb, 88m+gZrcum and 89m+gZrcum in the energy range of 6.9-35.8 MeV. The data for formation of 97mTc, 88gNb, 88mNb and 89mNb are reported for the first time. The obtained results were compared to the prediction of the nuclear reaction model code TALYS adopted from the TENDL-2015 library and to the previously published cross-sections. The thick target yields for all the radionuclides were calculated from the measured data. We suggest recommended cross-sections and thick target yields for the 100Mo(p,2n)99mTc, 100Mo(p,x)99Mo and natMo(p,x)96m+gTc nuclear reactions deduced from the selected experimental data.

  14. Heat-to-Heat Variation in Creep Life and Fundamental Creep Rupture Strength of 18Cr-8Ni, 18Cr-12Ni-Mo, 18Cr-10Ni-Ti, and 18Cr-12Ni-Nb Stainless Steels

    NASA Astrophysics Data System (ADS)

    Abe, Fujio

    2016-06-01

    Metallurgical factors causing the heat-to-heat variation in time to rupture have been investigated for 300 series stainless steels for boiler and heat exchanger seamless tubes, 18Cr-8Ni (JIS SUS 304HTB), 18Cr-12Ni-Mo (JIS SUS 316HTB), 18Cr-10Ni-Ti (JIS SUS321 HTB), and 18Cr-12Ni-Nb (JIS SUS 347HTB), at 873 K to 1023 K (600 °C to 750 °C) using creep rupture data for nine heats of the respective steels in the NIMS Creep Data Sheets. The maximum time to rupture was 222,705.3 hours. The heat-to-heat variation in time to rupture of the 304HTB and 316HTB becomes more significant with longer test durations at times above ~10,000 hours at 973 K (700 °C) and reaches to about an order of magnitude difference between the strongest and weakest heats at 100,000 hours, whereas that of the 321HTB and 347HTB is very large of about an order of magnitude difference from a short time of ~100 hours to long times exceeding 100,000 hours at 873 K to 973 K (600 °C to 700 °C). The heat-to-heat variation in time to rupture is mainly explained by the effect of impurities: Al and Ti for the 304HTB and 316HTB, which reduces the concentration of dissolved nitrogen available for the creep strength by the formation of AlN and TiN during creep, and boron for the 347HTB, which enhances fine distributions of M23C6 carbides along grain boundaries. The heat-to-heat variation in time to rupture of the 321HTB is caused by the heat-to-heat variation in grain size, which is inversely proportional to the concentration of Ti. The fundamental creep rupture strength not influenced by impurities is estimated for the steels. The 100,000 hours-fundamental creep rupture strength of the 347HTB steel is lower than that of 304HTB and 316HTB at 873 K and 923 K (600 °C and 650 °C) because the slope of stress vs time to rupture curves is steeper in the 347HTB than in the 304HTB and 316HTB. The 100,000 hours-fundamental creep rupture strength of the 321HTB exhibits large variation depending on grain size.

  15. Heat-to-Heat Variation in Creep Life and Fundamental Creep Rupture Strength of 18Cr-8Ni, 18Cr-12Ni-Mo, 18Cr-10Ni-Ti, and 18Cr-12Ni-Nb Stainless Steels

    NASA Astrophysics Data System (ADS)

    Abe, Fujio

    2016-09-01

    Metallurgical factors causing the heat-to-heat variation in time to rupture have been investigated for 300 series stainless steels for boiler and heat exchanger seamless tubes, 18Cr-8Ni (JIS SUS 304HTB), 18Cr-12Ni-Mo (JIS SUS 316HTB), 18Cr-10Ni-Ti (JIS SUS321 HTB), and 18Cr-12Ni-Nb (JIS SUS 347HTB), at 873 K to 1023 K (600 °C to 750 °C) using creep rupture data for nine heats of the respective steels in the NIMS Creep Data Sheets. The maximum time to rupture was 222,705.3 hours. The heat-to-heat variation in time to rupture of the 304HTB and 316HTB becomes more significant with longer test durations at times above ~10,000 hours at 973 K (700 °C) and reaches to about an order of magnitude difference between the strongest and weakest heats at 100,000 hours, whereas that of the 321HTB and 347HTB is very large of about an order of magnitude difference from a short time of ~100 hours to long times exceeding 100,000 hours at 873 K to 973 K (600 °C to 700 °C). The heat-to-heat variation in time to rupture is mainly explained by the effect of impurities: Al and Ti for the 304HTB and 316HTB, which reduces the concentration of dissolved nitrogen available for the creep strength by the formation of AlN and TiN during creep, and boron for the 347HTB, which enhances fine distributions of M23C6 carbides along grain boundaries. The heat-to-heat variation in time to rupture of the 321HTB is caused by the heat-to-heat variation in grain size, which is inversely proportional to the concentration of Ti. The fundamental creep rupture strength not influenced by impurities is estimated for the steels. The 100,000 hours-fundamental creep rupture strength of the 347HTB steel is lower than that of 304HTB and 316HTB at 873 K and 923 K (600 °C and 650 °C) because the slope of stress vs time to rupture curves is steeper in the 347HTB than in the 304HTB and 316HTB. The 100,000 hours-fundamental creep rupture strength of the 321HTB exhibits large variation depending on grain size.

  16. A first attempt to measure 92Nb/93Nb ratios with Accelerator Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Guozhu, He; Ming, He; Zuying, Zhou; Zhenyu, Li; Kejun, Dong; Shaoyong, Wu; Shilong, Liu; Xiongjun, Chen; Qiwen, Fan; Chaoli, Li; Xianwen, He; Heng, Li; Shan, Jiang

    2013-01-01

    An Accelerator Mass Spectrometry (AMS) method for the measurement of the long-lived radionuclide 92Nb has been established at the HI-13 Tandem Accelerator of the China Institute of Atomic Energy (CIAE). Niobium powder mixed with PbF2 by a ratio of 1:2 (in mass) was used as the cathode material. Atomic anions of Nb- were extracted from a Cs-beam sputter source. The terminal voltage of the tandem accelerator was 8.5 MV. Nb13+ ions were selected after terminal foil stripping. A multi-anode gas ionization chamber was used for the particle detection. The total suppression factor of the two major interfering isobars, 92Zr and 92Mo, was about 103. A detection limit of about 10-11 was achieved for 92Nb/93Nb ratio measurements on a blank sample.

  17. 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.

  18. Phase relation and microstructure of NbCr{sub 2} Laves intermetallics in ternary Nb-Cr-X alloy systems

    SciTech Connect

    Yoshida, M.; Takasugi, T.

    1997-12-31

    The isothermal phase diagrams of ternary alloy systems Nb-Cr-V and Nb-Cr-Mo are determined by metallography, X-ray diffraction (XRD) and transmission electron microscopy (TEM) equipped with energy dispersive X-ray (EDX). In two alloy systems, the C15 NbCr{sub 2} Laves phases are equilibrated directly with bcc solid solution without forming any intermediate phases. Relatively large amount of ternary elements V and Mo are soluble in the C15 NbCr{sub 2} Laves phases. It is shown that the C15 Laves phases extend along directions so that V occupies Cr site while Mo occupies Nb site. Also, characteristic structure containing micro twins and stacking faults is observed in the C15 Laves phase alloyed with Mo. Bcc phase has a wider solid solution range in the X(=V and Mo)-rich side than the Nb-rich and Cr-rich sides. A variety of duplex microstructures are observed depending on alloy system and alloy composition.

  19. A coupled ionosphere-raytrace model for high-power HF heating

    NASA Astrophysics Data System (ADS)

    Zawdie, K. A.; Huba, J. D.; Drob, D. P.; Bernhardt, P. A.

    2015-11-01

    The first 3-D model of artificial HF ionospheric heating to self-consistently calculate the modification in heating location due to evolving ionospheric gradients has been developed. The model combines the ionosphere model SAMI3/ESF and the HF propagation code MoJo-15. At each time step, the simulated path of the HF wave through the ionosphere is used to determine the HF heating location. These calculations have been used to explain the physical mechanism responsible for the snapback effect observed in an Arecibo HF heating experiment described by Bernhardt et al. (1988). The heater wave is refracted by the density cavity, which causes the heating location to drift in longitude. Eventually, the density cavity convects into the path of the refracted ray, such that only a small portion of the ray is above the threshold for HF heating and the heating location snaps back even though the ray itself is still refracted in longitude.

  20. Surface characteristics and castability of Zr-14Nb alloy dental castings.

    PubMed

    Kajima, Yuka; Doi, Hisashi; Takaichi, Atsushi; Hanawa, Takao; Wakabayashi, Noriyuki

    2014-01-01

    The purpose of this study was to evaluate mechanical properties, surface characteristics and castability of Zr-14Nb dental castings. The mean 0.2% proof and ultimate tensile strengths of Zr-14Nb were approximately 68% and 76% those of Ti-6Al-7Nb, respectively, while they were comparable to Co-29Cr-6Mo. Elongation of Zr-14Nb was the highest of all alloys tested. The hardened reaction layer was formed on the surfaces of the Zr-14Nb castings. The layer consisted of oxygen and aluminum originating form investment. The castability of Zr-14Nb was comparable to that of Ti-6Al-7Nb. Dental castings of Zr-14Nb reveal mechanical properties that were within the range of the other dental alloys. Further improvements in castability and minimization of the surface reaction layer are needed for applications in dental prostheses. PMID:25273042

  1. Discovery of new monolayer material Nb3SiTe6

    NASA Astrophysics Data System (ADS)

    Hu, Jin; Liu, Xue; Yue, Chunlei; Mao, Zhiqiang; Wei, Jiang

    2014-03-01

    The discovery of atomically-thin materials, such as graphene and monolayer transition metal dichalcogenides, has ushered in a new era of low-dimensional physics. Due to the quantum confinement effect in reduced dimensionality, the electronic structures of monolayer materials are reconstructed, leading to exotic physical properties such as Dirac fermions in graphene, large direct band gap and valley-spin coupling in MoS2. Recently we prepared a new monolayer form of a complex material Nb3SiTe6. Nb3SiTe6 possesses a tetragonal structure with each Nb-Si lattice sheet sandwiched by two Te layers. The Te-Nb/Si-Te layers are coupled by Van der Waals gap. Similar to MoS2, within Te-Nb/Si-Te layers each Nb forms six bonds with Te atoms, forming trigonal prismatic coordination. We successfully obtained mono-layer Nb3SiTe6 using micro-mechanical exfoliate technique. While bulk Nb3SiTe6 is metallic, the electronic properties of Nb3SiTe6 monolayer are expected to be distinct from those of bulk due to the quantum confinement effect. In this talk, we will report the preparation and electronic properties of Nb3SiTe6 monolayer. This success of preparing Nb3SiTe6 monolayer provides a new playground for studying low dimensional physics and nanotechnology.

  2. Geochronology, geochemistry, and Sr-Nd-Hf isotopes of the early Paleozoic igneous rocks in the Duobaoshan area, NE China, and their geological significance

    NASA Astrophysics Data System (ADS)

    Wu, Guang; Chen, Yuchuan; Sun, Fengyue; Liu, Jun; Wang, Guorui; Xu, Bei

    2015-01-01

    The Duobaoshan area of northwestern Heilongjiang Province is the most important copper resource concentration region in NE China. To date, the Duobaoshan superlarge Cu-Mo deposit and the Tongshan large Cu-Mo deposit have been discovered in the Duobaoshan area. Both the deposits are hosted by granodiorites and volcanic rocks. Zircon LA-ICP-MS U-Pb dating indicates that these granodiorites emplaced approximately 479 Ma ago and that those volcanic rocks erupted between 447 and 450 Ma. The early Ordovicain granodiorites belong to the high-K to medium-K calc-alkaline series and are characterized by high Al2O3 and Sr contents, low Yb and Y contents, and relatively low Mg# values and Na2O/K2O ratios, with positive Eu or slight negative Eu anomalies (averaging 1.18). All of these geochemical characters are similar to those of the adakites generated by partial melting of a thickened lower crust in the world. Moreover, the granodiorites have low initial 87Sr/86Sr ratios (varying from 0.703474 to 0.704436), very high zircon εHf(t) and whole-rock εNd(t) values (varying from 13.0 to 16.8 and 5.27 to 5.46, respectively), and young zircon Hf and whole-rock Nd single-stage and two-stage model ages. Taking these geochemical characteristics and Sr-Nd-Hf isotope compositions together, we suggest that the early Ordovician granodiorites in the Duobaoshan area occurred in a post-collision environment and were formed by partial melting of a juvenile thickened lower crust dominated by depleted mantle-derived material. These late Ordovician volcanic rocks, which are composed of basalt, basaltic andesite, and andesite, belong to the tholeiitic or calc-alkaline series. They are generally enriched in large ion lithophile elements (LILEs) and depleted in high field strength elements (HFSEs; e.g., Nb, Ta, Zr, Hf, P, and Ti), consistent with the geochemistry of igneous rocks from island arcs or active continental margins. Compared with the early Ordovician granodiorites, these volcanic rocks

  3. Preparation of Protective MoSi2 Coating on Niobium Substrate

    NASA Astrophysics Data System (ADS)

    Yan, JianHui; Wang, Yi; Liu, LongFei; Wang, Yueming; Chen, Fang

    2015-08-01

    A protective MoSi2 coating on Nb substrate was prepared by air plasma spraying and annealing followed by siliconizing. The influence of annealing for plasma-sprayed Mo layer on the subsequent preparation of MoSi2 coating was investigated. Oxidation behavior of the MoSi2 coating was investigated at 1200 °C in air. Phase constituents and microstructure of the MoSi2 coating were characterized by x-ray diffraction and scanning electron microscopy. High-temperature annealing significantly decreases the porosity of the as-sprayed Mo coating (from 9.6 to 2.1%). After vacuum annealing, the splat boundaries and lamellar microstructure of the as-sprayed coating disappear and the recrystallized structure of the Mo coating appears. The MoSi2 coating falls off from the surface of the as-sprayed Mo coating during siliconizing process. The MoSi2 coating prepared on the annealed Mo layer surface has a dense microstructure, which shows a good interface bond between the coating and the Nb substrate. The coating has a multilayer structure, with MoSi2 outer layer, Mo middle layer, and Mo-Nb alloy inner layer. The MoSi2 coating exhibits an excellent oxidation resistance at 1200 °C in air.

  4. 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.

  5. Extraction of the fluoride-, chloride-, and bromide complexes of the elements Nb, Ta, Pa, and 105 into aliphatic amines

    NASA Astrophysics Data System (ADS)

    Paulus, W.; Kratz, J. V.; Strub, E.; Zauner, S.; Brüchle, W.; Pershina, V.; Schädel, M.; Schausten, B.; Adams, J. L.; Gregorich, K. E.; Hoffman, D. C.; Laue, C.; Lee, D. M.; McGrath, C. A.; Shaughnessy, D. K.; Strellis, D. A.; Sylwester, E. R.

    1999-01-01

    Previous studies of the halide complex formation of element 105 in HCl/HF mixtures and extractions into triisooctyl amine (TIOA) had been performed with the Automated Rapid Chemistry Apparatus, ARCA II. Element 105 was shown to be sorbed on the column from 12 M HCl/0.02 M HF together with its lighter homologues Nb, Ta and the pseudohomologue Pa. In elutions with 10 M HCl/0.025 M HF, 4 M HCl/0.02 M HF, and 0.5 M HCl/0.01 M HF, the extraction sequence Ta>Nb>105>Pa was observed and element 105 behaved very differently from its closest homologue Ta. As it is not possible within reasonable effort to model the many presumably mixed fluoride-chloride complexes involved in these studies, theoretical calculations were performed in the pure chloride system predicting a reversed sequence of extraction. To verify this experimentally, and in order to perform a systematic study of halide complexation of the group 5 elements, new batch extraction experiments for Nb, Ta, and Pa were performed with the quaternary ammonium salt Aliquat 336 in pure HF, HCl, and HBr solutions. Based on these results, new chromatographic column separations were elaborated to study separately the fluoride and chloride complexation of element 105 with ARCA II. In the system Aliquat 336/HF, after feeding of the activity onto the column in 0.5 M HF, element 105 did not elute in 4 M HF (Pa fraction) but showed a higher distribution coefficient close to that of Nb (and Ta). In the system Aliquat 336/HCl, after feeding onto the column in 10 M HCl, element 105 showed a distribution coefficient in 6 M HCl close to that of Nb establishing an extraction sequence Pa>Nb≥105>Ta which is theoretically predicted by considering the competition between hydrolysis and complex formation.

  6. Oxidation and interdiffusion behavior of Niobium substrate coated MoSi2 coating prepared by spark plasma sintering

    NASA Astrophysics Data System (ADS)

    Yan, JianHui; Wang, Yi; Liu, LongFei; Wang, Yueming

    2014-11-01

    In order to protect Niobium material from oxidation, MoSi2 coating was prepared on the Niobium substrate by spark plasma sintering. Oxidation behavior of MoSi2 coating was investigated in air over the temperature range of 1200-1500 °C. The interfacial diffusion between MoSi2 coating and Niobium substrate was also examined. Dense MoSi2 coating was successfully prepared using spark plasma sintering. The porosities of top and side coatings are about 5.5% and 6.4%, respectively. No cracks were present in the MoSi2 coating. Cracking and spallation of the SiO2 scale did not occur at test temperatures. Two intermediate phases-(Nb,Mo)5Si3 and Nb5Si3 phases, were detected in the boundary of MoSi2 coating and Nb substrate. The growth of the reaction layer was dominated by the diffusion of Si toward the Nb substrate and obeyed a parabolic rate law. A multi-layered structural coating formed on Nb substrate, which consisted of MoSi2, (Mo,Nb)5Si3 and Nb5Si3 in turn.

  7. Hierarchical MoS2@MoP core-shell heterojunction electrocatalysts for efficient hydrogen evolution reaction over a broad pH range

    NASA Astrophysics Data System (ADS)

    Wu, Aiping; Tian, Chungui; Yan, Haijing; Jiao, Yanqing; Yan, Qing; Yang, Guoyu; Fu, Honggang

    2016-05-01

    A low-cost catalyst for the hydrogen evolution reaction (HER) over a broad pH range is highly desired to meet the practical needs in different areas. In this study, hierarchical flower-like MoS2@MoP core-shell heterojunctions (HF-MoSP) are designed as a promising catalyst for HER over a broad pH range. The materials are obtained by the controllable phosphidation of the hierarchical MoS2 flower (HF-MoS2) composed of thin silk belt-like sheets. The phosphidation degree, P/S ratio and work function (WF) of HF-MoSP can be tuned easily over broad range by changing the phosphidation temperature. Under optimized condition, HF-MoSP exhibits excellent electrocatalytic activity for HER with a low onset overpotential of 29 mV and η of 108 mV at 10 mA cm-2 in 0.5 M H2SO4 and retains its good activity for 30 h. In addition, the catalyst shows excellent activity in 1 M KOH with an onset overpotential of 42 mV and η of 119 mV at 10 mA cm-2. The catalysts also exhibit obvious activity in neutral, weak acid and weak alkaline conditions. The good performance is relative to the synergy of the MoP shell and MoS2 core and the high WF of HF-MoSP close to Pt, and the large SBET of HF-MoSP benefited from the hierarchical structure. This study represents the construction of the core-shell heterojunction and provides a new way to provide the low-cost and high-performance catalyst for HER.A low-cost catalyst for the hydrogen evolution reaction (HER) over a broad pH range is highly desired to meet the practical needs in different areas. In this study, hierarchical flower-like MoS2@MoP core-shell heterojunctions (HF-MoSP) are designed as a promising catalyst for HER over a broad pH range. The materials are obtained by the controllable phosphidation of the hierarchical MoS2 flower (HF-MoS2) composed of thin silk belt-like sheets. The phosphidation degree, P/S ratio and work function (WF) of HF-MoSP can be tuned easily over broad range by changing the phosphidation temperature. Under optimized

  8. Pulsed inductive HF laser

    NASA Astrophysics Data System (ADS)

    Razhev, A. M.; Churkin, D. S.; Kargapol'tsev, E. S.; Demchuk, S. V.

    2016-03-01

    We report the results of experimentally investigated dependences of temporal, spectral and spatial characteristics of an inductive HF-laser generation on the pump conditions. Gas mixtures H2 – F2(NF3 or SF66) and He(Ne) – H2 – F2(NF3 or SF6) were used as active media. The FWHM pulse duration reached 0.42 μs. This value corresponded to a pulsed power of 45 kW. For the first time, the emission spectrum of an inductive HF laser was investigated, which consisted of seven groups of bands with centres around the wavelengths of 2732, 2736, 2739, 2835, 2837, 2893 and 2913 nm. The cross section profile of the laser beam was a ring with a diameter of about 20 mm and width of about 5 mm. Parameters of laser operation in the repetitively pulsed regime were sufficiently stable. The amplitude instability of light pulses was no greater than 5% – 6%.

  9. Investigation of a --> w transformation in the Zr-Hf system to 42 GPa

    NASA Astrophysics Data System (ADS)

    Ming, Li-chung; Manghnani, Murli H.; Katahara, Keith W.

    1981-03-01

    Structural transformations in pure Zr and Hf and their alloys with 5.2, 21.1, 42.9, and 71.3 at . % Hf have been investigated up to 42 GPa (1 GPa = 10 kbar) at room temperature (˜22 °C) by in situ high-pressure x-ray diffraction techniques, using a diamond-anvil pressure cell. The pressure of transformation a→w increases rapidly with increasing Hf content. On extrapolation, the pressure of transformation a→w for Hf is estimated to be in the order of 60 GPa. Values of the c0/a0 ratio of the pressure-induced w phase for Zr and its alloys are 0.621±0.002, in good agreement with those of heat-treated w phases in the Zr-Nb system.

  10. Electronic Structure Differences in ZrO2 vs. HfO2

    SciTech Connect

    Zheng, Weijun; Bowen Jr., K.H.; Li, Jun; Dabkowska, Iwona; Gutowski, Maciej S.

    2005-12-22

    While ZrO2 and HfO2 are, for the most part, quite similar chemically, subtle differences in their electronic structures appear to be responsible for differing MO2/Si (M = Zr, Hf) interface stabilities. In order to shed light on the electronic structure differences between ZrO2 and HfO2, we have conducted joint experimental/theoretical studies. Since electron affinities are a sensitive probe of electronic structure, we have measured them by conducting photoelectron spectroscopic experiments on ZrO2- and HfO2-. The electron affinity of HfO2 was determined to be 2.14? 0.03 eV, while that of ZrO2 was determined to be 1.64 ? 0.03 eV. Concurrently, electronic structure calculations were conducted to determine electron affinities, vibrational frequencies, and geometries of these systems. The calculated electron affinities of HfO2 and ZrO2 were found to be 2.05 and 1.62 eV, respectively. The molecular results confirm earlier predictions from solid phases that HfO2 is more ionic than ZrO2. The excess electron in MO2- occupies an sd-type hybrid orbital localized on the M atom (M=Zr, Hf). The structural parameters of ZrO2 and HfO2 were found to be very similar. The difference in geometries between the neutral and the anion is along the symmetrical stretching and bending modes. Together, these studies unveil significant differences in the electronic structures of ZrO2 and HfO2.

  11. Hierarchical MoS2@MoP core-shell heterojunction electrocatalysts for efficient hydrogen evolution reaction over a broad pH range.

    PubMed

    Wu, Aiping; Tian, Chungui; Yan, Haijing; Jiao, Yanqing; Yan, Qing; Yang, Guoyu; Fu, Honggang

    2016-06-01

    A low-cost catalyst for the hydrogen evolution reaction (HER) over a broad pH range is highly desired to meet the practical needs in different areas. In this study, hierarchical flower-like MoS2@MoP core-shell heterojunctions (HF-MoSP) are designed as a promising catalyst for HER over a broad pH range. The materials are obtained by the controllable phosphidation of the hierarchical MoS2 flower (HF-MoS2) composed of thin silk belt-like sheets. The phosphidation degree, P/S ratio and work function (WF) of HF-MoSP can be tuned easily over broad range by changing the phosphidation temperature. Under optimized condition, HF-MoSP exhibits excellent electrocatalytic activity for HER with a low onset overpotential of 29 mV and η of 108 mV at 10 mA cm(-2) in 0.5 M H2SO4 and retains its good activity for 30 h. In addition, the catalyst shows excellent activity in 1 M KOH with an onset overpotential of 42 mV and η of 119 mV at 10 mA cm(-2). The catalysts also exhibit obvious activity in neutral, weak acid and weak alkaline conditions. The good performance is relative to the synergy of the MoP shell and MoS2 core and the high WF of HF-MoSP close to Pt, and the large SBET of HF-MoSP benefited from the hierarchical structure. This study represents the construction of the core-shell heterojunction and provides a new way to provide the low-cost and high-performance catalyst for HER. PMID:27172989

  12. Enhancement of longitudinal magneto-optical Kerr effect in HfO2/Co/HfO2/Al/silicon thin films

    NASA Astrophysics Data System (ADS)

    Zhang, Shaoyin; Gao, Jinlong; Xia, Wenbin; Chen, Leyi; Tang, Yanmei; Li, Daoyong; Tang, Shaolong; Du, Youwei

    2014-06-01

    In this paper, the longitudinal magneto-optical Kerr effect (MOKE) properties of the quadrilayer structure HfO2/Co/HfO2/Al/silicon are investigated experimentally and theoretically. The cavity enhancement of HfO2 on the magneto-optical (MO) Kerr response of the quadrilayer has been confirmed. The giant longitudinal Kerr rotation of -1.04° at wavelength of 570 nm is tested when the cap and intermediate HfO2 layer thicknesses are 15 nm and 30 nm, respectively. The longitudinal Kerr rotation reversal in the wavelength range (440-720 nm) is also observed. It is strongly suggested that the enhanced MOKE stems from the optical reflection and interference of the quadrilayer structure.

  13. Structural and magnetic phase transitions inEuTi1<mo>-mo>xNbxO3

    SciTech Connect

    Li, Ling; Morris, James R.; Koehler, Michael R.; Dun, Zhiling; Zhou, Haidong; Yan, Jiaqiang; Mandrus, David; Keppens, Veerle

    2015-07-30

    We have investigated the structural and magnetic phase transitions in EuTi1-xNbxO3 (0 ≤ x ≤ 0.3) with synchrotron powder x-ray diffraction, resonant ultrasound spectroscopy, and magnetization measurements. Upon Nb doping, the Pm3¯m ↔ I4/mcm structural transition shifts to higher temperatures and the room temperature lattice parameter increases while the magnitude of the octahedral tilting decreases. In addition, Nb substitution for Ti destabilizes the antiferromagnetic ground state of the parent compound and long-range ferromagnetic order is observed in the samples with x ≥ 0.1. The structural transition in pure and doped compounds is marked by a dramatic steplike softening of the elastic moduli near TS , which resembles that of SrTiO3 and can be adequately modeled using the Landau free energy model employing the same coupling between strain and octahedral tilting order parameter as previously used to model SrTiO3.

  14. Low-lying states in 96Nb from the (t,α) reaction

    NASA Astrophysics Data System (ADS)

    Cloessner, Paul F.; Stöffl, Wolfgang; Sheline, Raymond K.; Lanier, Robert G.

    1984-02-01

    The nuclear structure of 96Nb has been studied with the (t,α) reaction at 17 MeV on an isotopically enriched target of 97Mo using a quadrupole-three-dipole spectrometer. Measured angular distributions were compared with distorted-wave Born approximation calculations to assign l transfer values. The results are combined with published data and shell model considerations to reassign the 3- state of the low-lying π(p12)1ν(d52)-1 configuration and to confirm the assignments of the spins and parities of the other levels observed. [NUCLEAR REACTIONS 97Mo(t,α)96Nb, Et=17 MeV, enriched target; measured Eα,σ(θ). DWBA analysis. 96Nb deduced levels, Jπ. Compared 96Nb and 92Nb using Pandya relation.

  15. Processing and Oxidation Behavior of Nb-Si-B Intermetallics

    SciTech Connect

    Y.LIU; A.J. Thom; M.J. Kramer; M. Akinc

    2004-09-30

    Single phase materials of {alpha}-Nb{sub 5}Si{sub 3}, Nb{sub 5}(Si,B){sub 3} (T2) and Nb{sub 5}Si{sub 3}B{sub x} (D8{sub 8}) in the Nb-Si-B system were prepared by powder metallurgy processing. T2 was almost fully dense, while {alpha}-Nb{sub 5}Si{sub 3} and D8{sub 8} were porous after sintering at 1900 C for 2 hours. The lattice parameters of T2 decreased linearly with the substitution of B for Si. Isothermal oxidation testing at 1000 C in flowing air indicated that the oxidation resistances of T2 and D8{sub 8} are much better than {alpha}-Nb{sub 5}Si{sub 3}, but still extremely poor compared to the boron-modified Mo{sub 5}Si{sub 3}. Extensive cracking in the oxide scale and matrix were observed and arose from the volume expansion associated with the formation of Nb{sub 2}O{sub 5} and boron-containing silica glass.

  16. [Synthesis, spectral analysis and photocatalysis of Ag/K4Nb6,O17 heterojunction catalysts].

    PubMed

    Zhang, Feng-li; Cao, Yan-ning; Ying, Song; Chen, Rong; Zhang, Han-hui; Zheng, Qi

    2010-10-01

    K4Nb6O17 photocatalyst was successfully synthesized by low-temperature hydrothermal method with layer structure. Considering that a large number of hydroxyl (Nb-OH) and oxygen species (Nb==O, Nb--O-) exist on the surface of K4Nb6O17 synthesized by hydrothermal method, Ag(en)2+ precursors were employed to synthesize Ag/K4Nb6O17 heterostructure photo-catalysts with highly dispersed Ag. Photocatalytic performance evaluation results show that the photodegradation rate of MO for K4Nb6O17 was remarkably improved when a small amont of Ag was loaded. The best loading dose of Ag is 0.5 at%. Based on various characterizations results of XRD, FTIR, UV-Vis DRS, XRF and TEM, the photocatalytic mechanism of Ag/ K4Nb6O17 heterostructure catalysts was illuminated in detail and the conclusions were drawn as follows: (1) K4Nb6O17 nanocrystals serve as electron and hole sources for degradation of an organic dye; (2) Ag nanoparticles on the surface of K4Nb6O17 nanocrystals act as a sink for the electrons, promote interfacial charge-transfer kinetics between the metal and semiconductor, improve the separation of photogenerated electron-hole pairs, and thus enhance the photocatalytic activity of Ag/K4Nb6O17 photocatalyst. PMID:21137389

  17. Marburg Hemorrhagic Fever (Marburg HF)

    MedlinePlus

    ... The CDC Cancel Submit Search The CDC Marburg hemorrhagic fever (Marburg HF) Note: Javascript is disabled or is ... was first recognized in 1967, when outbreaks of hemorrhagic fever occurred simultaneously in laboratories in Marburg and Frankfurt, ...

  18. A Coupled Ionosphere-Raytrace Model for Artificial HF Heating

    NASA Astrophysics Data System (ADS)

    Zawdie, K.; Huba, J. D.; Drob, D. P.; Bernhardt, P. A.

    2015-12-01

    The first self-consistent 3D model of artificial HF ionospheric heating has been developed. The model combines the first principles ionosphere model SAMI3/ESF and the ray trace code MoJo-15. The location of HF heating is calculated by simulating the ray path through the ionosphere and determining the average heating location. This new model has been used to successfully simulate the snapback effect discovered in a Arecibo HF heating experiment described by Bernhardt et al. [1988]. The simulations provide new insight into the physical mechanism for snapback. As Bernhardt et al. [1988] hypothesized, the heater wave is refracted by the density cavity, thus causing the location of heating to drift in longitude. The cause of snapback, however, is not that the ray snaps back to its original configuration once the density cavity has convected out of range. Instead, the density cavity convects into the path of the refracted ray such that only a small portion of the ray near the original heating location is above the threshold for HF heating. The heating location thus suddenly snaps back to the original location but the ray itself is still refracted in longitude.

  19. Surface Passivation of MoO₃ Nanorods by Atomic Layer Deposition toward High Rate Durable Li Ion Battery Anodes.

    PubMed

    Ahmed, B; Shahid, Muhammad; Nagaraju, D H; Anjum, D H; Hedhili, Mohamed N; Alshareef, H N

    2015-06-24

    We demonstrate an effective strategy to overcome the degradation of MoO3 nanorod anodes in lithium (Li) ion batteries at high-rate cycling. This is achieved by conformal nanoscale surface passivation of the MoO3 nanorods by HfO2 using atomic layer deposition (ALD). At high current density such as 1500 mA/g, the specific capacity of HfO2-coated MoO3 electrodes is 68% higher than that of bare MoO3 electrodes after 50 charge/discharge cycles. After 50 charge/discharge cycles, HfO2-coated MoO3 electrodes exhibited specific capacity of 657 mAh/g; on the other hand, bare MoO3 showed only 460 mAh/g. Furthermore, we observed that HfO2-coated MoO3 electrodes tend to stabilize faster than bare MoO3 electrodes because nanoscale HfO2 layer prevents structural degradation of MoO3 nanorods. Additionally, the growth temperature of MoO3 nanorods and the effect of HfO2 layer thickness was studied and found to be important parameters for optimum battery performance. The growth temperature defines the microstructural features and HfO2 layer thickness defines the diffusion coefficient of Li-ions through the passivation layer to the active material. Furthermore, ex situ high resolution transmission electron microscopy, X-ray photoelectron spectroscopy, Raman spectroscopy, and X-ray diffraction were carried out to explain the capacity retention mechanism after HfO2 coating. PMID:26039512

  20. Effects of Microalloying on the Microstructures and Mechanical Properties of Directionally Solidified Ni-33(at.%)Al-31Cr-3Mo Eutectic Alloys Investigated

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel; Raj, Sai V.; Locci, Ivan E.; Salem, Jonathan A.

    2002-01-01

    Despite nickel aluminide (NiAl) alloys' attractive combination of oxidation and thermophysical properties, their development as replacements for superalloy airfoils in gas turbine engines has been largely limited by difficulties in developing alloys with an optimum combination of elevated-temperature creep resistance and room-temperature fracture toughness. Alternatively, research has focused on developing directionally solidified NiAl-based in situ eutectic composites composed of NiAl and (Cr,Mo) phases in order to obtain a desirable combination of properties a systematic investigation was undertaken at the NASA Glenn Research Center to examine the effects of small additions of 11 alloying elements (Co, Cu, Fe, Hf, Mn, Nb, Re, Si, Ta, Ti, and Zr) in amounts varying from 0.25 to 1.0 at.% on the elevated-temperature strength and room-temperature fracture toughness of directionally solidified Ni-33Al-31Cr-3Mo eutectic alloy. The alloys were grown at 12.7 mm/hr, where the unalloyed eutectic base alloy exhibited a planar eutectic microstructure. The different microstructures that formed because of these fifth-element additions are included in the table. The additions of these elements even in small amounts resulted in the formation of cellular microstructures, and in some cases, dendrites and third phases were observed. Most of these elemental additions did not improve either the elevated-temperature strength or the room-temperature fracture toughness over that of the base alloy. However, small improvements in the compression strength were observed between 1200 and 1400 K when 0.5 at.% Hf and 0.25 at.% Ti were added to the base alloy. The results of this study suggest that the microalloying of Ni-33Al-31Cr-3Mo will not significantly improve either its elevatedtemperature strength or its room-temperature fracture toughness. Thus, any improvements in these properties must be acquired by changing the processing conditions.

  1. 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

  2. Formation of the giant Chalukou porphyry Mo deposit in northern Great Xing'an Range, NE China: Partial melting of the juvenile lower crust in intra-plate extensional environment

    NASA Astrophysics Data System (ADS)

    Li, Zhen-Zhen; Qin, Ke-Zhang; Li, Guang-Ming; Ishihara, Shunso; Jin, Lu-Ying; Song, Guo-Xue; Meng, Zhao-Jun

    2014-08-01

    The Chalukou porphyry Mo deposit (2.46 Mt @ 0.087% Mo), located in the northern Great Xing'an Range, NE China, is the largest Mo deposit discovered in China so far. The host rocks consist of aplite porphyry, granite porphyry and quartz porphyry, and are intruded into Lower Ordovician intermediate-felsic volcanic-sedimentary rocks and pre-ore monzogranite and are cut by post-ore feldspar porphyry, diorite porphyry and quartz monzonite porphyry. Here, we present the zircon U-Pb ages, whole-rock geochemistry, Sr-Nd isotopic and zircon Hf isotopic data for the pre-ore, syn-ore and post-ore intrusive rocks. The Chalukou ore-forming porphyries intruded during 147-148 Ma and have high-silica, alkali-rich, metaluminous to slightly peraluminous compositions and are oxidized. They are enriched in large ion lithophile elements (e.g. K, Rb, U and Th), light REE and depleted in high-field strength elements (e.g. Nb, P and Ti). Depletions in Eu, Ba, Sr, Nb, Ta, P and Ti suggest that they have experienced strong fractional crystallization of plagioclase, biotite, hornblende and accessory minerals. The pre-ore monzogranite (~ 172 Ma) also belongs to the high-K calc-alkaline series. Highly fractionated REE patterns ((La/Yb) N = 19.6-21.7), high values of Sr/Y (54-69) and La/Yb (29-32), are adakite-like geochemical features. The post-ore rocks (~ 141-128 Ma) have similar geochemical characteristics with ore-forming porphyries except that quartz monzonite porphyry shows no Ba-Sr negative anomaly. All intrusive rocks have relative low initial 87Sr/86Sr (0.705413-0.707889) and εNd (t) values (- 1.28 to + 0.92), positive εHf (t) values (+ 2.4 to + 10.1) and young two-stage Nd and Hf model ages (TDM2 (Nd) = 863-977 Ma, TDM2 (Hf) = 552-976 Ma). These geochemical and isotopic data are interpreted to demonstrate that the ore-forming porphyries formed by partial melting of the juvenile lower crust caused by underplating of mafic magmas in an intra-plate extensional setting. The pre

  3. Optimization of the thermoelectric properties of FeNbSb-based half-Heusler materials

    NASA Astrophysics Data System (ADS)

    Li, Wenfeng; Yang, Gui; Zhang, Jianwei

    2016-05-01

    FeNbSb-based half-Heusler compounds have recently been reported as promising materials for good high-temperature thermoelectric materials with a ZT  >  1. Their electronic structure and thermoelectric properties are investigated based on a first-principles simulation and the semi-classical Boltzmann transport theory. The band structures show not only light and heavy bands but also high band degeneracy near the valence band maximum, which is beneficial for thermoelectric performance. The calculated Seebeck coefficients of p-type FeNbSb at high carrier concentrations exhibit the expected high values, which is consistent with experimental data. The evolution of the electrical conductivity and power factor with carrier concentration at different temperatures is investigated. Our results show that the thermoelectric performance of p-type FeNbSb can be improved by appropriate substitution; for example, by doping Hf on the Nb site, the maximum ZT of the p-type FeNb1‑x Hf x Sb can reach ~1.5 at 1200 K. This study can provide some theoretical guidance for experimental research to improve the thermoelectric performance of FeNbSb-based half-Heusler compounds.

  4. Effect of Mo addition on the crystal texture and deformation twin formation in Zr-based alloys

    NASA Astrophysics Data System (ADS)

    Chun, Y. B.; Hwang, S. K.; Kim, M. H.; Kwun, S. I.; Chae, S. W.

    2001-05-01

    The effect of Mo on the crystal texture of Zr-Nb and Zr-Nb-Mo alloys was studied. Molybdenum addition reduced the average sizes of the equiaxed α grains and the packets considerably. In the Zr-Nb alloy specimens free of Mo, the intensity of the normal basal texture increased with the initial grain size, which was attributed to the enhanced probability of twinning in coarse grains. Molybdenum also reduced the intensity of the normal basal texture of the Zr alloys, indicating a possible change in the mode of deformation caused by Mo addition. Moreover, the texture shift of the Zr alloys from ND-TD to ND-RD during annealing heat treatment was accelerated by Mo addition. Weakening of the normal basal texture in the cold-worked Mo-containing alloy, therefore, was attributed to the microstructural refinement and the change in the deformation mode.

  5. Integration of High-k Oxide on MoS2 by Using Ozone Pretreatment for High-Performance MoS2 Top-Gated Transistor with Thickness-Dependent Carrier Scattering Investigation.

    PubMed

    Wang, Jingli; Li, Songlin; Zou, Xuming; Ho, Johnny; Liao, Lei; Xiao, Xiangheng; Jiang, Changzhong; Hu, Weida; Wang, Jianlu; Li, Jinchai

    2015-11-25

    A top-gated MoS2 transistor with 6 nm thick HfO2 is fabricated using an ozone pretreatment. The influence to the top-gated mobility brought about by the deposition of HfO2 is studied statistically, for the first time. The top-gated mobility is suppressed by the deposition of HfO2 , and multilayered samples are less susceptible than monolayer ones. PMID:26426344

  6. Na2MoO2As2O7

    PubMed Central

    Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed

    2012-01-01

    Disodium molybdenum dioxide diarsenate, Na2MoO2As2O7, has been synthesized by a solid-state reaction. The structure is built up from MoAs2O12 linear units sharing corners to form a three-dimensional framework containing tunnels running along the a-axis direction in which the Na+ cations are located. In this framework, the AsV atoms are tetra­hedrally coordinated and form an As2O7 group. The MoVI atom is displaced from the center of an octa­hedron of O atoms. Two Na+ cations are disordered about inversion centres. Structural relationships between different compounds: A 2MoO2As2O7 (A = K, Rb), AMOP2O7 (A = Na, K, Rb; M = Mo, Nb) and MoP2O7 are discussed. PMID:23468669

  7. 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.

  8. Trapping of Implanted He at Cu/Nb Interfaces Measured by Neutron Reflectometry

    SciTech Connect

    Wang, Peng; Zhernenkov, Mikhail; Kashinath, Abishek; Demkowicz, Michael; Baldwin, Jon K.; Majewski, Jaroslaw

    2012-06-20

    In single crystalline metals, He is insoluble and precipitates into bubbles. In contrast, Cu-Nb multilayers show no evidence of bubble formation below a critical concentration. The conclusions of this paper are: (1) He is trapped at Cu/Nb , Cu/Mo interfaces; (2) He is trapped interstitially; (3) The interface swells {approx} 10 times; and (4) The layered structure retains despite the swell of interfaces.

  9. 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.

  10. Evaluation of Nb-base alloys for the divertor structure in fusion reactors

    SciTech Connect

    Purdy, I.M.

    1996-04-01

    Niobium-base alloys are candidate materials for the divertor structure in fusion reactors. For this application, an alloy should resist aqueous corrosion, hydrogen embrittlement, and radiation damage and should have high thermal conductivity and low thermal expansion. Results of corrosion and embrittlement screening tests of several binary and ternary Nb alloys in high-temperature water indicated the Mb-1Zr, Nb-5MO-1Zr, and Nb-5V-1Z4 (wt %) showed sufficient promise for further investigation. These alloys, together with pure Nb and Zircaloy-4 have been exposed to high purity water containing a low concentration of dissolved oxygen (<12 ppb) at 170, 230, and 300{degrees}C for up to {approx}3200 h. Weight-change data, microstructural observations, and qualitative mechanical-property evaluation reveal that Nb-5V-1Zr is the most promising alloy at higher temperatures. Below {approx}200{degrees}C, the alloys exhibit similiar corrosion behavior.

  11. The effect of silicon on the oxidation behavior of NiAlHf coating system

    NASA Astrophysics Data System (ADS)

    Dai, Pengchao; Wu, Qiong; Ma, Yue; Li, Shusuo; Gong, Shengkai

    2013-04-01

    Two types of NiAlHf coatings doped with different content of Si (1 at.% and 2 at.%) were deposited on a Ni3Al based single crystal superalloy IC32 by electron beam physical vapor deposition (EB-PVD) method, respectively. For comparison, NiAlHf coating with 0 at.% Si was also prepared. The oxidation tests were carried out at 1423 K in air. At the initial stage of oxidation, large amount of flake-like θ-Al2O3 was found on NiAlHf coating surface. However, no θ-Al2O3 was observed in 2 at.% Si doped NiAlHf coating except α-Al2O3. It revealed that the Si additions could contribute to the transformation from θ-Al2O3 to α-Al2O3. When oxidation time prolonged to 100 h, it was found that the degradation of NiAlHf coating was very severe with no residual β-phase, which was due to the serious inter-diffusion between the coating and substrate. In contrast, the inter-diffusion in Si-doped coating was reduced with some residual β-phase and R-Ni(Mo, Re) precipitates. The presence of Si could retard the inter-diffusion of elements between coating and substrate, indicating a barrier diffusion effect. As a result, the oxidation resistance of NiAlHf coating was improved significantly.

  12. HfS: Hyperfine Structure fitting tool

    NASA Astrophysics Data System (ADS)

    Estalella, Robert

    2016-07-01

    HfS fits the hyperfine structure of spectral lines, with multiple velocity components. The HfS_nh3 procedures included in HfS fit simultaneously the hyperfine structure of the NH3 (J,K)= (1,1) and (2,2) inversion transitions, and perform a standard analysis to derive the NH3 column density, rotational temperature Trot, and kinetic temperature Tk. HfS uses a Monte Carlo approach for fitting the line parameters, with special attention to the derivation of the parameter uncertainties. HfS includes procedures that make use of parallel computing for fitting spectra from a data cube.

  13. High-Temperature Compressive Properties of TiC-Added Mo-Si-B Alloys

    NASA Astrophysics Data System (ADS)

    Yoshimi, Kyosuke; Nakamura, Junya; Kanekon, Daiki; Yamamoto, Shiho; Maruyama, Kouichi; Katsui, Hirokazu; Goto, Takashi

    2014-09-01

    High-temperature compressive properties of two TiC-added Mo-Si-B alloys with nominal compositions of Mo-5Si-10B-7.5TiC (70Mo alloy) and Mo-6.7Si-13.3B-7.5TiC (65Mo alloy) (at.%) were investigated. The alloys were composed of four constituent phases: Mo solid solution (Moss), Mo5SiB2, (Mo,Ti)C, and (Mo,Ti)2C. The primary phases of the 70Mo and 65Mo alloys were Moss and T2, respectively. The compressive deformability of the 65Mo alloy was significantly limited even at 1600°C because of the elongated, coarse primary T2 phase, whereas the 70Mo alloy had good compressive deformability and a high strength in the test-temperature range of 1000-1600°C; the peak stresses were 1800 MPa at 1000°C, 1230 MPa at 1200°C, and 350 MPa at 1600°C. At and above 1200°C, the peak stress values were more than double those of Mo-6.7Si-7.9B, Ti-Zr-Mo, and Mo-Hf-C alloys. The plastic strain in the 70Mo alloy at temperatures lower than the ductile-brittle transition temperature of T2 was generated by plastic deformation of not only Moss but also of (Mo,Ti)C and (Mo,Ti)2C. This work indicates that (Mo,Ti)C and (Mo,Ti)2C play an important role in determining the high-temperature strength and deformation properties of TiC-added Mo-Si-B alloys.

  14. The Hf-Nd Systematics of Rutile-Bearing Eclogites From Koidu, Sierra Leone

    NASA Astrophysics Data System (ADS)

    Tibbetts, N. J.; Bizimis, M.; Salters, V. J.; Rudnick, R. L.

    2008-12-01

    Xenoliths from the Cretaceous Koidu kimberlite complex, Sierra Leone, West Africa, provide a rare opportunity to investigate the origin of rutile-bearing eclogites with variable, but superchondritic Nb/Ta, Nb/La and Ti/Zr ratios (Rudnick et al, 2000). Previous studies of the trace element and δ18O values of mineral separates and reconstructed whole rock compositions of two suites (high and low MgO) of eclogites lead to two inferred origins: as cumulates (high MgO eclogites, Barth et al., 2002) or residues of altered Archean oceanic crust (low MgO eclogites, Barth et al., 2001). We present the first Hf-Nd isotope data on clinopyroxenes (cpx) and garnets (gt) from Koidu eclogites. The reconstructed whole rock (cpx+gt) Hf isotopic compositions are heterogeneous, ranging in ɛHf from 0.2 to + 41 at the time of kimberlite eruption (85 Ma). Nd isotopic compositions are equally variable (ɛNd = 0.1 to +37), placing all eclogites at drastically more radiogenic values than terrestrial basalts. However, a significant part of the Hf- budget can reside in the rutile, which will most likely have a less radiogenic hafnium isotopic composition compared to the silicates. One can construct a limiting case by using mass balance arguments to calculate the hypothetical hafnium isotopic composition of the rutile. The bulk rock hafnium isotopic composition was constrained to be 4Ga old subducted oceanic crust. Even with a high modal abundance of rutile and a high Hf concentration in rutile, the calculated isotopic compositions are unrealistic and calculated rutile ages far exceed the age of the Universe. Using a younger age for the eclogite (2 or 3 Ga) does not significantly affect the calculated result. These first-order approximations show that the addition of rutile does not change the whole rock isotopic composition significantly from the radiogenic Hf-Nd compositions based on cpx and garnet alone. Our findings do not support geochemical models that predict 143Nd/144Nd and 176Hf

  15. Environmentally friendly HF (DF) lasers

    NASA Astrophysics Data System (ADS)

    Apollonov, V. V.

    2016-08-01

    Dedicated to the 100th anniversary of the birth of Academician A M Prokhorov, this paper reviews the physics of self-sustained volume discharge without preionization—self-initiated volume discharge (SIVD)—in the working mixtures of non-chain hydrofluoride HF (deuterofluoride (DF)) lasers. The dynamics of SIVD in discharge gaps with different geometries is thoroughly described. The mechanisms for the restriction of current density in a diffuse channel in electric discharges in SF6 and SF6 based mixtures (which determines whether SIVD is possible) are proposed and analyzed using simple models. The most probable mechanisms are the electron impact dissociation of SF6 and other mixture components, electron–ion recombination and electron attachment to vibrationally excited SF6 molecules. Starting from a comparative analysis of the rate coefficients of these processes, it is shown that electron–ion recombination is capable of compensating for electron detachment from negative ions via electron impact. It is also established that SIVD is not only observed in SF6, but also in other strongly electronegative gases. The factors that determine the uniformity of the active medium in non-chain HF (DF) lasers are analyzed. Some special features of non-chain HF (DF) lasers with different apertures operating are carefully examined. Consideration is given to the problem of increasing the aperture and discharge volume of non-chain HF (DF) lasers. Based on our experimental results, the possibility of increasing the energy of such lasers to ~1 kJ and above is shown.

  16. Effect of si on Microstructure and Fracture Toughness of Directionally Solidified nb Silicide Alloys

    NASA Astrophysics Data System (ADS)

    Wu, Meiling; Wang, Yuye; Li, Shusuo; Jiang, Liwu; Han, Yafang

    Nb-xSi(x=3,9,16)-22Ti-3Cr-3Al-2Hf (at.%) have been successfully prepared by directional solidification in an optical floating zone furnace. Microstructure analysis and phases identification of the alloys were examined by X-ray diffraction (XRD), Electro Probe Micro Analyzer (EPMA) and Energy Disperse Spectroscopy (EDS). Fracture toughness specimens without pre-crack were prepared, room temperature fracture toughness of alloys was tested by three-point bending method, and fracture mechanism was studied. The results showed that with increasing Si content, Nb5Si3 phase gradually increased and the phase transformed from γ-Nb5Si3 to the stable α-Nb5Si3 phase and β-Nb5Si3 phase. There appeared the Ti-rich Nb5Si3 phase when the Si content is 16 at%. In addition, more micro-cracks generated in the Ti-rich Nb5Si3 phase, which seriously affected room temperature fracture toughness of the alloys.

  17. The GEO-HF project

    NASA Astrophysics Data System (ADS)

    Willke, B.; Ajith, P.; Allen, B.; Aufmuth, P.; Aulbert, C.; Babak, S.; Balasubramanian, R.; Barr, B. W.; Berukoff, S.; Bunkowski, A.; Cagnoli, G.; Cantley, C. A.; Casey, M. M.; Chelkowski, S.; Chen, Y.; Churches, D.; Cokelaer, T.; Colacino, C. N.; Crooks, D. R. M.; Cutler, C.; Danzmann, K.; Dupuis, R. J.; Elliffe, E.; Fallnich, C.; Franzen, A.; Freise, A.; Gholami, I.; Goßler, S.; Grant, A.; Grote, H.; Grunewald, S.; Harms, J.; Hage, B.; Heinzel, G.; Heng, I. S.; Hepstonstall, A.; Heurs, M.; Hewitson, M.; Hild, S.; Hough, J.; Itoh, Y.; Jones, G.; Jones, R.; Huttner, S. H.; Kötter, K.; Krishnan, B.; Kwee, P.; Lück, H.; Luna, M.; Machenschalk, B.; Malec, M.; Mercer, R. A.; Meier, T.; Messenger, C.; Mohanty, S.; Mossavi, K.; Mukherjee, S.; Murray, P.; Newton, G. P.; Papa, M. A.; Perreur-Lloyd, M.; Pitkin, M.; Plissi, M. V.; Prix, R.; Quetschke, V.; Re, V.; Regimbau, T.; Rehbein, H.; Reid, S.; Ribichini, L.; Robertson, D. I.; Robertson, N. A.; Robinson, C.; Romano, J. D.; Rowan, S.; Rüdiger, A.; Sathyaprakash, B. S.; Schilling, R.; Schnabel, R.; Schutz, B. F.; Seifert, F.; Sintes, A. M.; Smith, J. R.; Sneddon, P. H.; Strain, K. A.; Taylor, I.; Taylor, R.; Thüring, A.; Ungarelli, C.; Vahlbruch, H.; Vecchio, A.; Veitch, J.; Ward, H.; Weiland, U.; Welling, H.; Wen, L.; Williams, P.; Winkler, W.; Woan, G.; Zhu, R.

    2006-04-01

    The GEO 600 gravitational wave detector uses advanced technologies including signal recycling and monolithic fused-silica suspensions to achieve a sensitivity close to the kilometre scale LIGO and VIRGO detectors. As soon as the design sensitivity of GEO 600 is reached, the detector will be operated as part of the worldwide network to acquire data of scientific interest. The limited infrastructure at the GEO site does not allow for a major upgrade of the detector. Hence the GEO collaboration decided to improve the sensitivity of the GEO detector by small sequential upgrades some of which will be tested in prototypes first. The development, test and installation of these upgrades are named 'The GEO-HF Project.' This paper describes the upgrades considered in the GEO-HF project as well as their scientific reasons. We will describe the changes in the GEO 600 infrastructure and the prototype work that is planned to support these upgrades. Finally, we will point to some laboratory research that identifies new technologies or optical configurations that might undergo a transition into detector subsystems within the GEO-HF project.

  18. Formation of amorphous alloys on 4H-SiC with NbNi film using pulsed-laser annealing

    NASA Astrophysics Data System (ADS)

    De Silva, Milantha; Ishikawa, Seiji; Miyazaki, Takamichi; Kikkawa, Takamaro; Kuroki, Shin-Ichiro

    2016-07-01

    Amorphous alloys containing Ni-Si-Nb-C were formed on 4H-SiC creating a low resistance Ohmic contact electrode. In a conventional nickel silicide (NiSi) electrode on SiC, a carbon agglomeration at the silicide/SiC interface occurs, and contact resistance between NiSi and SiC substrate becomes larger. For carbon agglomeration suppression, nanosecond non-equilibrium laser annealing was introduced, and to form metal carbides, carbon-interstitial type metals Nb and Mo were introduced. Ni, Nb, Mo, Nb/Ni, Mo/Ni multilayer contacts, and NbNi mixed contact were formed on the C-face side of n-type 4H-SiC wafers. The electrical contact properties were investigated after a 45 ns pulse laser annealing in N2 ambient. As a result, with NbNi film, an amorphous alloy with Ni-Si-Nb-C was formed, and a low specific contact resistance of 5.3 × 10-4 Ω cm2 was realized.

  19. Clinical trials update from the American Heart Association meeting 2010: EMPHASIS-HF, RAFT, TIM-HF, Tele-HF, ASCEND-HF, ROCKET-AF, and PROTECT.

    PubMed

    Cleland, John G F; Coletta, Alison P; Buga, Laszlo; Antony, Renjith; Pellicori, Pierpaolo; Freemantle, Nick; Clark, Andrew L

    2011-04-01

    This article provides information and a commentary on key trials relevant to the pathophysiology, prevention, and treatment of heart failure presented at the annual meeting of the American Heart Association held in Chicago in 2010. Unpublished reports should be considered as preliminary, since analyses may change in the final publication. In patients with mild heart failure (HF), EMPHASIS-HF showed that the addition of eplerenone to standard therapy was well tolerated and reduced both the risk of death and hospitalization. The addition of cardiac resynchronization therapy to implantable cardioverter defibrillator (ICD) therapy reduced the incidence of all-cause mortality and HF hospitalizations in patients with NYHA class II-III HF compared with ICD alone in RAFT. Telemonitoring failed to improve outcome compared with a high standard of conventional care in patients with chronic HF (TIM-HF study) and a telephone-based interactive voice response system failed to improve outcome in patients recently hospitalized for HF (Tele-HF study). ASCEND-HF suggested that nesiritide was ineffective but safe in patients with acute decompensated HF. ROCKET-AF suggests that the factor-Xa inhibitor rivaroxaban may be as effective as warfarin in patients with atrial fibrillation. The PROTECT study provided more data to suggest that amino-terminal B-type natriuretic peptide guided therapy may be beneficial in patients with left ventricular systolic dysfunction. PMID:21436363

  20. Origin of high thermoelectric performance of FeNb1−xZr/HfxSb1−ySny alloys: A first-principles study

    PubMed Central

    Zhang, Xiwen; Wang, Yuanxu; Yan, Yuli; Wang, Chao; Zhang, Guangbiao; Cheng, Zhenxiang; Ren, Fengzhu; Deng, Hao; Zhang, Jihua

    2016-01-01

    The previous experimental work showed that Hf- or Zr-doping has remarkably improved the thermoelectric performance of FeNbSb. Here, the first-principles method was used to explore the possible reason for such phenomenon. The substitution of X (Zr/Hf) atoms at Nb sites increases effective hole-pockets, total density of states near the Fermi level (EF), and hole mobility to largely enhance electrical conductivity. It is mainly due to the shifting the EF to lower energy and the nearest Fe atoms around X atoms supplying more d-states to hybrid with X d-states at the vicinity of the EF. Moreover, we find that the X atoms indirectly affect the charge distribution around Nb atoms via their nearest Fe atoms, resulting in the reduced energy difference in the valence band edge, contributing to enhanced Seebeck coefficients. In addition, the further Bader charge analysis shows that the reason of more holes by Hf-doping than Zr in the experiment is most likely derived from Hf atoms losing less electrons and the stronger hybridization between Hf atoms and their nearest Fe atoms. Furthermore, we predict that Hf/Sn co-doping may be an effective strategy to further optimize the thermoelectric performance of half-Heusler (HH) compounds. PMID:27604826

  1. Origin of high thermoelectric performance of FeNb1-xZr/HfxSb1-ySny alloys: A first-principles study.

    PubMed

    Zhang, Xiwen; Wang, Yuanxu; Yan, Yuli; Wang, Chao; Zhang, Guangbiao; Cheng, Zhenxiang; Ren, Fengzhu; Deng, Hao; Zhang, Jihua

    2016-01-01

    The previous experimental work showed that Hf- or Zr-doping has remarkably improved the thermoelectric performance of FeNbSb. Here, the first-principles method was used to explore the possible reason for such phenomenon. The substitution of X (Zr/Hf) atoms at Nb sites increases effective hole-pockets, total density of states near the Fermi level (EF), and hole mobility to largely enhance electrical conductivity. It is mainly due to the shifting the EF to lower energy and the nearest Fe atoms around X atoms supplying more d-states to hybrid with X d-states at the vicinity of the EF. Moreover, we find that the X atoms indirectly affect the charge distribution around Nb atoms via their nearest Fe atoms, resulting in the reduced energy difference in the valence band edge, contributing to enhanced Seebeck coefficients. In addition, the further Bader charge analysis shows that the reason of more holes by Hf-doping than Zr in the experiment is most likely derived from Hf atoms losing less electrons and the stronger hybridization between Hf atoms and their nearest Fe atoms. Furthermore, we predict that Hf/Sn co-doping may be an effective strategy to further optimize the thermoelectric performance of half-Heusler (HH) compounds. PMID:27604826

  2. Lattice dynamics and low-frequency excitations of transition-metal hydrides:NbD/sub x/, NbH/sub x/, and TaD/sub x/

    SciTech Connect

    Shapiro, S.M.; Richter, D.; Noda, Y.; Birnbaum, H.

    1981-02-15

    Phonon dispersion curves have been measured on single crystals of NbD/sub 0.85/ along the (100), (011), and (111) directions. The dispersion curves of the ..cap alpha..' phase of NbD/sub 0.85/ at T=160 /sup 0/C were fit with a Born--von Karman model of the interatomic force constants out to the seventh neighbors. From these constants the acoustic-phonon density of states is calculated. The results are compared with previous measurements on NbD/sub x/ with x=0.45, x=0, and with the Nb-Mo system. A new dispersionless excitation is observed in NbD/sub 0.85/ at h..omega..=18.4 meV. A similar feature is observed in NbH/sub 0.82/ at h..omega..=19.0 meV and in TaD/sub 0.78/ at h..omega..=15.0 meV. The linewidth of this excitation in NbD/sub 0.85/ decreases as the ..beta.. phase is entered and its position shifts slightly to higher energies. A detailed examination of the dispersion curves within the ..beta.. phase reveals interaction between the acoustic modes and this dispersionless excitation. Possible origins of this new feature are discussed. Also observed is an anomalous broadening of the (110) zone-boundary LA phonon within the ..cap alpha..' phase.

  3. Lattice dynamics and low-frequency excitations of transition-metal hydrides: NbDx, NbHx, and TaDx

    NASA Astrophysics Data System (ADS)

    Shapiro, S. M.; Richter, D.; Noda, Y.; Birnbaum, H.

    1981-02-01

    Phonon dispersion curves have been measured on single crystals of NbD0.85 along the [100], [011], and [111] directions. The dispersion curves of the α' phase of NbD0.85 at T=160°C were fit with a Born-von Kármán model of the interatomic force constants out to the seventh neighbors. From these constants the acoustic-phonon density of states is calculated. The results are compared with previous measurements on NbDx with x=0.45, x=0, and with the Nb-Mo system. A new dispersionless excitation is observed in NbD0.85 at ℏω=18.4 meV. A similar feature is observed in NbH0.82 at ℏω=19.0 meV and in TaD0.78 at ℏω=15.0 meV. The linewidth of this excitation in NbD0.85 decreases as the β phase is entered and its position shifts slightly to higher energies. A detailed examination of the dispersion curves within the β phase reveals interaction between the acoustic modes and this dispersionless excitation. Possible origins of this new feature are discussed. Also observed is an anomalous broadening of the [110] zone-boundary LA phonon with the α' phase.

  4. The initial abundance and distribution of 92Nb in the Solar System

    NASA Astrophysics Data System (ADS)

    Iizuka, Tsuyoshi; Lai, Yi-Jen; Akram, Waheed; Amelin, Yuri; Schönbächler, Maria

    2016-04-01

    Niobium-92 is an extinct proton-rich nuclide, which decays to 92Zr with a half-life of 37 Ma. This radionuclide potentially offers a unique opportunity to determine the timescales of early Solar System processes and the site(s) of nucleosynthesis for p-nuclei, once its initial abundance and distribution in the Solar System are well established. Here we present internal Nb-Zr isochrons for three basaltic achondrites with known U-Pb ages: the angrite NWA 4590, the eucrite Agoult, and the ungrouped achondrite Ibitira. Our results show that the relative Nb-Zr isochron ages of the three meteorites are consistent with the time intervals obtained from the Pb-Pb chronometer for pyroxene and plagioclase, indicating that 92Nb was homogeneously distributed among their source regions. The Nb-Zr and Pb-Pb data for NWA 4590 yield the most reliable and precise reference point for anchoring the Nb-Zr chronometer to the absolute timescale: an initial 92Nb/93Nb ratio of (1.4 ± 0.5) ×10-5 at 4557.93 ± 0.36 Ma, which corresponds to a 92Nb/93Nb ratio of (1.7 ± 0.6) ×10-5 at the time of the Solar System formation. On the basis of this new initial ratio, we demonstrate the capability of the Nb-Zr chronometer to date early Solar System objects including troilite and rutile, such as iron and stony-iron meteorites. Furthermore, we estimate a nucleosynthetic production ratio of 92Nb to the p-nucleus 92Mo between 0.0015 and 0.035. This production ratio, together with the solar abundances of other p-nuclei with similar masses, can be best explained if these light p-nuclei were primarily synthesized by photodisintegration reactions in Type Ia supernovae.

  5. Mixed-Symmetry States in ^93Nb

    NASA Astrophysics Data System (ADS)

    McKay, C. J.; Bandyopadhyay, D.; Lesher, S. R.; Mynk, M.; Orce, J.; McEllistrem, M. T.; Yates, S. W.

    2003-10-01

    The neutron-proton version of the interacting boson model predicts the existence of mixed-symmetry collective excitations. In an even-even nucleus the 2^+_ms state has the distinctive signature of a strong M1 transition to the first 2^+ state and a weak E2 transiton to the ground state. Previous investigations of the N=52 isotones ^92Zr, ^94Mo and ^96Ru have have led to the identification of mixed-symmetry states. It is expected that odd-A nuclei will also display states with mixed-symmetry character. Therefore, excitation function and angular distibution measurements have been performed on ^93Nb, the lone stable odd-A N=52 isotone, using the (n,n^'γ) reaction at the University of Kentucky. Lifetimes were determined with the Doppler-shift attenuation method. This work was supported by the U.S. National Science Foundation under grant No. PHY-0098813

  6. Infrared light gated MoS₂ field effect transistor.

    PubMed

    Fang, Huajing; Lin, Ziyuan; Wang, Xinsheng; Tang, Chun-Yin; Chen, Yan; Zhang, Fan; Chai, Yang; Li, Qiang; Yan, Qingfeng; Chan, H L W; Dai, Ji-Yan

    2015-12-14

    Molybdenum disulfide (MoS₂) as a promising 2D material has attracted extensive attentions due to its unique physical, optical and electrical properties. In this work, we demonstrate an infrared (IR) light gated MoS₂ transistor through a device composed of MoS₂ monolayer and a ferroelectric single crystal Pb(Mg(1/3)Nb(2/3))O₃-PbTiO₃ (PMN-PT). With a monolayer MoS₂ onto the top surface of (111) PMN-PT crystal, the drain current of MoS₂ channel can be modulated with infrared illumination and this modulation process is reversible. Thus, the transistor can work as a new kind of IR photodetector with a high IR responsivity of 114%/Wcm⁻². The IR response of MoS₂ transistor is attributed to the polarization change of PMN-PT single crystal induced by the pyroelectric effect which results in a field effect. Our result promises the application of MoS₂ 2D material in infrared optoelectronic devices. Combining with the intrinsic photocurrent feature of MoS₂ in the visible range, the MoS₂ on ferroelectric single crystal may be sensitive to a broadband wavelength of light. PMID:26698982

  7. The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

    NASA Astrophysics Data System (ADS)

    Zha, Xian-Hu; Huang, Qing; He, Jian; He, Heming; Zhai, Junyi; Francisco, Joseph S.; Du, Shiyu

    2016-06-01

    With the growing interest in low dimensional materials, MXenes have also attracted considerable attention recently. In this work, the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes are investigated using first-principles calculations. Hf2CO2 is determined to exhibit a thermal conductivity better than MoS2 and phosphorene. The room-temperature thermal conductivity along the armchair direction is determined to be 86.25~131.2 Wm‑1 K‑1 with a flake length of 5~100 μm. The room temperature thermal expansion coefficient of Hf2CO2 is 6.094 × 10‑6 K‑1, which is lower than that of most metals. Moreover, Hf2CO2 is determined to be a semiconductor with a band gap of 1.657 eV and to have high and anisotropic carrier mobility. At room temperature, the Hf2CO2 hole mobility in the armchair direction (in the zigzag direction) is determined to be as high as 13.5 × 103 cm2V‑1s‑1 (17.6 × 103 cm2V‑1s‑1). Thus, broader utilization of Hf2CO2, such as the material for nanoelectronics, is likely. The corresponding thermal and electrical properties of Ti2CO2 and Zr2CO2 are also provided. Notably, Ti2CO2 presents relatively lower thermal conductivity but much higher carrier mobility than Hf2CO2. According to the present results, the design and application of MXene based devices are expected to be promising.

  8. The thermal and electrical properties of the promising semiconductor MXene Hf2CO2.

    PubMed

    Zha, Xian-Hu; Huang, Qing; He, Jian; He, Heming; Zhai, Junyi; Francisco, Joseph S; Du, Shiyu

    2016-01-01

    With the growing interest in low dimensional materials, MXenes have also attracted considerable attention recently. In this work, the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes are investigated using first-principles calculations. Hf2CO2 is determined to exhibit a thermal conductivity better than MoS2 and phosphorene. The room-temperature thermal conductivity along the armchair direction is determined to be 86.25~131.2 Wm(-1) K(-1) with a flake length of 5~100 μm. The room temperature thermal expansion coefficient of Hf2CO2 is 6.094 × 10(-6) K(-1), which is lower than that of most metals. Moreover, Hf2CO2 is determined to be a semiconductor with a band gap of 1.657 eV and to have high and anisotropic carrier mobility. At room temperature, the Hf2CO2 hole mobility in the armchair direction (in the zigzag direction) is determined to be as high as 13.5 × 10(3) cm(2)V(-1)s(-1) (17.6 × 10(3) cm(2)V(-1)s(-1)). Thus, broader utilization of Hf2CO2, such as the material for nanoelectronics, is likely. The corresponding thermal and electrical properties of Ti2CO2 and Zr2CO2 are also provided. Notably, Ti2CO2 presents relatively lower thermal conductivity but much higher carrier mobility than Hf2CO2. According to the present results, the design and application of MXene based devices are expected to be promising. PMID:27302597

  9. The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

    PubMed Central

    Zha, Xian-Hu; Huang, Qing; He, Jian; He, Heming; Zhai, Junyi; Francisco, Joseph S.; Du, Shiyu

    2016-01-01

    With the growing interest in low dimensional materials, MXenes have also attracted considerable attention recently. In this work, the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes are investigated using first-principles calculations. Hf2CO2 is determined to exhibit a thermal conductivity better than MoS2 and phosphorene. The room-temperature thermal conductivity along the armchair direction is determined to be 86.25~131.2 Wm−1 K−1 with a flake length of 5~100 μm. The room temperature thermal expansion coefficient of Hf2CO2 is 6.094 × 10−6 K−1, which is lower than that of most metals. Moreover, Hf2CO2 is determined to be a semiconductor with a band gap of 1.657 eV and to have high and anisotropic carrier mobility. At room temperature, the Hf2CO2 hole mobility in the armchair direction (in the zigzag direction) is determined to be as high as 13.5 × 103 cm2V−1s−1 (17.6 × 103 cm2V−1s−1). Thus, broader utilization of Hf2CO2, such as the material for nanoelectronics, is likely. The corresponding thermal and electrical properties of Ti2CO2 and Zr2CO2 are also provided. Notably, Ti2CO2 presents relatively lower thermal conductivity but much higher carrier mobility than Hf2CO2. According to the present results, the design and application of MXene based devices are expected to be promising. PMID:27302597

  10. Surface treatment, corrosion behavior, and apatite-forming ability of Ti-45Nb implant alloy.

    PubMed

    Gostin, Petre F; Helth, Arne; Voss, Andrea; Sueptitz, Ralph; Calin, Mariana; Eckert, Jürgen; Gebert, Annett

    2013-02-01

    The low modulus β-type Ti-45Nb alloy is a promising new implant alloy due to its excellent mechanical biocompatibility and composition of non-toxic elements. The effect of surface treatments on the evolution of controlled topography and roughness was investigated by means of scanning electron microscopy and optical profilometry. Severe mechanical treatments, for example sand-blasting, or etching treatments in strongly oxidizing acidic solutions, like HF:HNO(3) (4:1) or H(2)SO(4):H(2)O(2) (1:1) piranha solution were found to be very effective. In particular, the latter generates a nanopatterned surface topography which is expected to be promising for the stimulation of bone tissue growth. Compared to Ti and Ti-6Al-4V, the β-type Ti-45Nb alloy requires significantly longer etching durations due to the high chemical stability of Nb. Severe surface treatments alter the passive film properties, but do not deteriorate the outstanding corrosion resistance of the Ti-45Nb alloy in synthetic body fluid environments. The Ti-45Nb appears to have a lower apatite-formation ability compared to Ti. Etching with H(2)SO(4):H(2)O(2) (1:1) piranha solution inhibits apatite formation on Ti, but not on Ti-45Nb. PMID:23166048