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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. A three-dimensional extended Sb network in the metallic antimonides (M',Ti)5Sb8 (M' = Zr, Hf, Nb, Mo).

    PubMed

    Kleinke, H

    2001-01-01

    (M',Ti)5Sb8 was prepared from the melt by arc-melting suitable mixtures of Ti, TiSb2, and M'Sb2, respectively. This phase exists at least with M' = Zr, Hf, Nb, and Mo. A significant phase range for Zr delta Ti5 - delta Sb8 was found to be within 1.10(8) < or = delta < or = 3.9(3). All (M',Ti)5Sb8 representatives investigated occur in the same, yet hitherto unknown structure type, as determined by single-crystal analyses. E.g., the lattice dimensions of Zr delta Ti5 - delta Sb8 range from a = 654.49(3) pm, c = 2662.4(2) pm for delta = 1.10(8) to a = 671.06(6), c = 2679.7(4) pm for delta = 3.9(3) (space group I4(1)22, No. 98, Z = 4). The three chemically inequivalent metal sites are statistically occupied by different mixtures of the M atoms M' and Ti, included in a three-dimensional network of Sb atoms on 6- to 8-fold Sb coordinated positions. Sb-Sb bonds of intermediate lengths occur in addition to the predominating heteronuclear M-Sb bonds. Physical property measurements of (Zr,Ti)5Sb8 reveal these phases being metallic exhibiting specific resistances of several m omega.cm and a small Seebeck coefficient at room temperature, in agreement with the results of the electronic structure calculations on the LMTO and extended Hückel levels. The calculations indicate a possible change to semiconducting properties by heavy doping.

  3. Direct ICP-MS determination of trace and ultratrace elements in geological materials after decomposition in a microwave oven. Part II. Quantitation of Ba, Cs, Ga, Hf, In, Mo, Nb, Pb, Rb, Sn, Sr, Ta and Tl.

    PubMed

    Gupta, J G; Bertrand, N B

    1995-12-01

    A new method has been developed for the rapid determination of traces of Ba, Cs, Ga, Hf, In, Mo, Nb, Pb, Rb, Sn, Sr, Ta and Tl in silicate rocks and lake, stream and river sediments. The method involved dissolution of samples in a microwave oven by heating in a pressure decomposition Teflon vessel with a mixture of HF + HNO(3) + HCl + H(3)BO(3) + EDTA followed by direct multielement determination using inductively coupled plasma-mass spectrometry (ICP MS ). The method is faster than conventional dissolution of samples by open vessel acid digestion and fusion and determination by instrumental methods. The accuracy and precision of the developed method were tested by replicate analyses of a number of international geochemical reference samples of established trace element contents. Satisfactory correlation with the "recommended" or "consensus" values was found and recoveries were in most cases 95-100%. New values for Ga, In, Nb and Tl in several international geochemical reference materials are first reported in this paper.

  4. 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. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  5. Effect of Li/Nb Ratio on Growth and Spectrometric Characterization of Hf:Fe:LiNbO3 Crystals

    NASA Astrophysics Data System (ADS)

    Dai, Li; Wu, Shi-Ping; Guo, Jing-Jie; Xu, Chao; Su, Yan-Qing; Xu, Yu-Heng

    Hf:Fe:LiNbO3 crystals were grown by the Czochralski technique with various ratios of Li/Nb = 0.946, 1.05, 1.20 and 1.38 in the melt. The crystal composition and defect structure were analyzed by XRD, UV-Vis and IR spectroscopy. The results show that the threshold concentration of Hf in LiNbO3 crystals decrease with the increasing of the Li/Nb ratio; when the Li/Nb ratio is 1.05, the threshold concentration of Hf is less than 2 mol%, largely under the threshold concentration of Hf ions in congruent Hf:Fe:LiNbO3 crystal (4 mol).1-3 With the increase of Li/Nb, Hf ions first replace the Nb4+ Li; when the concentration of Hf ions is higher than the threshold value, Hf ions occurs on normal Nb and Li sites.

  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.

  8. In vitro cytotoxicity and hemocompatibility studies of Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf biomedical shape memory alloys.

    PubMed

    Wang, B L; Li, L; Zheng, Y F

    2010-08-01

    The in vitro cytotoxicity and hemocompatibility of the Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf biomedical shape memory alloys (SMAs) were investigated by cell culture (L-929 fibroblast cell), hemolytic test and platelet adhesion test, with CP Ti as a reference material. The cytotoxicity test indicates that all the Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf SMAs show over 94% cell viability for different incubation times (2, 4 and 7 days) in comparison with a negative control and CP Ti. The cell morphology observation shows good polygon-like adherent growth and proliferation of L-929 in the extracts of all the test samples and CP Ti. These results suggest excellent cytocompatibility for the Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf SMAs. The hemolytic test reveals that the hemolysis ratios of the Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf alloys are far less than 5%, so they cannot give rise to acute hemolysis. The platelet morphology observation shows almost the same adhered platelet morphology and activation ratio for the test samples in comparison with CP Ti, except the Ti-22Nb-6Hf alloy, which shows a lower activation ratio of platelets, indicating excellent blood compatibility. Therefore, it is proposed that the Ti-Nb, Ti-Nb-Zr and Ti-Nb-Hf SMAs will be candidates to replace Ti-Ni for biomedical applications.

  9. Synthesis of amorphous alloys and amorphous-crystalline composites in the Cu-Nb-Hf system by ion beam mixing

    SciTech Connect

    Luo, S. Y.; Cui, Y. Y.; Wang, T. L.; Ding, N.; Li, J. H.; Liu, B. X.

    2011-06-15

    Seven sets of Cu-Nb-Hf multilayered films were designed and prepared with the overall compositions of Cu{sub 21}Nb{sub 65}Hf{sub 14}, Cu{sub 33}Nb{sub 49}Hf{sub 18}, Cu{sub 34}Nb{sub 34}Hf{sub 32}, Cu{sub 34}Nb{sub 10}Hf{sub 56}, Cu{sub 50}Nb{sub 23}Hf{sub 27}, Cu{sub 58}Nb{sub 10}Hf{sub 32}, and Cu{sub 70}Nb{sub 8}Hf{sub 22}, and an ion beam mixing experiment was then conducted using 200 keV xenon ions. It is found that the Cu-Nb-Hf system is a metallic glass forming one, and the single amorphous alloys could be synthesized in the Cu-Nb-based alloys with less than 18 at.% of Hf as a third addition. Also, when the Hf concentration is greater than 18 at.%, i.e., at the compositions of Cu{sub 34}Nb{sub 34}Hf{sub 32}, Cu{sub 34}Nb{sub 10}Hf{sub 56}, Cu{sub 50}Nb{sub 23}Hf{sub 27}, Cu{sub 58}Nb{sub 10}Hf{sub 32}, and Cu{sub 70}Nb{sub 8}Hf{sub 22}, ion beam mixing resulted in the formation of amorphous-crystalline composites, which might have better mechanical properties than single-phase glassy alloys. In addition, a detailed discussion was presented for the formation mechanism of the amorphous alloys and amorphous-crystalline composites.

  10. 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.

  11. Low modulus Ti-Nb-Hf alloy for biomedical applications.

    PubMed

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

    2014-09-01

    β-Type titanium alloys with a low elastic modulus are a potential strategy to reduce stress shielding effect and to enhance bone remodeling in implants used to substitute failed hard tissue. For biomaterial application, investigation on the mechanical behavior, the corrosion resistance and the cell response is required. The new Ti25Nb16Hf alloy was studied before and after 95% cold rolling (95% C.R.). The mechanical properties were determined by tensile testing and its corrosion behavior was analyzed by potentiostatic equipment in Hank's solution at 37°C. The cell response was studied by means of cytotoxicity evaluation, cell adhesion and proliferation measurements. The stress-strain curves showed the lowest elastic modulus (42GPa) in the cold worked alloy and high tensile strength, similar to that of Ti6Al4V. The new alloy exhibited better corrosion resistance in terms of open circuit potential (EOCP), but was similar in terms of corrosion current density (iCORR) compared to Ti grade II. Cytotoxicity studies revealed that the chemical composition of the alloy does not induce cytotoxic activity. Cell studies in the new alloy showed a lower adhesion and a higher proliferation compared to Ti grade II presenting, therefore, mechanical features similar to those of human cortical bone and, simultaneously, a good cell response.

  12. Air sensitivity of MoS2, MoSe2, MoTe2, HfS2, and HfSe2

    NASA Astrophysics Data System (ADS)

    Mirabelli, Gioele; McGeough, Conor; Schmidt, Michael; McCarthy, Eoin K.; Monaghan, Scott; Povey, Ian M.; McCarthy, Melissa; Gity, Farzan; Nagle, Roger; Hughes, Greg; Cafolla, Attilio; Hurley, Paul K.; Duffy, Ray

    2016-09-01

    A surface sensitivity study was performed on different transition-metal dichalcogenides (TMDs) under ambient conditions in order to understand which material is the most suitable for future device applications. Initially, Atomic Force Microscopy and Scanning Electron Microscopy studies were carried out over a period of 27 days on mechanically exfoliated flakes of 5 different TMDs, namely, MoS2, MoSe2, MoTe2, HfS2, and HfSe2. The most reactive were MoTe2 and HfSe2. HfSe2, in particular, showed surface protrusions after ambient exposure, reaching a height and width of approximately 60 nm after a single day. This study was later supplemented by Transmission Electron Microscopy (TEM) cross-sectional analysis, which showed hemispherical-shaped surface blisters that are amorphous in nature, approximately 180-240 nm tall and 420-540 nm wide, after 5 months of air exposure, as well as surface deformation in regions between these structures, related to surface oxidation. An X-ray photoelectron spectroscopy study of atmosphere exposed HfSe2 was conducted over various time scales, which indicated that the Hf undergoes a preferential reaction with oxygen as compared to the Se. Energy-Dispersive X-Ray Spectroscopy showed that the blisters are Se-rich; thus, it is theorised that HfO2 forms when the HfSe2 reacts in ambient, which in turn causes the Se atoms to be aggregated at the surface in the form of blisters. Overall, it is evident that air contact drastically affects the structural properties of TMD materials. This issue poses one of the biggest challenges for future TMD-based devices and technologies.

  13. Dopant occupancy and exposure energy in Hf:Nd:LiNbO3 crystal as a function of [Li]/[Nb] ratios

    NASA Astrophysics Data System (ADS)

    Dai, Li; Liu, Chunrui; Han, Xianbo; Yan, Zhehua; Tan, Chao; Wang, Luping; Xu, Yuheng

    2017-09-01

    A series of Hf: Nd: LiNbO3 crystals with various [Li]/[Nb] ratios ([Li]/[Nb] = 0.94, 1.05, 1.20, 1.38) in the melt were grown by conventional Czochralski technique. The distribution coefficients of Hf4+ and Nd3+ ions were recorded by an inductively coupled plasma-atomic emission spectrometer (ICP-AES). The effective distribution coefficient of Hf4+ is reduced and that of Nd3+ is increased with the increase of [Li]/[Nb] ratio in the melts. In all cases, the effective distribution coefficients is less than 1. The IR transmission spectroscopy of the Hf: Nd: LiNbO3 crystals were measured, getting the results that Hf: Yb: Ho: LiNbO3 crystals with 1.05 [Li]/[Nb] ratios was the stoichiometric. The optical damage resistance ability of Hf:Nd:LiNbO3 crystals were studied by light-induced scattering exposure energy flux threshold method and it increases with the increasing of [Li]/[Nb] ratios. When the [Li]/[Nb] ratio is 1.38 in the melt (the sample 4#), the exposure energy achieves 687.35 J/cm2, approximately 441 folds than that of the sample 1# ([Li]/[Nb] = 0.94) in magnitude.

  14. 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. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Effects of Mo/Si Ratio Inversion on the Oxidation of Nb-Cr-Mo-Si-B Alloys

    NASA Astrophysics Data System (ADS)

    Thomas, Kathryn S.; Varma, Shailendra K.

    2015-11-01

    The effect of inverting the Mo/Si ratio on the oxidation of two boron-containing alloys has been studied in air for temperatures 700-1400°C. The compositions of the alloys in atomic percent are Nb-25Cr-20Mo-15Si-15B, Nb-25Cr-20Mo-15Si-10B, Nb-25Cr-15Mo-20Si-10B, and Nb-25Cr-15Mo-20Si-15B hereafter referred to as 10B, 15B, 2010, and 2015 alloys, respectively. The as-cast microstructure of the alloys contains a mixture of NbCr2 Laves phase, Nb5Si3 silicide, and additionally Nb3Si silicide for the Mo/Si modified alloys. Primary oxides developed for all alloys are CrNbO4, Nb2O5, and SiO2. Improvements in high-temperature oxidation have been seen for the Mo/Si-modified 15B containing alloy under cyclic testing. Samples have shown similar oxidation responses in both long-term static and cyclic oxidation for 168-h exposures up to 1300°C. Characterization of oxide products was done by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy.

  16. Supporting data for senary refractory high-entropy alloy Cr x MoNbTaVW.

    PubMed

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

    2015-12-01

    This data article is related to the research paper entitled "senary refractory high-entropy alloy Cr x MoNbTaVW [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 Cr x MoNbTaVW samples; and the raw EDS scan data of the arc-melted Cr x MoNbTaVW samples are also provided.

  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. 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.

  19. Microstructure and Room Temperature Properties of a High-Entropy TaNbHfZrTi Alloy (Preprint)

    DTIC Science & Technology

    2011-07-01

    AFRL-RX-WP-TP-2011-4292 MICROSTRUCTURE AND ROOM TEMPERATURE PROPERTIES OF A HIGH-ENTROPY TaNbHfZrTi ALLOY (PREPRINT) O.N. Senkov, J.M...TEMPERATURE PROPERTIES OF A HIGH- ENTROPY TaNbHfZrTi ALLOY (PREPRINT) 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...article submitted to the Journal of Alloys and Compounds. 14. ABSTRACT A refractory alloy , Ta20Nb20Hf20Zr20Ti20, was produced by vacuum arc-melting

  20. 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.

  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

    SciTech Connect

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

    2015-09-03

    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. Here, 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. Senary refractory high-entropy alloy HfNbTaTiVZr

    DOE PAGES

    Gao, Michael C.; Zhang, B.; Yang, S.; ...

    2015-09-03

    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. Here, 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 bymore » both simulation and experimental results, the HEA formation rules are discussed.« less

  4. 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.

  5. 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.

  6. Energy for the interface system of (Nb, Mo)C/γ-Fe

    NASA Astrophysics Data System (ADS)

    Zhou, Yanyuan; Wang, Zhenqiang; Zhao, Jiaying; Leng, Zhe; Niu, Zhongyi; Guo, Chunhuan; Zhang, Zhengyan; Yang, Zhigang; Yao, Chunfa; Jiang, Fengchun

    2017-08-01

    The interfacial energies of MC/γ-Fe and formation energies of MC carbides have been investigated using first-principles calculations based on density functional theory (DFT). Results show that the replacement of Nb by Mo in the NbC lattice is unfavorable with respect to the formation energy. However, it reduces the lattice parameter of MC and decreases the σ_{{chemical}} (interfacial chemical energy) of MC/γ-Fe, thus favoring the formation of complex (Nb, Mo)C carbide. The substitution of Nb by Mo at the interface of MC/γ-Fe system promotes the hybridizations of Mo-1NNFe and C-1NNFe (or 2NNFe) (the first or second nearest neighboring Fe atoms), which leads to a decrease in σ_{{chemical}}. The influence of bond energy is estimated using the discrete lattice plane/nearest neighbor broken bond (DLP/NNBB) model. It is found that the reduced σ_{{chemical}} is attributed to the much smaller value of e_{{{{Fe-C}}}} - e_{{{{Mo-C}}}} (the difference between Fe-C and Mo-C interactions) compared to e_{{{{Fe-C}}}} - e_{{{{Nb-C}}}} (the difference between Fe-C and Nb-C interactions). The results obtained from the analysis of the precipitates in Nb- and Nb-Mo-bearing steels are in a good agreement with the calculations.

  7. Amorphous phase formation, spinodal decomposition, and fractal growth of nanocrystals in an immiscible Hf-Nb system studied by ion beam mixing and atomistic modeling

    SciTech Connect

    Tai, K. P.; He, X.; Liu, B. X.

    2008-04-15

    In the equilibrium immiscible Hf-Nb system characterized by a positive heat of formation, five Hf-Nb metallic glasses with overall compositions of Hf{sub 84}Nb{sub 16}, Hf{sub 65}Nb{sub 35}, Hf{sub 45}Nb{sub 55}, Hf{sub 38}Nb{sub 62}, and Hf{sub 20}Nb{sub 80} are obtained by ion beam mixing with properly designed Hf-Nb multilayered films, suggesting a glass-forming composition range of 16-80 at. % of Nb. For the special case of Hf{sub 45}Nb{sub 55} located at the ridge point on the convex free energy curve, dual-glass phases are formed at a dose of 2x10{sup 15} Xe{sup +}/cm{sup 2}, which results from a spinodal decomposition of the expected Hf{sub 45}Nb{sub 55} amorphous phase. With increasing irradiation dose, fractal growth of nanocrystals (around 20 nm) appears in the major glass phase and the dimension is determined to be from 1.70 to 1.84 within a dose range of (4-7)x10{sup 15} Xe{sup +}/cm{sup 2}. In atomistic modeling, a n-body Hf-Nb potential is first constructed with the aid of ab initio calculations. Applying the constructed potential, molecular dynamics simulations using the hcp and bcc solid solution models, reveals an intrinsic glass-forming range to be within 15-83 at. % of Nb, which is compatible with the ion beam mixing experiments. Moreover, the formation of the metallic glasses and the fractal growth in association with the amorphous spinodal decomposition are also discussed in terms of the atomic collision theory and cluster-diffusion-limited-aggregation model.

  8. Electronic properties and transistors of the NbS2-MoS2-NbS2 NR heterostructure

    NASA Astrophysics Data System (ADS)

    Liu, Qi; Ouyang, Fangping; Yang, Zhixiong; Peng, Shenglin; Zhou, Wenzhe; Zou, Hui; Long, Mengqiu; Pan, Jiangling

    2017-02-01

    Based on density function theory and nonequilibrium Green’s functions, we construct a NbS2-MoS2-NbS2 NR inplane heterostructure. The effects of channel length, width, chirality and vacancy of the heterostructure on transport properties are systematically investigated. The electron transport of the armchair-edge heterostructure device shows ballistic transport properties, while the zigzag-edge heterostructure device exhibits resonance tunneling transport properties. Further study indicates NbS2-MoS2-NbS2 field effect transistors (FETs) to be excellent ambipolar transistors. The FETs have high performances with current on/off ratio 4.7 × 105 and subthreshold swing 90 mV/decade with channel length m = 16 and width n = 6. Increases in the channel length sharply reduce the off-state current and enhance the performance of the devices significantly.

  9. 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.

  10. 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.

  11. Influence of Hf4+ ions concentration on the defect structure and exposure energy in Hf:Ho:LiNbO3

    NASA Astrophysics Data System (ADS)

    Dai, Li; Li, Dayong; Xu, Chao; Guo, Jingjie; Xu, Yuheng

    2013-02-01

    A series of Hf:Ho:LiNbO3 crystals with various levels of HfO2 doping were grown by the conventional Czochraski technique. The measurement of the Hf and Ho concentrations in the crystals was carried out with an inductively coupled plasma atomic emission spectrometer (ICP-OE/MS). The infrared (IR) spectrum was measured in order to analyze the defect structure of the crystals. The light-induced scattering was characterized quantitatively via the incident exposure energy. The results showed that the ability to resist the light-induced scattering was improved considerably with the increase in concentration of Hf4+, however, light-induced scattering resistance ability weakened as the concentration of Hf4+ surpasses the concentration to 8 mol%. The relationship between the defect structures and the light-induced scattering was discussed.

  12. In vitro performance assessment of new beta Ti-Mo-Nb alloy compositions.

    PubMed

    Neacsu, Patricia; Gordin, Doina-Margareta; Mitran, Valentina; Gloriant, Thierry; Costache, Marieta; Cimpean, Anisoara

    2015-02-01

    New β-titanium based alloys with low Young's modulus are currently required for the next generation of metallic implant materials to ensure good mechanical compatibility with bone. Several of these are representatives of the ternary Ti-Mo-Nb system. The aim of this paper is to assess the in vitro biological performance of five new low modulus alloy compositions, namely Ti12Mo, Ti4Mo32Nb, Ti6Mo24Nb, Ti8Mo16Nb and Ti10Mo8Nb. Commercially pure titanium (cpTi) was used as a reference material. Comparative studies of cell activity exhibited by MC3T3-E1 pre-osteoblasts over short- and long-term culture periods demonstrated that these newly-developed metallic substrates exhibited an increased biocompatibility in terms of osteoblast proliferation, collagen production and extracellular matrix mineralization. Furthermore, all analyzed biomaterials elicited an almost identical cell response. Considering that macrophages play a pivotal role in bone remodeling, the behavior of a monocyte-macrophage cell line, RAW 264.7, was also investigated showing a slightly lower inflammatory response to Ti-Mo-Nb biomaterials as compared with cpTi. Thus, the biological performances together with the superior mechanical properties recommend these alloys for bone implant applications.

  13. Microstructure and Elevated Temperature Properties of a Refractory TaNbHfZrTi Alloy

    DTIC Science & Technology

    2012-01-24

    Compression properties of a refractory multicomponent alloy, Ta20Nb20Hf20Zr20Ti20, were determined in the temperature range of 296-1473 K and strain rate range of 10(-1)-10(-5)s(-1). The properties were correlated with the microstructure developed during compression testing. The alloy was produced by vacuum arc melting, and it was hot isostatically pressed (HIPd) and homogenized at 1473 K for 24 h prior to testing. It had a single-phase body-centered cubic structure with the

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

    NASA Astrophysics Data System (ADS)

    Shang, Xiu; Shen, Jiang; Tian, Fuyang

    2016-10-01

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

  15. 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.

  16. 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

  17. 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.

  18. Mechanical Properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 Refractory High Entropy Alloys (Postprint)

    DTIC Science & Technology

    2011-05-01

    temper ature from 548 MPa at 1000 C to 405 MPa at 1600 C (Table 2).ublic release; distribution unlimited. Table 4 Composition (in wt.%) of Inconel 718 ...values of the refractory HEAs are much higher than those of Haynes 230 at all studied temperatures and higher than those of Inconel 718 at...than twice (for the Nb25Mo25 Ta25W25 alloy) or four times (for the V20Nb20Mo20Ta20W20 alloy) higher than for Inconel 718 or Haynes 230 at 1000 C. The

  19. 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.

  20. 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

  1. 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.

  2. Microstructure and Room Temperature Properties of a High-Entropy TaNbHfZrTi Alloy (Postprint)

    DTIC Science & Technology

    2014-04-01

    AND ROOM TEMPERATURE PROPERTIES OF A HIGH - ENTROPY TaNbHfZrTi ALLOY (POSTPRINT) 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM...is worth noting that, among all other high entropy alloys with the BCC structure produced so far, the Ta20Nb20Hf20Zr20Ti20 alloy has the highest RT...concentration of the matrix element (solvent) exceeds 60–70%, and these mechanisms may not be applicable to high - entropy alloys , where all elements are at

  3. 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.

  4. Design of (Nb, Mo)40Ti30Ni30 alloy membranes for combined enhancement of hydrogen permeability and embrittlement resistance.

    PubMed

    Li, Xinzhong; Liang, Xiao; Liu, Dongmei; Chen, Ruirun; Huang, Feifei; Wang, Rui; Rettenmayr, Markus; Su, Yanqing; Guo, Jingjie; Fu, Hengzhi

    2017-03-16

    The effect of substitution of Nb by Mo in Nb40Ti30Ni30 was investigated with respect to microstructural features and hydrogen dissolution, diffusion and permeation. As-cast Nb40-xMoxTi30Ni30 (x = 0, 5, 10) alloys consist of primary bcc-Nb phase and binary eutectic (bcc-Nb + B2-TiNi). The substitution of Nb by Mo reduces the hydrogen solubility in alloys, but may increase (x = 5) or decrease (x = 10) the apparent hydrogen diffusivity and permeability. As-cast Nb35Mo5Ti30Ni30 exhibits a combined enhancement of hydrogen permeability and embrittlement resistance as compared to Nb40Ti30Ni30. This work confirms that Mo is a desirable alloying element in Nb that can contribute to a reduction in hydrogen absorption and an increase in intrinsic hydrogen diffusion, thus improving embrittlement resistance with minimal permeability penalty.

  5. 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.

  6. 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.

  7. Oxidation of Nb particulate-reinforced MoSi sub 2

    SciTech Connect

    Meschter, P.J. )

    1991-01-01

    This paper reports on molybdenum disilicide (MoSi{sub 2}) which is a promising high-temperature material because of its moderate density (6.31 g cm{sup {minus}3}), high melting temperature (2020 {degrees}C), ductility above 900-1000{degrees} C related to its b.c.c.-like C11b crystal structure, and excellent high-temperature oxidation resistance. MoSi{sub 2} is brittle below 900-1000{degrees} C and hence must be reinforced to obtain acceptable low-temperature toughness. Addition of a ductile reinforcement such as Nb as wire or particulate has been shown to increase the ambient-temperature toughness of MoSi{sub 2}. Additions of Nb, which oxidizes rapidly to form non-protective Nb{sub 2}O{sub 5}, may degrade the oxidation resistance of an MoSi{sub 2}-matrix composite. The purpose of this research is to determine the effect of particulate Nb additions on the oxidation resistance of MoSi{sub 2} in the high-temperature regime ({ge}550{degrees} C), where a protective SiO{sub 2} product layer is formed on monolithic MoSi{sub 2}, and in the low-temperature regime (400-500{degrees} C), where Mo and Si oxidize simultaneously.

  8. Effect of Sn addition on the microstructure and superelasticity in Ti-Nb-Mo-Sn alloys.

    PubMed

    Zhang, D C; Yang, S; Wei, M; Mao, Y F; Tan, C G; Lin, J G

    2012-09-01

    Ti-7.5Nb-4Mo-xSn (x=0-4at%) alloys were developed as the biomedical materials. The effect of the Sn content on the microstructure and superelasticity of the alloys was investigated. It is found that Sn is a strong stabilizer of the β phase, which is effective in suppressing the formation of α″ and ω phases in the alloys. Moreover, the Sn addition has a significant impact on the mechanical properties of the alloys. With the increase of Sn addition, the yield stress of the alloys increase, but their elastic modulus, the fracture strength and the ductility decrease, and the deformation mode of the alloys changes from (322) twining to α″ transformation and then to slip. The Ti-7.5Nb-4Mo-1Sn and Ti-7.5Nb-4Mo-3Sn alloys exhibit a good superelasticity with a high σ(SIM) due to the relatively high athermal ω phases containing or the solution hardening at room temperature. Under the maximum strain of 5%, Ti-7.5Nb-4Mo-3Sn (at%) alloy exhibits higher super elastic stability than that of Ti-7.5Nb-4Mo-1Sn alloy. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. Microstructural control of FeCrAl alloys using Mo and Nb additions

    DOE PAGES

    Sun, Zhiqian; Bei, Hongbin; Yamamoto, Yukinori

    2017-08-14

    The effects of Mo and Nb additions on the microstructure and mechanical properties of two FeCrAl alloys were studied in this paper. Fine and uniform recrystallized grain structures (~ 20–30 μm) were achieved in both alloys through suitable annealing after warm-rolling. The formation of Fe2Nb-type Laves phase precipitates in the Nb-containing FeCrAl alloy effectively stabilized the deformed and recrystallized microstructures. The Mo-containing FeCrAl alloy exhibited strong γ texture fiber after annealing at 650–900 °C, whereas the annealed Nb-containing FeCrAl alloy had much weaker texture. Finally, both strength and ductility decreased as the grain size increased in both alloys.

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

    SciTech Connect

    Behrani, Vikas

    2004-01-01

    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/Nb5Si3 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.

  11. Ab initio study of AlxMoNbTiV high-entropy alloys.

    PubMed

    Cao, Peiyu; Ni, Xiaodong; Tian, Fuyang; Varga, Lajos K; Vitos, Levente

    2015-02-25

    The Al(x)MoNbTiV (x = 0-1.5) high-entropy alloys (HEAs) adopt a single solid-solution phase, having the body centered cubic (bcc) crystal structure. Here we employ the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation to investigate the equilibrium volume, elastic constants, and polycrystalline elastic moduli of Al(x)MoNbTiV HEAs. A comparison between the ab initio and experimental equilibrium volumes demonstrates the validity and accuracy of the present approach. Our results indicate that Al addition decreases the thermodynamic stability of the bcc structure with respect to face-centered cubic and hexagonal close packed lattices. For the elastically isotropic Al(0.4)MoNbTiV HEAs, the valence electron concentration (VEC) is about 4.82, which is slightly different from VEC ∼ 4.72 obtained for the isotropic Gum metals and refractory--HEAs.

  12. Electronic properties and transistors of the NbS2-MoS2-NbS2 nanoribbon heterostructure.

    PubMed

    Liu, Qi; OuYang, Fangping; Yang, Zhixiong; Peng, Shenglin; Zhou, Wenzhe; Zou, Hui; Long, Mengqiu; Pan, Jiangling

    2016-12-13

    Based on density function theory(DFT) and nonequilibrium Green's functions(NEGF), we construct a NbS2-MoS2-NbS2 nanoribbon inplane heterostructure. The effects of the channel length, width, chirality and vacancy of the heterostructure on the transport properties are systematically investigated. The electron transport of the armchair-edge heterostructure device shows ballistic transport properties, while the zigzag-edge heterostructure device exhibits resonance tunneling transport properties. Further study indicates the NbS2-MoS2-NbS2 field effect transistors(FETs) to be excellent ambipolar transistors. The FETs have high performances with current on/off ratio 4.7×10(5) and subthreshold swing 90mV/decade with the channel length m=16 and width n=6. The increase of the channel length will sharply reduce the off-state current and enhance the performances of the devices significantly. Copyright 2016 IOP Publishing Ltd.

  13. Electronic properties and transistors of the NbS2-MoS2-NbS2 NR heterostructure.

    PubMed

    Liu, Qi; Ouyang, Fangping; Yang, Zhixiong; Peng, Shenglin; Zhou, Wenzhe; Zou, Hui; Long, Mengqiu; Pan, Jiangling

    2017-01-11

    Based on density function theory and nonequilibrium Green's functions, we construct a NbS2-MoS2-NbS2 NR inplane heterostructure. The effects of channel length, width, chirality and vacancy of the heterostructure on transport properties are systematically investigated. The electron transport of the armchair-edge heterostructure device shows ballistic transport properties, while the zigzag-edge heterostructure device exhibits resonance tunneling transport properties. Further study indicates NbS2-MoS2-NbS2 field effect transistors (FETs) to be excellent ambipolar transistors. The FETs have high performances with current on/off ratio 4.7 × 10(5) and subthreshold swing 90 mV/decade with channel length m = 16 and width n = 6.  Increases in the channel length sharply reduce the off-state current and enhance the performance of the devices significantly.

  14. Microstructure and Oxidation Behavior of Cr/Mo Modified TiAl Alloy Containing High Nb

    NASA Astrophysics Data System (ADS)

    Jiang, Zhu-Hang; Zhao, Cheng-Zhi; Li, Wen-di; Zhang, He-Xin

    2017-06-01

    In this paper, the microstructure and oxidation behaviour of Ti-45Al-8Nb-0.2Si-0.5W-0.8B, Ti-45Al-8Nb-2Cr-0.2Si-0.5W-0.8B, Ti-45Al-8Nb-2Mo-0.2Si-0.5W-0.8B, Ti-45Al-8Nb-2Cr-2Mo-0.2Si-0.5W-0.8B were studied.The alloys were designed and fabricated via vacuum arc melting in the protection of argon shield. The oxidation experiments were carried out at 1073K for 200h in laboratory air. Microstructure evolution, elemental analysis as well as the composition distribution of the oxide scale were performed using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) technique, respectively. The results showed that the microstructure could be refined by adding of Cr and Mo to a smaller grain size.The heat treatment has a good impact on composition homogenization as well as the generation of γ-TiAl phase. The oxidation test shows that Cr and Mo modified alloy cannot improve the oxidation resistance of the alloy. The 0Cr2Mo alloy shows the poorest oxidation resistance in the three, while the Cr modified alloy can apparently slows down the oxidation rate after 50h, which owing to the formation of a compact oxidation scale.

  15. Microstructural control of Ti-Al-Mo-Nb alloy system with respect to variation of B

    NASA Astrophysics Data System (ADS)

    Kim, Minseok; Choi, Kwangsoo; Zhu, Jun; Zhang, Fan; Song, Youngbuem; Kim, Youngwon; Yi, Seonghoon; Park, Joon Sik

    2017-07-01

    In the current study, phase stability of Ti-Al-Mo-Nb alloys was investigated, and the effect of B addition was examined for cast alloys. The fabricated cast alloys were mainly composed of α2 / γ lamellar with a β phase, when they were heat treated at 1100 °C followed by air cooling, the alloy was composed of α2 / γ lamellar with γ+β necklace phase at the colony boundary for the Ti-45Al-3Mo-2Nb-1B alloy, and the colony size was refined to 20 μm. In order to identify the effect of the microstructures on mechanical strength, compressive tests were performed on the fabricated alloys of Ti-45Al-3Mo-2Nb and Ti-45Al-3Mo-2Nb-1B at room temperature and at 800 °C. The microstructural variations and phase stability were discussed in terms of pseudo-binary phase diagram calculated by Pandat software™.

  16. Enhancement of upconversion emission in Er:LiNbO3 by codoping with HfO2 under 1550 nm excitation

    NASA Astrophysics Data System (ADS)

    Qian, Yannan; Zhang, Zhengyu; Tang, Xunze; Ivanov, Maxim; Zhang, Haiyan; Wu, Qibai

    2017-08-01

    An increased red upconversion emission produced under excitation at 1550 nm was observed in hafnium and erbium co-doped lithium niobate (Hf (8 mol%)/Er:LiNbO3), which can be used to increase the photovoltaic efficiency of solar cells. Three 1550 nm photons were required to arouse the green and red emissions in Hfx(x= 2, 4, 6 mol%)/Er:LiNbO3, while the red emitting 4F9/2 state was populated by a hybrid two- and three-photon process in Hf(8 mol%)/Er:LiNbO3. The formation of Er3+ cluster sites (ErLi2+-ErNb2-) lead to an efficient cross relaxation process 4I13/2 + 4I13/2 → 4I15/2 + 4I9/2 and enhanced red emission in Hf(8 mol%)/Er:LiNbO3.

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

    SciTech Connect

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

    2009-06-01

    Several parameters involved in preparing the multi metal oxide (MMO) catalysts (Mo{sub 1}V{sub 0.3}Te{sub 0.23}Nb{sub 0.12}O{sub x}) 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, TeMo{sub 5}O{sub 16}, V{sub 0.95}Mo{sub 0.97}O{sub 5} and Mo{sub 5}O{sub 14} 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.

  18. Some Metallurgical Issues Concerning Austenite Conditioning in Nb-Ti and Nb-Mo Microalloyed Steels Processed by Near-Net-Shape Casting and Direct Rolling Technologies

    NASA Astrophysics Data System (ADS)

    López, Beatriz; Rodriguez-Ibabe, Jose M.

    2017-06-01

    As thin slab direct rolling technologies are moving to the production of higher quality steel grades, chemical compositions based on Nb-Ti and Nb-Mo become a good option. However, with the use of multiple microalloying additions, the as-cast austenite conditioning becomes more complex. This paper analyzes some of the microstructural features that should be taken into account during the as-cast austenite conditioning in Nb-Ti and Nb-Mo microalloyed steel grades. In the case of Nb-Ti grades, it has been observed that the process parameters during solidification and post-solidification steps affect the austenite evolution during hot rolling. This is due to the differences in the size and volume fraction of TiN particles that can be formed. Fine TiN precipitates have been shown to be able to delay recrystallization kinetics. Moreover, the solute drag effect of Ti cannot be ignored in the case of hyperstoichiometric Ti/N ratios. It is observed that Nb-Ti grades tend to have lower non-recrystallization temperatures compared to Nb grades, which means that pancaking of the austenite is more difficult for these steels. The opposite is observed for the Nb-Mo grades, although in both cases the behavior is affected by the nominal content of Nb.

  19. Some Metallurgical Issues Concerning Austenite Conditioning in Nb-Ti and Nb-Mo Microalloyed Steels Processed by Near-Net-Shape Casting and Direct Rolling Technologies

    NASA Astrophysics Data System (ADS)

    López, Beatriz; Rodriguez-Ibabe, Jose M.

    2016-08-01

    As thin slab direct rolling technologies are moving to the production of higher quality steel grades, chemical compositions based on Nb-Ti and Nb-Mo become a good option. However, with the use of multiple microalloying additions, the as-cast austenite conditioning becomes more complex. This paper analyzes some of the microstructural features that should be taken into account during the as-cast austenite conditioning in Nb-Ti and Nb-Mo microalloyed steel grades. In the case of Nb-Ti grades, it has been observed that the process parameters during solidification and post-solidification steps affect the austenite evolution during hot rolling. This is due to the differences in the size and volume fraction of TiN particles that can be formed. Fine TiN precipitates have been shown to be able to delay recrystallization kinetics. Moreover, the solute drag effect of Ti cannot be ignored in the case of hyperstoichiometric Ti/N ratios. It is observed that Nb-Ti grades tend to have lower non-recrystallization temperatures compared to Nb grades, which means that pancaking of the austenite is more difficult for these steels. The opposite is observed for the Nb-Mo grades, although in both cases the behavior is affected by the nominal content of Nb.

  20. Sm-Nd, Lu-Hf and Nb-Zr Constraints on the Early Differentiation of the Moon

    NASA Astrophysics Data System (ADS)

    Mezger, K.; Munker, C.; Scherer, E. E.

    2002-12-01

    The dominant chemical and mineralogical differentiation process on the Moon is most likely associated with the formation and subsequent crystallisation of a magma ocean. The major evidence in favour of the existence of a magma ocean is the ancient anorthositic crust that once covered the lunar surface. The complementary heavier minerals that crystallised as cumulates from the magma ocean must have included olivine, orthopyroxene, clinopyroxene, spinel, ilmenite, and possibly garnet. Partial melts from these differentiated silicate and oxide layers gave rise to younger mare basalts that now cover parts of the Moon's surface. Radioactive parent-daughter systems such as 147Sm-143Nd, 176Lu-176Hf and 92Nb-92Zr can provide important time constraints on early lunar differentiation processes, particularly if parent-daughter pairs are sufficiently fractionated during magmatic processes. Therefore we obtained Sm-Nd, Lu-Hf and Nb-Zr isotope data for a variety of well dated lunar samples including KREEP basalts, low and high-Ti mare basalts and lunar soils. 92Zr/90Zr and 96Zr/90Zr in mare basalts agree with the chondritic value within the analytical errors of +/-0.5 and +/-1.5 ɛ-units (2σ ), respectively. The absence of 92Zr-isotope anomalies and the presence of small 182W anomalies in mare basalts [1] confine the crystallisation age of the magma ocean to ca. 4.52 - 4.51 Ga (assuming initial 182Hf/180Hf of 1x10-4 and 92Nb/93Nb of 1x10-3). The initial ɛHf (ɛNd) range from -1.9 (-2.7) in the KREEP rocks to +16.6 (6.6) in high-Ti mare basalts. The initial Hf and Nd isotope ratios define two trends that deviate significantly from the terrestrial Hf-Nd array. The initial 176Hf-177Hf values for mare basalts (+7.3 to +16.6 ɛ) are consistent with the data from Beard et al. [2] (0 to +8 ɛ) using the revised 176Lu decay constant [3], but expand the known compositional range of mare basalts. The high ɛHf compared to the ɛNd in the low-Ti basalts requires that garnet played an

  1. 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.

  2. Strengthening mechanisms in Ti-Nb-Zr-Ta and Ti-Mo-Zr-Fe orthopaedic alloys.

    PubMed

    Banerjee, Rajarshi; Nag, Soumya; Stechschulte, John; Fraser, Hamish L

    2004-08-01

    The microstructural evolution and attendant strengthening mechanisms in two novel orthopaedic alloy systems, Ti-Nb-Zr-Ta and Ti-Mo-Zr-Fe, have been compared and contrasted in this paper. Specifically, the alloy compositions considered are Ti-34Nb-9Zr-8Ta and Ti-13Mo-7Zr-3Fe. In the homogenized condition, both alloys exhibited a microstructure consisting primarily of a beta matrix with grain boundary alpha precipitates and a low-volume fraction of intra-granular alpha precipitates. On ageing the homogenized alloys at 600 degrees C for 4 hr, both alloys exhibited the precipitation of refined scale secondary alpha precipitates homogeneously in the beta matrix. However, while the hardness of the Ti-Mo-Zr-Fe alloy marginally increased, that of the Ti-Nb-Zr-Ta alloy decreased substantially as a result of the ageing treatment. In order to understand this difference in the mechanical properties after ageing, TEM studies have been carried out on both alloys prior to and post the ageing treatment. The results indicate the existence of a metastable B2 ordering in the Ti-Nb-Zr-Ta alloy in the homogenized condition which is destroyed by the ageing treatment, consequently leading to a decrease in the hardness.

  3. 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.

  4. 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.

  5. Nb-doped Single Crystalline MoS2 Field Effect Transistor

    SciTech Connect

    Das, Saptarshi; Demarteau, Marcel; Roelofs, Andreas

    2015-04-27

    We report on the demonstration of a p-type, single crystalline, few layer MoS2 field effect transistor (FET) using Niobium (Nb) as the dopant. The doping concentration was extracted and determined to be similar to 3 x 10(19)/cm(3). We also report on bilayer Nb-doped MoS2 FETs with ambipolar conduction. We found that the current ON-OFF ratio of the Nb-doped MoS2 FETs changes significantly as a function of the flake thickness. We attribute this experimental observation to bulk-type electrostatic effect in ultra-thin MoS2 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. (C) 2015 AIP Publishing LLC.

  6. Surface Characterization, Corrosion Resistance and in Vitro Biocompatibility of a New Ti-Hf-Mo-Sn Alloy

    PubMed Central

    Ion, Raluca; Drob, Silviu Iulian; Ijaz, Muhammad Farzik; Vasilescu, Cora; Osiceanu, Petre; Gordin, Doina-Margareta; Cimpean, Anisoara; Gloriant, Thierry

    2016-01-01

    A new superelastic Ti-23Hf-3Mo-4Sn biomedical alloy displaying a particularly large recovery strain was synthesized and characterized in this study. Its native passive film is very thick (18 nm) and contains very protective TiO2, Ti2O3, HfO2, MoO2, and SnO2 oxides (XPS analysis). This alloy revealed nobler electrochemical behavior, more favorable values of the corrosion parameters and open circuit potentials in simulated body fluid in comparison with commercially pure titanium (CP-Ti) and Ti-6Al-4V alloy taken as reference biomaterials in this study. This is due to the favorable influence of the alloying elements Hf, Sn, Mo, which enhance the protective properties of the native passive film on alloy surface. Impedance spectra showed a passive film with two layers, an inner, capacitive, barrier, dense layer and an outer, less insulating, porous layer that confer both high corrosion resistance and bioactivity to the alloy. In vitro tests were carried out in order to evaluate the response of Human Umbilical Vein Endothelial Cells (HUVECs) to Ti-23Hf-3Mo-4Sn alloy in terms of cell viability, cell proliferation, phenotypic marker expression and nitric oxide release. The results indicate a similar level of cytocompatibility with HUVEC cells cultured on Ti-23Hf-3Mo-4Sn substrate and those cultured on the conventional CP-Ti and Ti-6Al-4V metallic materials. PMID:28773939

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

    NASA Astrophysics Data System (ADS)

    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.

    2010-04-01

    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 MF73- (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.

  8. 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.

  9. 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. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Direct Metal Deposition of Refractory High Entropy Alloy MoNbTaW

    NASA Astrophysics Data System (ADS)

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

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

  11. Microstructural Features Controlling Mechanical Properties in Nb-Mo Microalloyed Steels. Part II: Impact Toughness

    NASA Astrophysics Data System (ADS)

    Isasti, Nerea; Jorge-Badiola, Denis; Taheri, Mitra L.; Uranga, Pello

    2014-10-01

    The present paper is the final part of a two-part paper where the influence of coiling temperature on the final microstructure and mechanical properties of Nb-Mo microalloyed steels is described. More specifically, this second paper deals with the different mechanisms affecting impact toughness. A detailed microstructural characterization and the relations linking the microstructural parameters and the tensile properties have already been discussed in Part I. Using these results as a starting point, the present work takes a step forward and develops a methodology for consistently incorporating the effect of the microstructural heterogeneity into the existing relations that link the Charpy impact toughness to the microstructure. In conventional heat treatments or rolling schedules, the microstructure can be properly described by its mean attributes, and the ductile-brittle transition temperatures measured by Charpy tests can be properly predicted. However, when different microalloying elements are added and multiphase microstructures are formed, the influences of microstructural heterogeneity and secondary hard phases have to be included in a modified equation in order to accurately predict the DB transition temperature in Nb and Nb-Mo microalloyed steels.

  12. Phase Transformation Study in Nb-Mo Microalloyed Steels Using Dilatometry and EBSD Quantification

    NASA Astrophysics Data System (ADS)

    Isasti, Nerea; Jorge-Badiola, Denis; Taheri, Mitra L.; Uranga, Pello

    2013-08-01

    A complete microstructural characterization and phase transformation analysis has been performed for several Nb and Nb-Mo microalloyed low-carbon steels using electron backscattered diffraction (EBSD) and dilatometry tests. Compression thermomechanical schedules were designed resulting in the undeformed and deformed austenite structures before final transformation. The effects of microalloying additions and accumulated deformation were analyzed after CCT diagram development and microstructural quantification. The resulting microstructures ranged from polygonal ferrite and pearlite at slow cooling ranges, to a combination of quasipolygonal ferrite and granular ferrite for intermediate cooling rates, and finally, to bainitic ferrite with martensite for fast cooling rates. The addition of Mo promotes a shift in the CCT diagrams to lower transformation start temperatures. When the amount of Nb is increased, CCT diagrams show little variations for transformations from the undeformed austenite and higher initial transformation temperatures in the transformations from the deformed austenite. This different behavior is due to the effect of niobium on strain accumulation in austenite and its subsequent acceleration of transformation kinetics. This article shows the complex interactions between chemical composition, deformation, and the phases formed, as well as their effect on microstructural unit sizes and homogeneity.

  13. Magnetic ground state of the two isostructual polymeric quantum magnets <mo>[mo>Cu<mo>(HF2<mo>)mo>(pyrazine)>2<mo>]>SbF6 and <mo>[mo>Co<mo>(HF2<mo>)mo>(pyrazine)>2<mo>]>SbF6 investigated with neutron powder diffraction

    SciTech Connect

    Brambleby, J.; Goddard, P. A.; Johnson, R. D.; Liu, J.; Kaminski, D.; Ardavan, A.; Steele, A. J.; Blundell, S. J.; Lancaster, T.; Manuel, P.; Baker, P. J.; Singleton, J.; Schwalbe, S. G.; Spurgeon, P. M.; Tran, H. E.; Peterson, P. K.; Corbey, J. F.; Manson, J. L.

    2015-10-07

    The magnetic ground state of two isostructural coordination polymers, (i) the quasi-two-dimensional S=1/2 square-lattice antiferromagnet [Cu(HF2)(pyrazine)2]SbF6 and (ii) a related compound [Co(HF2)(pyrazine)2]SbF6, was examined with neutron powder diffraction measurements. We find that the ordered moments of the Heisenberg S=1/2 Cu(II) ions in [Cu(HF2)(pyrazine)2]SbF6 are 0.6(1)μb, while the ordered moments for the Co(II) ions in [Co(HF2)(pyrazine)2]SbF6 are 3.02(6)μb. For Cu(II), this reduced moment indicates the presence of quantum fluctuations below the ordering temperature. We also show from heat capacity and electron spin resonance measurements that due to the crystal electric field splitting of the S=3/2 Co(II) ions in [Co(HF2)(pyrazine)2]SbF6, this isostructual polymer also behaves as an effective spin-half magnet at low temperatures. Furthermore, the Co moments in [Co(HF2)(pyrazine)2]SbF6 show strong easy-axis anisotropy, neutron diffraction data, which do not support the presence of quantum fluctuations in the ground state, and heat capacity data, which are consistent with 2D or close to 3D spatial exchange anisotropy.

  14. Microstructural Features Controlling Mechanical Properties in Nb-Mo Microalloyed Steels. Part I: Yield Strength

    NASA Astrophysics Data System (ADS)

    Isasti, Nerea; Jorge-Badiola, Denis; Taheri, Mitra L.; Uranga, Pello

    2014-10-01

    Low carbon Nb-Mo microalloyed steels show interesting synergies between the "micro"-alloying elements when high strength-high toughness properties are required. Strain accumulation in austenite is enhanced, and therefore grain sizes are refined in the final microstructures. The presence of Mo facilitates the presence of non-polygonal phases, and this constituent modification induces an increment in strength through a substructure formation as well as through an increase in the dislocation density. Regarding fine precipitation and its strengthening effect, the mean size of NbC is reduced in the presence of Mo and their fraction increased, thus enhancing their contribution to yield strength. In this paper, a detailed characterization of the microstructural features of a series of microalloyed steels is described using the electron-backscattered diffraction technique. Mean crystallographic unit sizes, a grain boundary misorientation analysis, and dislocation density measurements are performed. Transmission electron microscopy is carried out to analyze the chemical composition of the precipitates and to estimate their volume fraction. In this first part, the contribution of different strengthening mechanisms to yield strength is evaluated and the calculated value is compared to tensile test results for different coiling temperatures and compositions.

  15. Effect of Nb Doping on Chemical Sensing Performance of Two-Dimensional Layered MoSe2.

    PubMed

    Choi, Sun Young; Kim, Yonghun; Chung, Hee-Suk; Kim, Ah Ra; Kwon, Jung-Dae; Park, Jucheol; Kim, Young Lae; Kwon, Se-Hun; Hahm, Myung Gwan; Cho, Byungjin

    2017-02-01

    Here, we report that Nb doping of two-dimensional (2D) MoSe2 layered nanomaterials is a promising approach to improve their gas sensing performance. In this study, Nb atoms were incorporated into a 2D MoSe2 host matrix, and the Nb doping concentration could be precisely controlled by varying the number of Nb2O5 deposition cycles in the plasma enhanced atomic layer deposition process. At relatively low Nb dopant concentrations, MoSe2 showed enhanced device durability as well as NO2 gas response, attributed to its small grains and stabilized grain boundaries. Meanwhile, an increase in the Nb doping concentration deteriorated the NO2 gas response. This might be attributed to a considerable increase in the number of metallic NbSe2 regions, which do not respond to gas molecules. This novel method of doping 2D transition metal dichalcogenide-based nanomaterials with metal atoms is a promising approach to improve the performance such as stability and gas response of 2D gas sensors.

  16. 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. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

  17. Proximity effect in Nb-Mo layered films: Transition temperature and critical current dependence on period

    NASA Astrophysics Data System (ADS)

    Walker, A. E.; Veldhorst, J.; Myers, D. M.; McElrath, Z.; Lewis, J. B.; Broussard, P. R.

    2011-10-01

    The behavior of the transition temperature and critical current density for a Mo/Nb repeated bilayer system as a function of the number of periods was explored. The measured values of the transition temperature are compared to the theoretical predictions for the proximity effect in the dirty limit. We find that the transition temperature does not decrease as the number of periods increase. In addition, inductive critical current density measurements also show a scaling that indicates the superconductivity properties are not dependent on the number of bilayers.

  18. Competing interactions in metallic superlattices. [Cu/Nb; Mo/Ta

    SciTech Connect

    Falco, C.M.; Makous, J.L.; Bell, J.A.; Bennett, W.R.; Zanoni, R.; Stegeman, G.I.; Seaton, C.T.

    1987-01-01

    Metallic superlattices provide an excellent system to study in a controlled manner a variety of physical phenomena, including superconductivity, magnetism, and electrical transport properties. As will be discussed in this paper, changes in certain of these properties as a function of superlattice modulation wavelength ..lambda.. are found to be correlated with structural changes and elastic property anomalies. The propeties of two particular metallic superlattices, Cu/Nb and Mo/Ta, are discussed in this paper, as examples of how competing interactions manifest themselves in the physical properties of these superlattices. 15 refs., 3 figs.

  19. Microstructural Evolution and Mechanical Properties of a Multicomponent Nb-16Si-22Ti-2Al-2Hf-2Cr Alloy Prepared by Reactive Hot Press Sintering

    NASA Astrophysics Data System (ADS)

    Liu, W.; Fu, Y. M.; Sha, J. B.

    2013-05-01

    In this paper, the effect of reactive hot press sintering (RHPS) parameters, such as milling time, hot pressing temperature, and heat treatment, on phase constitution, microstructure, and room temperature mechanical properties of a multicomponent Nb-16Si-22Ti-2Hf-2Al-2Cr alloy prepared from ball milled powder mixture is investigated. Evaluation of the microstructure revealed that all as-sintered and heat-treated samples mainly consisted of particles of Nb and Ti solid solutions (NbSS and TiSS), as well as a niobium silicide β-Nb5Si3 matrix, with a small quantity of Hf solid solution particles (HfSS). By sintering at 1773 K and 1873 K (1500 °C and 1600 °C), most of the NbSS phase in the samples prepared from 5 and 10 ball milled powder mixtures showed a narrow strip morphology. Upon increasing the milling time to 20 hours, the morphology changed to a near-equiaxed shape, which became finer with increased milling time. In contrast, the TiSS phase in all as-sintered samples more or less had a near-equiaxed shape. Spheroidizing tendency took place in both NbSS and TiSS phases during an annealing heat treatment at 1773 K (1500 °C) for 50 hours. Interestingly, when the milling time was extended from 5 to 20 hours, the volume fractions of the β-Nb5Si3 and TiSS phases increased, whereas that of the NbSS phase decreased. This resulted in the reduction of the fracture toughness K Q and an enhancement of the Vickers hardness Hv of the bulk as-sintered and heat-treated samples. A fractography analysis was also carried out to elucidate the fracture behavior of phases, with particular emphasis on the interaction between phases and cracks.

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

    PubMed Central

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

    2016-01-01

    High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder. Here we show that the valence electron count dependence of the superconducting transition temperature in the high-entropy alloy falls between those of analogous simple solid solutions and amorphous materials and test the effect of alloy complexity on the superconductivity. We propose high-entropy alloys as excellent intermediate systems for studying superconductivity as it evolves between crystalline and amorphous materials. PMID:27803330

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    PubMed

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

    2016-11-15

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

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

    DOE PAGES

    von Rohr, Fabian; Winiarski, Michał J.; Tao, Jing; ...

    2016-11-01

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

  4. Microstructural and precipitation characterization in Nb-Mo microalloyed steels: Estimation of the contributions to the strength

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

    The influence of coiling temperature on the final microstructure and precipitation has been analyzed in several low carbon Nb and Nb-Mo microalloyed steels. A throughout characterization of the complex microstructures has been performed using electron backscattered diffraction, measuring low and high angle unit sizes, microstructural substructure, as well as quantifying the homogeneity. An important microstructural refinement is observed for all compositions as the coiling temperature decreases. Regarding precipitation, the coiling temperature strongly modifies the size and density of the fine precipitates, being 550 °C the optimal coiling temperature for the Nb-Mo steels. The addition of Mo to Nb steels provides a refinement of the precipitates and, therefore, enhances their contribution to strengthening. Considering all the microstructural and precipitation quantification data, the yield strength was estimated and the contribution of the different mechanisms calculated. The grain size contribution is proven to be the most important factor regarding strengthening, followed by dislocation density and precipitation especially at low coiling temperatures and Nb-Mo steels.

  5. A perovskite lead-free antiferroelectric xCaHfO3-(1-x) NaNbO3 with induced double hysteresis loops at room temperature

    NASA Astrophysics Data System (ADS)

    Gao, Lisheng; Guo, Hanzheng; Zhang, Shujun; Randall, Clive A.

    2016-11-01

    We demonstrated a new CaHfO3-NaNbO3 solid solution system that allows stable antiferroelectric (AFE) (P) phase to exist under ambient conditions. Based on crystal chemistry viewpoint of relative change of the Goldschmidt tolerance factor (t) and polarizability, two new solid solutions were fabricated using the perovskite end member CaHfO3. It was found that the CaHfO3 effectively stabilized the antiferroelectric (AFE) P phase in NaNbO3. In this article, electrical properties and transmission electron microscopy experiments were conducted to verify the stabilization and enhancement of antiferroelectric behavior over the various solid solutions, where both structural signature of ¼{010} superlattice diffraction reflections and electrical characteristic of double polarization-electric (P-E) hysteresis were observed.

  6. Metal-metal bonding and aromaticity in [M2(NHCHNH)3]2 (μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh).

    PubMed

    Yan, Xiuli; Meng, Lingpeng; Sun, Zheng; Li, Xiaoyan

    2016-02-01

    The nature of M-M bonding and aromaticity of [M2(NHCHNH)3]2(μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh) was investigated using atoms in molecules (AIM) theory, electron localization function (ELF), natural bond orbital (NBO) and molecular orbital analysis. These analyses led to the following main conclusions: in [M2(NHCHNH)3]2(μ-E)2 (E = O, S; M = Nb, Mo, Tc, Ru, Rh), the Nb-Nb, Ru-Ru, and Rh-Rh bonds belong to "metallic" bonds, whereas Mo-Mo and Tc-Tc drifted toward the "dative" side; all these bonds are partially covalent in character. The Nb-Nb, Mo-Mo, and Tc-Tc bonds are stronger than Ru-Ru and Rh-Rh bonds. The M-M bonds in [M2(NHCHNH)3]2(μ-S)2 are stronger than those in [M2(NHCHNH)3]2(μ-O)2 for M = Nb, Mo, Tc, and Ru. The NICS(1)ZZ values show that all of the studied molecules, except [Ru2(NHCHNH)3]2(μ-O)2, are aromaticity molecules. O-bridged compounds have more aromaticity than S-bridged compounds. Graphical Abstract Left Molecular graph, and right electron localization function (ELF) isosurface of [M2(NHCHNH)3]2(μ-E)2(E = O, S; M = Nb, Mo, Tc, Ru, Rh).

  7. Surface characteristics of HA coating and micro-pore formation on the Ti-25Nb-xHf alloys for dental materials.

    PubMed

    Kim, Sung-Hwan; Jeong, Yong-Hoon; Choe, Han-Cheol

    2014-10-01

    Micro-pore formation on titanium surface can increase the adhesion strength with increment of surface area, and hydroxyapatite is effective coating materials as a main chemical constituent of bone tissue for biomedical field. The aim of this study was to investigate the surface characteristics of HA coating and micro-pore formation on the Ti-25Nb-xHf alloys for dental materials. The Ti-25Nb-xHf alloys consisted of (0 and 7) wt.% Hf contents which were manufactured by vacuum arc-melting furnace. The homogenization was performed at 1000 degrees C for 12 h and water quenched. Anodization was carried out using an electrochemical method in 1 M H3PO4 electrolyte. The HA films were deposited by plasma sputtering method. The microstructures of alloys were transformed from α" phase to β phase by addition of Hf element, and needle-like structures were translated to an equiaxed structure as Hf content increased. The peaks of anatase and rutile showed on the anodized surface of these alloys. The number of micro-pore decreased, with presence of Hf content increased, whereas size of micro-pore increased. Anodized surface was covered with HA particles at surface and in holes. Contact angle value of HA coating on anodized surface was lower than that of non-coating surface.

  8. 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.

  9. 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.

  10. Nanostructured anatase TiO2 microtubes doped by Zr(IV), Hf(IV) and Mo(VI)

    NASA Astrophysics Data System (ADS)

    Sokolov, A. A.; Opra, D. P.; Gnedenkov, S. V.; Sinebryukhov, S. L.; Voit, E. I.; Suschkov, Y. V.; Modin, E. B.; Sarin, S. A.; Mayorov, V. Y.; Zheleznov, V. V.

    2017-09-01

    The nanostructured Zr-, Hf-, and Mo-doped anatase TiO2 microtubes has been synthesized via a template solgel method on a carbon fiber. The correlation between synthesis conditions of materials and their structure and morphology was investigated in detail by means of scanning electron microscopy, small-angle X-ray scattering, transmission electron microscopy, and Raman spectroscopy. Electrochemical behaviour of the materials as Li-ion batteries anodes was investigated by galvanostatic charge/discharge cycling.

  11. Effect of Ti/Al ratio and Cr, Nb, and Hf additions on material factors and mechanical properties in TiAl

    NASA Astrophysics Data System (ADS)

    Kawabata, T.; Tamura, T.; Izumi, O.

    1993-01-01

    The effect of the Ti/Al ratio and Cr, Nb, and Hf additions on material factors, such as the grain size, second phase, la tice parameters and the axial ratio, and on mechanical properties in TiAl-base alloys has been studied. The grain size was decreased by the deviation from the stoichiometric composition o the Ti-rich side and the addition of the third elements. The Cr element was contained a little more in Ti3Al phase than in TiAl phase in two-phase Ti-rich alloys. The lattice parameters, a and c, and the axial ratio, c/a, of the binary alloys varied linearly with decreasing Al content even in the dual-phase region. The Cr addition decreased the a and c and also c/a. The Nb addition increased weakly the a and c and c/a. On the contrary, the Hf addition increased the a and c but decreased the c/a ratio. In the Cr added alloys, the decrease of volume of a unit cell, due to the substitution of Cr atoms for Ti and Al atoms, was larger than that expected from the difference of atom sizes. The Nb addition should decrease the volume of a unit cell, but it increased the volume. The Hf addition caused a larger increase of volume of a unit cell than that expected from the difference of atom sizes. We suggested that the Cr addition increases and the Nb and Hf additions decrease the bond strength in TiAl. The deviation from stoichiometry and the addition of third elements caused an increase of work-hardening rate. The alloys with Ti-rich composition have superior mechanical properties compared to those of alloys vith Al-rich composition. The Cr addition resulted in high solution hardening, and the Ti-47A1 3Cr (in atomic percent) alloys had the highest fracture strain of 2.7 pct in all alloys tested. The Nb addition resulted in poor ductility in both Ti- and Al-rich alloys. The Hf additions to the Ti-rich composition caused better mechanical properties than those of Al-rich alloys. Thi; trend was also similar to the Nb-added alloys. In the Hf-added alloys, the Ti-49Al-2Hf

  12. In-situ growth of HfO2 on clean 2H-MoS2 surface: Growth mode, interface reactions and energy band alignment

    NASA Astrophysics Data System (ADS)

    Chen, Chang Pang; Ong, Bin Leong; Ong, Sheau Wei; Ong, Weijie; Tan, Hui Ru; Chai, Jian Wei; Zhang, Zheng; Wang, Shi Jie; Pan, Ji Sheng; Harrison, Leslie John; Kang, Hway Chuan; Tok, Eng Soon

    2017-10-01

    Room temperature growth of HfO2 thin film on clean 2H-MoS2 via plasma-sputtering of Hf-metal target in an argon/oxygen environment was studied in-situ using x-ray photoelectron spectroscopy (XPS). The deposited film was observed to grow akin to a layer-by-layer growth mode. At the onset of growth, a mixture of sulfate- and sulfite-like species (SOx2- where x = 3, 4), and molybdenum trioxide (MoO3), are formed at the HfO2/MoS2 interface. An initial decrease in binding energies for both Mo 3d and S 2p core-levels of the MoS2 substrate by 0.4 eV was also observed. Their binding energies, however, did not change further with increasing HfO2 thickness. There was no observable change in the Hf4f core-level binding energy throughout the deposition process. With increasing HfO2 deposition, MoO3 becomes buried at the interface while SOx2- was observed to be present in the film. The shift of 0.4 eV for both Mo 3d and S 2p core-levels of the MoS2 substrate can be attributed to a charge transfer from the substrate to the MoO3/SOx2--like interface layer. Consequently, the Type I heterojunction valence band offset (conduction band offset) becomes 1.7 eV (2.9 eV) instead of 1.3 eV (3.3 eV) expected from considering the bulk HfO2 and MoS2 valence band offset (conduction band offset). The formation of these states and its influence on band offsets will need to be considered in their device applications.

  13. Phase evolution, microstructure and mechanical properties of equi-atomic substituted TiZrHfNiCu and TiZrHfNiCuM (M = Co, Nb) high-entropy alloys

    NASA Astrophysics Data System (ADS)

    Park, Hae Jin; Na, Young Sang; Hong, Sung Hwan; Kim, Jeong Tae; Kim, Young Seok; Lim, Ka Ram; Park, Jin Man; Kim, Ki Buem

    2016-07-01

    In this study, alloys with composition of equi-atomic substituted TiZrHfNiCu, TiZrHfNiCuCo, and TiZrHfNiCuNb high-entropy alloys (HEAs) were produced by suction casting method. The effects of addition elements on phase composition, microstructure and mechanical behaviors of the HEA were studied. The suction casted Ti20Zr20Hf20Ni20Cu20 HEA exhibits single C14 Laves phase (MgZn2-type) with fine homogeneous microstructure. When Co or Nb elements are added, morphologies are slightly modulated toward well-developed dendritic microstructure, phase constitutions are significantly changed from single Laves phase to mixed multi-phases as well as mechanical properties are also altered with increased plasticity and high strength. It is believed that modulated mechanical properties are mainly ascribed to the change of phase constitution and crystalline structure, together with the microstructural characteristics. This clearly reveals that the selection and addition of supplementary elements based on the formation rule for HEAs play an important role on the evolution of phase, microstructural morphology and mechanical properties of Ti20Zr20Hf20Ni20Cu20 HEA.

  14. Preparation and characterization of alloys of the Ti-15Mo-Nb system for biomedical applications.

    PubMed

    Martins Júnior, J R S; Matos, A A; Oliveira, R C; Buzalaf, M A R; Costa, I; Rocha, L A; Grandini, C R

    2017-03-09

    In the development of new metallic biomaterials, the Ti-15Mo alloy has great prominence because of its excellent corrosion resistance and good combination of mechanical properties. In this study, the element niobium was added to the Ti-15Mo alloy, forming the Ti-15Mo-Nb system for the purpose of improving their properties and promoting its application as a biomaterial. These alloys are very promising to use as biomedical implants, because they integrate a new class of titanium alloys without the presence of aluminum and vanadium, which may cause cytotoxic effects. The alloys were produced by arc-melting and characterized by density, X-ray diffraction, scanning electron microscopy, microhardness, elastic modulus, corrosion, and cytotoxicity assays. The developed alloys have β phase predominance (with bcc crystalline structure). The addition of niobium decreases the microhardness and elastic modulus, with values around 80 GPa, which is well below that of the metallic alloys used commercially for this type of application. Very low passive current densities were found for all alloys studied showing that the passive film on these alloys is highly protective. In vitro cytotoxicity tests revealed that the introduction of niobium did not cause cytotoxic effects in the studied alloys. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2017.

  15. 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.

  16. Analytic bond-order potentials for the bcc refractory metals Nb, Ta, Mo and W.

    PubMed

    Čák, M; Hammerschmidt, T; Rogal, J; Vitek, V; Drautz, R

    2014-05-14

    Bond-order potentials (BOPs) are based on the tight-binding approximation for determining the energy of a system of interacting atoms. The bond energy and forces are computed analytically within the formalism of the analytic BOPs. Here we present parametrizations of the analytic BOPs for the bcc refractory metals Nb, Ta, Mo and W. The parametrizations are optimized for the equilibrium bcc structure and tested for atomic environments far from equilibrium that had not been included in the fitting procedure. These tests include structural energy differences for competing crystal structures; tetragonal, trigonal, hexagonal and orthorhombic deformation paths; formation energies of point defects as well as phonon dispersion relations. Our tests show good agreement with available experimental and theoretical data. In practice, we obtain the energetic ordering of vacancy, [1 1 1], [1 1 0], and [1 0 0] self-interstitial atom in agreement with density functional theory calculations.

  17. 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.

  18. 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.

  19. 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.

  20. Hyperfine characterization of Bi 1.9Te 0.1SrNb 1.9Hf 0.1O 9

    NASA Astrophysics Data System (ADS)

    Alonso, R. E.; López-García, A.; Martínez, J. A.; Castro, A.; Paschoal, A. R.; Silva, E. N.; Ayala, A. P.; Guedes, I.

    2006-07-01

    The Aurivillius type oxide Bi 1.9Te 0.1SrNb 1.9Hf 0.1O 9 has been studied by Perturbed Angular Correlations spectroscopy using 181Ta probes. The spin precession curves were measured from room temperature up to 873 K. Two sites are occupied by probes and the temperature dependence of both indicates a continuous phase transition at about 625 K. One site is ordered while the other is disordered. This situation is analyzed in terms of simple models already applied to perovskites. The transition temperature of the solid solution Bi 2- xTe xSrNb 2- xHf xO 9 (with 0≤x≤0.5) shows a strong dependence on composition.

  1. Microstructure and Mechanical Properties of a Refractory CoCrMoNbTi High-Entropy Alloy

    NASA Astrophysics Data System (ADS)

    Zhang, Mina; Zhou, Xianglin; Li, Jinghao

    2017-08-01

    In this work, a new refractory high-entropy alloy, the Co-Cr-Mo-Nb-Ti system, was proposed as a family of candidate materials for high-temperature structural applications. CoCrMoNbTi x ( x values in terms of molar ratios, x = 0, 0.2, 0.4, 0.5 and 1.0) alloys were prepared by vacuum arc melting. The effects of variations in the Ti content on the phase constituents, microstructure and mechanical properties of the alloys were investigated using x-ray diffractometry, scanning electron microscopy equipped with energy-dispersive x-ray spectroscopy and compressive testing. The results showed that the CoCrMoNbTi0.4 alloy possessed a typical cast dendritic microstructure consisting of a single body-centered cubic (BCC) solid solution. Laves phases (Cr2Nb and Co2Ti) were formed in other alloys with different Ti contents. The results were discussed in terms of the mixing enthalpy, atomic size difference, electronegativity difference and valance electron concentrations among the elements within alloys. The alloy hardness exhibited a slightly decreasing trend as the Ti content increased, resulting from the coarser microstructure and reduced amount of Laves phases. Augmented Ti content increased the compressive strength, but decreased the ductility. Particularly, for the CoCrMoNbTi0.2 alloy, the hardness, compressive strength and fracture strain were as high as 916.46 HV0.5, 1906 MPa and 5.07%, respectively. The solid solution strengthening of the BCC matrix and the formation of hard Laves phases were two main factors contributing to alloy strengthening.

  2. Microstructure, Tensile and Creep Properties of Ta20Nb20Hf20Zr20Ti20 High Entropy Alloy.

    PubMed

    Larianovsky, Natalya; Katz-Demyanetz, Alexander; Eshed, Eyal; Regev, Michael

    2017-07-31

    This paper examines the microstructure and mechanical properties of Ta20Nb20Hf20Zr20Ti20. Two casting processes, namely, gravity casting and suction-assisted casting, were applied, both followed by Hot Isostatic Pressing (HIP). The aim of the current study was to investigate the creep and tensile properties of the material, since the literature review revealed no data whatsoever regarding these properties. The main findings are that the HIP process is responsible for the appearance of a Hexagonal Close Packed (HCP) phase that is dispersed differently in these two castings. The HIP process also led to a considerable increase in the mechanical properties of both materials under compression, with values found to be higher than those reported in the literature. Contrary to the compression properties, both materials were found to be highly brittle under tension, either during room temperature tension tests or creep tests conducted at 282 °C. Fractography yielded brittle fracture without any evidence of plastic deformation prior to fracture.

  3. Microstructure, Tensile and Creep Properties of Ta20Nb20Hf20Zr20Ti20 High Entropy Alloy

    PubMed Central

    Larianovsky, Natalya; Katz-Demyanetz, Alexander; Eshed, Eyal; Regev, Michael

    2017-01-01

    This paper examines the microstructure and mechanical properties of Ta20Nb20Hf20Zr20Ti20. Two casting processes, namely, gravity casting and suction-assisted casting, were applied, both followed by Hot Isostatic Pressing (HIP). The aim of the current study was to investigate the creep and tensile properties of the material, since the literature review revealed no data whatsoever regarding these properties. The main findings are that the HIP process is responsible for the appearance of a Hexagonal Close Packed (HCP) phase that is dispersed differently in these two castings. The HIP process also led to a considerable increase in the mechanical properties of both materials under compression, with values found to be higher than those reported in the literature. Contrary to the compression properties, both materials were found to be highly brittle under tension, either during room temperature tension tests or creep tests conducted at 282 °C. Fractography yielded brittle fracture without any evidence of plastic deformation prior to fracture. PMID:28773245

  4. 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.

  5. Improved interfacial and electrical properties of HfLaON gate dielectric Ge MOS capacitor by NbON/Si dual passivation layer and fluorine incorporation

    NASA Astrophysics Data System (ADS)

    Huang, Yong; Xu, Jing-Ping; Liu, Lu; Lai, Pui-To; Tang, Wing-Man

    2016-11-01

    Ge metal-oxide-semiconductor (MOS) capacitor with HfLaON/(NbON/Si) stacked gate dielectric and fluorine-plasma treatment is fabricated, and its interfacial and electrical properties are compared with its counterparts without the Si passivation layer or the fluorine-plasma treatment. The experimental results show that the HfLaON/(NbON/Si) Ge MOS device treated by fluorine plasma exhibits excellent performance: low interface-state density (4.3 × 1011 cm-2 eV-1), small flatband voltage (0.22 V), good capacitance-voltage behavior, small frequency dispersion and low gate leakage current (4.18 × 10-5 A/cm2 at Vg = Vfb + 1 V). These should be attributed to the suppressed growth of unstable Ge oxides on the Ge surface during gate-dielectric annealing by the NbON/Si dual interlayer and fluorine incorporation, thus reducing the defective states at/near the NbSiON/Ge interface and improving the electrical properties of the device.

  6. TiZrNbTaMo high-entropy alloy designed for orthopedic implants: As-cast microstructure and mechanical properties.

    PubMed

    Wang, Shao-Ping; Xu, Jian

    2017-04-01

    Combining the high-entropy alloy (HEA) concept with property requirement for orthopedic implants, we designed a Ti20Zr20Nb20Ta20Mo20 equiatomic HEA. The arc-melted microstructures, compressive properties and potentiodynamic polarization behavior in phosphate buffer solution (PBS) were studied in detail. It was revealed that the as-cast TiZrNbTaMo HEA consisted of dual phases with bcc structure, major bcc1 and minor bcc2 phases with the lattice parameters of 0.3310nm and 0.3379nm, respectively. As confirmed by nanoindentation tests, the bcc1 phase is somewhat harder and stiffer than the bcc2 phase. The TiZrNbTaMo HEA exhibited Young's modulus of 153GPa, Vickers microhardness of 4.9GPa, compressive yield strength of σy=1390MPa and apparent plastic strain of εp≈6% prior to failure. Moreover, the TiZrNbTaMo HEA manifested excellent corrosion resistance in PBS, comparable to the Ti6Al4V alloy, and pitting resistance remarkably superior to the 316L SS and CoCrMo alloys. These preliminary advantages of the TiZrNbTaMo HEA over the current orthopedic implant metals in mechanical properties and corrosion resistance offer an opportunity to explore new orthopedic-implant alloys based on the TiZrNbTaMo concentrated composition.

  7. Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta)

    SciTech Connect

    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.

    2016-09-15

    The crystal structure and non-linear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} 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 CsB{sup V}MoO{sub 6} (B{sup V}=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 CsNbMoO{sub 6} and CsTaMoO{sub 6}was found to be 1.6×10{sup −2} and 8.5×10{sup −4} of lithium niobate, correspondingly. It has been determined that distortions of [MO{sub 6}] 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. - Highlights: • CsNbMoO{sub 6} and CsTaMoO{sub 6} homogeneous single crystals have been grown. • The crystal structure of CsTaMoO{sub 6} has been studied. • Nonlinear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} have been found. • The microscopic origin of the second harmonic generation (SHG) response have been identified.

  8. The structural and electronic properties of cubic AgMO{sub 3} (M=Nb, Ta) by first principles calculations

    SciTech Connect

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

    2016-05-06

    We report the electronic structure of the AgMO{sub 3}(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)O{sub 3} 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.

  9. 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.

  10. Deformation behavior of metastable β-type Ti-25Nb-2Mo-4Sn alloy for biomedical applications.

    PubMed

    Guo, S; Meng, Q K; Cheng, X N; Zhao, X Q

    2014-10-01

    The deformation behavior of metastable β-type Ti-25Nb-2Mo-4Sn (wt%) alloy subjected to different thermo-mechanical treatments was discussed by the combining results from transmission electron microscope, tensile test and in-situ synchrotron X-ray diffraction. Visible "double yielding" behavior, which is characterized by the presence of stress-plateau, was observed in the solution treated specimen. Upon a cold rolling treatment, the Ti-25Nb-2Mo-4Sn alloy performs nonlinear deformation because of the combined effects of elastic deformation and stress-induced α″ martensitic transformation. After the subsequent annealing, the β phase is completely stabilized and no stress-induced martensitic transformation takes place on loading due to the inhibitory effect of grain boundaries and dislocations on martensitic transformation. As a result, the annealed specimen exhibits linear elastic deformation. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. The Phase Stability, Ductility and Hardness of MoN and NbN: First-Principles Study

    NASA Astrophysics Data System (ADS)

    Linghu, Yaoyao; Wu, Xiaozhi; Wang, Rui; Li, Weiguo; Liu, Qing

    2017-01-01

    The phase stabilities of Mo_{1-x} Alx N and Nb_{1-x} Alx N (x=0, 0.25, 0.5, 0.75, 1.0) with four possible WC, NiAs, B1 and B4 structures were investigated using first-principles methods. With the increase of Al contents, the most stable structure changes from WC (x=0 and 0.25) to NiAs (x=0.5 ) structure. When x=0.75 and 1.0, the most stable structure is B4. The elastic constants, Young's modulus, shear modulus, bulk modulus and elastic anisotropy were calculated. Based on the Pugh criterion and Poisson's ratio, the ductility and hardness of Mo_{1-x} Alx N and Nb_{1-x} Alx N were investigated. The ductility of Mo_{1-x} Alx N decreases with the increase of Al contents. However, the ductility of Nb_{1-x} Alx N enhances with the increase of Al contents. The density of states and charge density differences were used to analyze the mechanical properties. The results are in agreement with the predictions based on the Pugh criterion and Poisson's ratio.

  12. The Phase Stability, Ductility and Hardness of MoN and NbN: First-Principles Study

    NASA Astrophysics Data System (ADS)

    Linghu, Yaoyao; Wu, Xiaozhi; Wang, Rui; Li, Weiguo; Liu, Qing

    2017-03-01

    The phase stabilities of Mo_{1-x}AlxN and Nb_{1-x}AlxN (x=0, 0.25, 0.5, 0.75, 1.0) with four possible WC, NiAs, B1 and B4 structures were investigated using first-principles methods. With the increase of Al contents, the most stable structure changes from WC (x=0 and 0.25) to NiAs (x=0.5) structure. When x=0.75 and 1.0, the most stable structure is B4. The elastic constants, Young's modulus, shear modulus, bulk modulus and elastic anisotropy were calculated. Based on the Pugh criterion and Poisson's ratio, the ductility and hardness of Mo_{1-x}AlxN and Nb_{1-x}AlxN were investigated. The ductility of Mo_{1-x}AlxN decreases with the increase of Al contents. However, the ductility of Nb_{1-x}AlxN enhances with the increase of Al contents. The density of states and charge density differences were used to analyze the mechanical properties. The results are in agreement with the predictions based on the Pugh criterion and Poisson's ratio.

  13. Study of the interface stability of the metal (Mo, Ni, Pd)/HfO2/AlN/InGaAs MOS devices

    NASA Astrophysics Data System (ADS)

    Do, Huy Binh; Luc, Quang Ho; Ha, Minh Thien Huu; Huynh, Sa Hoang; Nguyen, Tuan Anh; Lin, Yueh Chin; Chang, Edward Yi

    2017-08-01

    The degeneration of the metal/HfO2 interfaces for Mo, Ni, and Pd gate metals was studied in this paper. An unstable PdOx interfacial layer formed at the Pd/HfO2 interface, inducing the oxygen segregation for the Pd/HfO2/InGaAs metal oxide capacitor (MOSCAP). The low dissociation energy for the Pd-O bond was the reason for oxygen segregation. The PdOx layer contains O2- and OH- ions which are mobile during thermal annealing and electrical stress test. The phenomenon was not observed for the (Mo, Ni)/HfO2/InGaAs MOSCAPs. The results provide the guidance for choosing the proper metal electrode for the InGaAs based MOSFET.

  14. 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.

  15. Martensitic 11% CrMoNiNb steel for turbine rotors in geothermal power stations

    SciTech Connect

    Schoenfeld, K.H.; Levacher, R.; Manning, M.P.; Murley, P.F.

    1997-12-31

    Turbine rotors in a geothermal power station were required in high alloyed 12% Cr steel. After some preliminary investigations it was found that a modified 11% CrMoNiNb steel will fulfill the required mechanical properties as well as a sufficient resistance to corrosion. Two LP rotors with approximately 1,295 mm (51 in.) premachined diameter and ungashed weight of approximately 31 mt were manufactured. The steel was melted in a 125 mt electric arc furnace and subsequently remelted into a 113 mt ESR ingot with 2,300 mm (90 in.) diameter. After forging and preliminary heat treatment the rotors were quality heat treated to a yield strength (0.2% and 0.02%) of approximately 600 MPa (87 ksi) and approximately 550 MPa (80 ksi) respectively and tensile strength of approximately 780 MPa (113 ksi). This resulted in a FATT of approximately 16 C (60 F). Low hardness is important to susceptibility to stress corrosion. It was achieved to approximately 20 HRC. The results have met the assumption with respect to this steel for application as rotor material for geothermal power stations.

  16. 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.

  17. Bond dissociation energies of TiSi, ZrSi, HfSi, VSi, NbSi, and TaSi

    NASA Astrophysics Data System (ADS)

    Sevy, Andrew; Sorensen, Jason J.; Persinger, Thomas D.; Franchina, Jordan A.; Johnson, Eric L.; Morse, Michael D.

    2017-08-01

    Predissociation thresholds have been observed in the resonant two-photon ionization spectra of TiSi, ZrSi, HfSi, VSi, NbSi, and TaSi. It is argued that because of the high density of electronic states at the ground separated atom limit in these molecules, the predissociation threshold in each case corresponds to the thermochemical bond dissociation energy. The resulting bond dissociation energies are D0(TiSi) = 2.201(3) eV, D0(ZrSi) = 2.950(3) eV, D0(HfSi) = 2.871(3) eV, D0(VSi) = 2.234(3) eV, D0(NbSi) = 3.080(3) eV, and D0(TaSi) = 2.999(3) eV. The enthalpies of formation were also calculated as Δf,0KH°(TiSi(g)) = 705(19) kJ mol-1, Δf,0KH°(ZrSi(g)) = 770(12) kJ mol-1, Δf,0KH°(HfSi(g)) = 787(10) kJ mol-1, Δf,0KH°(VSi(g)) = 743(11) kJ mol-1, Δf,0KH°(NbSi(g)) = 879(11) kJ mol-1, and Δf,0KH°(TaSi(g)) = 938(8) kJ mol-1. Using thermochemical cycles, ionization energies of IE(TiSi) = 6.49(17) eV and IE(VSi) = 6.61(15) eV and bond dissociation energies of the ZrSi- and NbSi- anions, D0(Zr-Si-) ≤ 3.149(15) eV, D0(Zr--Si) ≤ 4.108(20) eV, D0(Nb-Si-) ≤ 3.525(31) eV, and D0(Nb--Si) ≤ 4.017(39) eV, have also been obtained. Calculations on the possible low-lying electronic states of each species are also reported.

  18. New type of ferromagnetic insulator: Double perovskite La2NiMO6 (M=Mn, Tc, Re, Ti, Zr, and Hf)

    NASA Astrophysics Data System (ADS)

    Fuh, H. R.; Liu, Y. P.; Xiao, Z. R.; Wang, Y. K.

    2014-05-01

    Electronic structures of transition metal pnictides double perovskite La2NiMO6 (M=Mn, Tc, Re, Ti, Zr, and Hf) were shown as ferromagnetic (FM) insulators based on density functional calculation results. The FM state observed in La2NiMO6 (M=Mn, Tc, and Re) was most likely a mixture of high spin (HS) and low spin (LS) states; the electrons were transferred from the filled LS Ni eg states to the half-filled HS Mn (Tc). On the other hand, the FM state in La2NiMO6 (M=Ti, Zr, and Hf) was caused by the electron transfer from the half-filled LS Ti (Zr and Hf) eg orbital of HS Ni to the empty eg orbital of LS Ti (Zr and Hf). The FM insulating state of La2NiMO6 (M=Mn. Tc, Ti, Zr, and Hf) remained the same, whereas it changed from metal to insulator for La2NiReO6 based on the generalized gradient approximation+U calculation.

  19. 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.

  20. Structural origin of the enhanced ionic conductivity upon Nb doping in Sr11Mo4O23 defective double perovskite.

    PubMed

    Miranda, C D; López, C A; Pedregosa, J C; Alonso, J A

    2017-03-21

    We report a substantial enhancement of the oxide-ion conductivity in Sr11Mo4O23 achieved by Nb doping the Mo sites. This series responds to the formula: Sr11Mo4-xNbxO23-δ (with x = 0.0, 0.5 and 1.0). The original structure can be related to the conventional double perovskite; however, it presents a broken corner sharing connectivity of the octahedral framework, hence leading to a complex and highly defective network. The samples were prepared via citrate precursor method, followed by thermal treatments at 1300 °C for 12 hours in air. The crystal structures were refined from X-ray and neutron powder diffraction (NPD) data. A phase transition from tetragonal to cubic symmetry is identified in a temperature-dependent NPD study, driven by an oxygen delocalization effect. The ionic conductivity measured by impedance spectroscopy is enhanced upon Nb-doping; the x = 1 doped phase exhibits a threefold increase compared to the pristine Sr11Mo4O23 oxide, with conductivity values of 7.6 × 10(-3) and 2.7 × 10(-2) S·cm(-1) at 650 and 800 °C, which are even greater than for YSZ in the 650-800 °C temperature range, and close to those reported for other state-of-the art solid-oxide electrolytes.

  1. 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.

  2. 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}.

  3. Microstructure-Property Relationship in the Thermomechanically Processed C-Mn-Si-Nb-Al-(Mo) Transformation-Induced Plasticity Steels Before and After Prestraining and Bake Hardening Treatment

    NASA Astrophysics Data System (ADS)

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

    2012-07-01

    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.

  4. 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.

  5. Formation of superhard Ti-Hf-Si-N/NbN/Al2O3 multilayer coatings for highly effective protection of steel

    NASA Astrophysics Data System (ADS)

    Pogrebnyak, A. D.; Beresnev, V. M.; Kaverina, A. Sh.; Shypylenko, A. P.; Kolisnichenko, O. V.; Oyoshi, K.; Takeda, Y.; Murakami, H.; Kolesnikov, D. A.; Prozorova, M. S.

    2013-02-01

    Hard micro- and nanostructured Ti-Hf-Si-N/NbN/Al2O3 multilayer coatings on steel substrates have been obtained for the first time using various deposition technologies and characterized by a combination of methods. It is established that the proposed coatings possess, in addition to high hardness ( H = 47-56 GPa), high elastic modulus ( E = 435-570 GPa), and good plasticity index ( W e = 0.08-0.11), a rather low friction coefficient that varies within μ = 0.02-0.001 depending on the deposition conditions. The coatings remain stable at temperatures above 1000°C.

  6. Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

    NASA Astrophysics Data System (ADS)

    Zhao, Shijun; Kang, Wei; Xue, Jianming

    2014-03-01

    Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M2C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti2C and Zr2C which show a magnetic moment of 1.92 and 1.25 μB/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf2C, in which the magnetic moment is elevated to 1.5 μB/unit at a strain of 1.80%. We further show that the magnetic properties of Hf2C are attributed to the band shift mainly composed of Hf(5d) states.

  7. Manipulation of electronic and magnetic properties of M{sub 2}C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

    SciTech Connect

    Zhao, Shijun; Kang, Wei; Xue, Jianming

    2014-03-31

    Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M{sub 2}C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti{sub 2}C and Zr{sub 2}C which show a magnetic moment of 1.92 and 1.25 μ{sub B}/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf{sub 2}C, in which the magnetic moment is elevated to 1.5 μ{sub B}/unit at a strain of 1.80%. We further show that the magnetic properties of Hf{sub 2}C are attributed to the band shift mainly composed of Hf(5d) states.

  8. {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.

  9. 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.

  10. 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.

  11. 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.

  12. Microstructural Effects on the Deformation and Fracture of the Alloy Ti- 25Al-10Nb-3B-1Mo

    DTIC Science & Technology

    1992-12-01

    62 Table 3.2 Anneal and age treatments for microstructures 25/C, 10/C and 0/C ....... 63 Table 3.3 Chemical analysis of...diagram at 9000C .................... 6 Figure 2.3 Temperature-composition diagram for Ti-25AI-O1Nb-3V- Mo. Samples were isothermally aged for 168 hours...Figure 2.6 (a) Microstructure produced by hot-die forging at I I07’C and direct salt-bath age at 815TC for 30 minutes. YS: 942 MPa, UTS: 1097 MPa

  13. Low cross-section Mo-Nb thermocouples for nuclear application: The state-of-the-art

    SciTech Connect

    Wilkins, S.C.

    1988-01-01

    Long-term high-temperature measurements in nuclear environments have long posed difficult problems. The tungsten-rhenium alloy thermocouples typically used in such applications undergo large decalibrations resulting from nuclear transmutation of the component materials. An alternative thermocouple, comprising pure molybdenum and niobium thermoelements, is virtually immune to transmutation effects, but is limited in utility by other properties. Thermocouples composed of molybdenum-niobium alloys show promise of significant improvement over the pure-metal combination. The W-Re decalibration problem is detailed and the status of Mo-Nb thermocouple development reviewed, including recent efforts at the Idaho National Engineering Laboratory. 18 refs., 4 figs.

  14. Optical multi-sites of Nd3+-doped CaMoO4 induced by Nb5+ charge compensator

    NASA Astrophysics Data System (ADS)

    Andrade, L. H. C.; Li, M. Siu; Guyot, Y.; Brenier, A.; Boulon, G.

    2006-08-01

    Site-selective laser excitation and luminescence measurements at 15 K of CaMoO4 single crystal doped with Nd3+ and co-doped with Nb5+ charge compensator have been investigated in the spectral region of laser interest involving the {}^{4}\\mathrm {F_{3/2}} \\to {}^{4}\\mathrm {I_{11/2}} transition. A larger than expected number of Nd3+ sites was found and a model to explain this result is presented. A partial diagram of 4F3/2 and 4I11/2 levels was constructed from the acquired data and their features are discussed.

  15. Microstructural Evolution of the Interdiffusion Zone between U-9 Wt Pct Mo Fuel Alloy and Zr-1 Wt Pct Nb Cladding Alloy Upon Annealing

    NASA Astrophysics Data System (ADS)

    Neogy, S.; Laik, A.; Saify, M. T.; Jha, S. K.; Srivastava, D.; Dey, G. K.

    2017-06-01

    Diffusion couple formed between U-9 wt pct Mo and Zr-1 wt pct Nb alloys, proposed as fuel and clad materials, respectively, in nuclear research reactors, was annealed to investigate the microstructural evolution of the interdiffusion zone (IZ) as a function of temperature. A layered-type IZ microstructure was observed, the mechanism of development of which was elucidated. Mo2Zr phase, present as dispersoids, in the U-rich part of the as-bonded IZ evolved into a continuous layer and into a "massive" morphology upon annealing. The discontinuous precipitation reaction in the matrix adjoining the Mo2Zr phase, instigated by Mo depletion, generated lamellae of α-U phase within the γ-U(Mo,Zr) matrix. Zr-rich α-Zr(U) precipitates were observed in U-rich U-Mo-Zr matrix in the IZ next to the U-9Mo base material due to the clustering tendency of the matrix phase. The IZ next to Zr-1Nb base material comprised a "basket weave" microstructure of α-Zr laths with β-Zr(Nb,U) interlath boundaries, wherein an omega like transformation of the latter to δ-UZr2 was also noticed. The growth rates of the IZ were orders of magnitude lower when compared with the ones reported between the compositionally similar U-10 wt pct Mo alloy and the presently used Al or Al-Si cladding alloys.

  16. Microstructural Evolution of the Interdiffusion Zone between U-9 Wt Pct Mo Fuel Alloy and Zr-1 Wt Pct Nb Cladding Alloy Upon Annealing

    NASA Astrophysics Data System (ADS)

    Neogy, S.; Laik, A.; Saify, M. T.; Jha, S. K.; Srivastava, D.; Dey, G. K.

    2017-03-01

    Diffusion couple formed between U-9 wt pct Mo and Zr-1 wt pct Nb alloys, proposed as fuel and clad materials, respectively, in nuclear research reactors, was annealed to investigate the microstructural evolution of the interdiffusion zone (IZ) as a function of temperature. A layered-type IZ microstructure was observed, the mechanism of development of which was elucidated. Mo2Zr phase, present as dispersoids, in the U-rich part of the as-bonded IZ evolved into a continuous layer and into a "massive" morphology upon annealing. The discontinuous precipitation reaction in the matrix adjoining the Mo2Zr phase, instigated by Mo depletion, generated lamellae of α-U phase within the γ-U(Mo,Zr) matrix. Zr-rich α-Zr(U) precipitates were observed in U-rich U-Mo-Zr matrix in the IZ next to the U-9Mo base material due to the clustering tendency of the matrix phase. The IZ next to Zr-1Nb base material comprised a "basket weave" microstructure of α-Zr laths with β-Zr(Nb,U) interlath boundaries, wherein an omega like transformation of the latter to δ-UZr2 was also noticed. The growth rates of the IZ were orders of magnitude lower when compared with the ones reported between the compositionally similar U-10 wt pct Mo alloy and the presently used Al or Al-Si cladding alloys.

  17. Impact and Origin of Interface States in MOS Capacitor with Monolayer MoS2 and HfO2 High-k Dielectric

    NASA Astrophysics Data System (ADS)

    Xia, Pengkun; Feng, Xuewei; Ng, Rui Jie; Wang, Shijie; Chi, Dongzhi; Li, Cequn; He, Zhubing; Liu, Xinke; Ang, Kah-Wee

    2017-01-01

    Two-dimensional layered semiconductors such as molybdenum disulfide (MoS2) at the quantum limit are promising material for nanoelectronics and optoelectronics applications. Understanding the interface properties between the atomically thin MoS2 channel and gate dielectric is fundamentally important for enhancing the carrier transport properties. Here, we investigate the frequency dispersion mechanism in a metal-oxide-semiconductor capacitor (MOSCAP) with a monolayer MoS2 and an ultra-thin HfO2 high-k gate dielectric. We show that the existence of sulfur vacancies at the MoS2-HfO2 interface is responsible for the generation of interface states with a density (Dit) reaching ~7.03 × 1011 cm-2 eV-1. This is evidenced by a deficit S:Mo ratio of ~1.96 using X-ray photoelectron spectroscopy (XPS) analysis, which deviates from its ideal stoichiometric value. First-principles calculations within the density-functional theory framework further confirms the presence of trap states due to sulfur deficiency, which exist within the MoS2 bandgap. This corroborates to a voltage-dependent frequency dispersion of ~11.5% at weak accumulation which decreases monotonically to ~9.0% at strong accumulation as the Fermi level moves away from the mid-gap trap states. Further reduction in Dit could be achieved by thermally diffusing S atoms to the MoS2-HfO2 interface to annihilate the vacancies. This work provides an insight into the interface properties for enabling the development of MoS2 devices with carrier transport enhancement.

  18. Impact and Origin of Interface States in MOS Capacitor with Monolayer MoS2 and HfO2 High-k Dielectric

    PubMed Central

    Xia, Pengkun; Feng, Xuewei; Ng, Rui Jie; Wang, Shijie; Chi, Dongzhi; Li, Cequn; He, Zhubing; Liu, Xinke; Ang, Kah-Wee

    2017-01-01

    Two-dimensional layered semiconductors such as molybdenum disulfide (MoS2) at the quantum limit are promising material for nanoelectronics and optoelectronics applications. Understanding the interface properties between the atomically thin MoS2 channel and gate dielectric is fundamentally important for enhancing the carrier transport properties. Here, we investigate the frequency dispersion mechanism in a metal-oxide-semiconductor capacitor (MOSCAP) with a monolayer MoS2 and an ultra-thin HfO2 high-k gate dielectric. We show that the existence of sulfur vacancies at the MoS2-HfO2 interface is responsible for the generation of interface states with a density (Dit) reaching ~7.03 × 1011 cm−2 eV−1. This is evidenced by a deficit S:Mo ratio of ~1.96 using X-ray photoelectron spectroscopy (XPS) analysis, which deviates from its ideal stoichiometric value. First-principles calculations within the density-functional theory framework further confirms the presence of trap states due to sulfur deficiency, which exist within the MoS2 bandgap. This corroborates to a voltage-dependent frequency dispersion of ~11.5% at weak accumulation which decreases monotonically to ~9.0% at strong accumulation as the Fermi level moves away from the mid-gap trap states. Further reduction in Dit could be achieved by thermally diffusing S atoms to the MoS2-HfO2 interface to annihilate the vacancies. This work provides an insight into the interface properties for enabling the development of MoS2 devices with carrier transport enhancement. PMID:28084434

  19. Improving tribological properties of Ti-5Zr-3Sn-5Mo-15Nb alloy by double glow plasma surface alloying

    NASA Astrophysics Data System (ADS)

    Guo, Lili; Qin, Lin; Kong, Fanyou; Yi, Hong; Tang, Bin

    2016-12-01

    Molybdenum, an alloying element, was deposited and diffused on Ti-5Zr-3Sn-5Mo-15Nb (TLM) substrate by double glow plasma surface alloying technology at 900, 950 and 1000 °C. The microstructure, composition distribution and micro-hardness of the Mo modified layers were analyzed. Contact angles on deionized water and wear behaviors of the samples against corundum balls in simulated human body fluids were investigated. Results show that the surface microhardness is significantly enhanced after alloying and increases with treated temperature rising, and the contact angles are lowered to some extent. More importantly, compared to as-received TLM alloy, the Mo modified samples, especially the one treated at 1000 °C, exhibit the significant improvement of tribological properties in reciprocating wear tests, with lower specific wear rate and friction coefficient. To conclude, Mo alloying treatment is an effective approach to obtain excellent comprehensive properties including optimal wear resistance and improved wettability, which ensure the lasting and safety application for titanium alloys as the biomedical implants.

  20. 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.

  1. 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.

  2. 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

  3. Bond dissociation energies of diatomic transition metal selenides: TiSe, ZrSe, HfSe, VSe, NbSe, and TaSe

    NASA Astrophysics Data System (ADS)

    Sorensen, Jason J.; Persinger, Thomas D.; Sevy, Andrew; Franchina, Jordan A.; Johnson, Eric L.; Morse, Michael D.

    2016-12-01

    Predissociation thresholds have been observed in the resonant two-photon ionization spectra of TiSe, ZrSe, HfSe, VSe, NbSe, and TaSe. It is argued that the sharp onset of predissociation corresponds to the bond dissociation energy in each of these molecules due to their high density of states as the ground separated atom limit is approached. The bond dissociation energies obtained are D0(TiSe) = 3.998(6) eV, D0(ZrSe) = 4.902(3) eV, D0(HfSe) = 5.154(4) eV, D0(VSe) = 3.884(3) eV, D0(NbSe) = 4.834(3) eV, and D0(TaSe) = 4.705(3) eV. Using these dissociation energies, the enthalpies of formation were found to be Δf,0 KHo(TiSe(g)) = 320.6 ± 16.8 kJ mol-1, Δf,0 KHo(ZrSe(g)) = 371.1 ± 8.5 kJ mol-1, Δf,0 KHo(HfSe(g)) = 356.1 ± 6.5 kJ mol-1, Δf,0 KHo(VSe(g)) = 372.9 ± 8.1 kJ mol-1, Δf,0 KHo(NbSe(g)) = 498.9 ± 8.1 kJ mol-1, and Δf,0 KHo(TaSe(g) ) = 562.9 ± 1.5 kJ mol-1. Comparisons are made to previous work, when available. Also reported are calculated ground state electronic configurations and terms, dipole moments, vibrational frequencies, bond lengths, and bond dissociation energies for each molecule. A strong correlation of the measured bond dissociation energy with the radial expectation value, ⟨r⟩nd, for the metal atom is found.

  4. 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.

  5. First-principles investigations of metal (V, Nb, Ta)-doped monolayer MoS2: Structural stability, electronic properties and adsorption of gas molecules

    NASA Astrophysics Data System (ADS)

    Zhu, Jia; Zhang, Hui; Tong, Yawen; Zhao, Ling; Zhang, Yongfan; Qiu, Yuzhi; Lin, Xianning

    2017-10-01

    Two-dimensional (2D) layered materials are at the forefront of research because of their unique structures and promising catalytic abilities. Here, the structural stability, electronic properties and gas adsorption of metal (V, Nb, Ta)-doped monolayer MoS2 have been investigated by density functional theory calculations. Our results show that the metal (V, Nb, Ta)-doped monolayer MoS2 is a stable catalyst under room temperature, due to the strong interaction between the doped metals (V, Nb, Ta) and S vacancy of monolayer MoS2. Compared with the gas adsorption (CO, NO2, H2O, NH3) on pristine monolayer MoS2, doped metal (V, Nb, Ta) can significantly improve the adsorption properties, chemical activity and the sensitivity of that of adsorbed gas molecules. This effect occurs due to the strong overlap between the metal nd orbitals and gas molecule orbitals, result in activation of the adsorbed gas molecules. Analysis of Bader charge shows that, more charge transfer (-0.66 e to -0.72 e) occur from metal (V, Nb, Ta)-doped monolayer MoS2 to the oxidizing gas molecules (NO2) acting as acceptors. While for the adsorption of CO molecules, the relative less electrons (about -0.24 e - -0.35 e) transfer occuring from substrate to the adsorbed gases. Whereas the direction of charge transfers is reversed for the adsorption of the reducing gas (H2O and NH3) behaving as donors, in which small electrons (0.04 e -0.09 e) transfer from adsorbed gas to metal (V, Nb, Ta)-doped monolayer MoS2. Our results suggested that metal (V, Nb, Ta)-doped monolayer MoS2 might be a good candidate for low-cost, highly active, and stable catalysts and gas sensors, providing an avenue to facilitate the design of high active MoS2-based two dimensional catalysts and gas sensors.

  6. Memcapacitive characteristics in reactive-metal (Mo, Al)/HfO{sub X}/n-Si structures through migration of oxygen by applied voltage

    SciTech Connect

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

    2016-02-01

    Memcapacitive characteristics were investigated in metal-oxide-semiconductor (MOS) structure of reactive electrode (Mo, Al) and hafnium oxide (HfO{sub X}) 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 HfO{sub X} to reactive electrodes by applied voltage, which altered the permittivity of HfO{sub X}.

  7. Mechanical properties of monolayer sulphides: a comparative study between MoS2, HfS2 and TiS3.

    PubMed

    Kang, Jun; Sahin, Hasan; Peeters, François M

    2015-11-07

    The in-plane stiffness (C), Poisson's ratio (ν), Young's modulus and ultimate strength (σ) along two different crystallographic orientations are calculated for the single layer crystals: MoS2, HfS2 and TiS3 in 1H, 1T and monoclinic phases. We find that MoS2 and HfS2 have isotropic in-plane stiffnesses of 124.24 N m(-1) and 79.86 N m(-1), respectively. While for TiS3 the in-plane stiffness is highly anisotropic due to its monoclinic structure, with Cx = 83.33 N m(-1) and Cy = 133.56 N m(-1) (x and y are parallel to its longer and shorter in-plane lattice vectors.). HfS2 which is in the 1T phase has the smallest anisotropy in its ultimate strength, whereas TiS3 in the monoclinic phase has the largest. Along the armchair direction MoS2 has the largest σ of 23.48 GPa, whereas along y TiS3 has the largest σ of 18.32 GPa. We have further analyzed the band gap response of these materials under uniaxial tensile strain, and find that they exhibit different behavior. Along both armchair and zigzag directions, the band gap of MoS2 (HfS2) decreases (increases) as strain increases, and the response is almost isotropic. For TiS3, the band gap decreases when strain is along x, while if strain is along y, the band gap increases first and then decreases beyond a threshold strain value. The different characteristics observed in these sulphides with different structures shed light on the relationship between the structure and properties, which is useful for applications in nanotechnology.

  8. Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): experimental and first-principles approaches.

    PubMed

    Akamatsu, Hirofumi; Fujita, Koji; Hayashi, Hiroyuki; Kawamoto, Takahiro; Kumagai, Yu; Zong, Yanhua; Iwata, Koji; Oba, Fumiyasu; Tanaka, Isao; Tanaka, Katsuhisa

    2012-04-16

    A comparative study of the crystal and electronic structure and magnetism of divalent europium perovskite oxides EuMO(3) (M = Ti, Zr, and Hf) has been performed on the basis of both experimental and theoretical approaches playing complementary roles. The compounds were synthesized via solid-state reactions. EuZrO(3) and EuHfO(3) have an orthorhombic structure with a space group Pbnm at room temperature contrary to EuTiO(3), which is cubic at room temperature. The optical band gaps of EuZrO(3) and EuHfO(3) are found to be about 2.4 and 2.7 eV, respectively, much larger than that of EuTiO(3) (0.8 eV). On the other hand, the present compounds exhibit similar magnetic properties characterized by paramagnetic-antiferromagnetic transitions at around 5 K, spin flop at moderate magnetic fields lower than 1 T, and the antiferromagnetic nearest-neighbor and ferromagnetic next-nearest-neighbor exchange interactions. First-principles calculations based on a hybrid Hartree-Fock density functional approach yield lattice constants, band gaps, and magnetic interactions in good agreement with those obtained experimentally. The band gap excitations are assigned to electronic transitions from the Eu 4f to Mnd states for EuMO(3) (M = Ti, Zr, and Hf and n = 3, 4, and 5, respectively).

  9. Electronic Transport in Bilayer MoS2 Encapsulated in HfO2.

    PubMed

    Matis, Bernard R; Garces, Nelson Y; Cleveland, Erin R; Houston, Brian H; Baldwin, Jeffrey W

    2017-08-23

    The exact nature of the interface between a two-dimensional crystal and its environment can have a significant impact on the electronic transport within the crystal, and can place fundamental limitations on transistor performance and long-term functionality. Two-dimensional transition-metal dichalcogenides are a new class of transistor channel material with electronic properties that can be tailored through dielectric engineering of the material/environmental interface. Here, we report electrical transport measurements carried out in the insulating regime of bilayer molybdenum disulfide, which has been encapsulated within a high-κ hafnium oxide dielectric. Temperature- and carrier-density-dependent measurements show that for T < 130 K the transport is governed by resonant tunneling, and at T = 4.2 K the tunneling peak lineshape is well-fitted by a Lorentzian with an amplitude less than e(2)/h. Estimates of tunneling time give τ ∼ 1.2 ps corresponding to a frequency f ∼ 0.84 THz. The tunneling processes are observable up to T ∼ 190 K (more than a factor of 6 higher than that previously reported for MoS2 on SiO2) despite the onset of variable range hopping at T ∼ 130 K, demonstrating the coexistence of the two transport processes within the same temperature range. At constant temperature, varying the Fermi energy allows experimental access to each transport process. The results are interpreted in terms of an increase in charge carrier screening length and a decrease in electron-phonon coupling induced by the hafnium oxide. Our results represent the first demonstration of the intermediate tunneling-hopping transport regime in a two-dimensional material. The results suggest that interface engineering may be a macroscopic tool for controlling quantum transport within such materials as well as for increasing the operating temperatures for resonant-tunneling devices derived from such materials, with applications in high-frequency electronics and logic devices.

  10. Nanostructured multielement (TiHfZrNbVTa)N coatings before and after implantation of N+ ions (1018 cm-2): Their structure and mechanical properties

    NASA Astrophysics Data System (ADS)

    Pogrebnjak, A. D.; Bondar, O. V.; Borba, S. O.; Abadias, G.; Konarski, P.; Plotnikov, S. V.; Beresnev, V. M.; Kassenova, L. G.; Drodziel, P.

    2016-10-01

    Multielement high entropy alloy (HEA) nitride (TiHfZrNbVTa)N coatings were deposited by vacuum arc and their structural and mechanical stability after implantation of high doses of N+ ions, 1018 cm-2, were investigated. The crystal structure and phase composition were characterized by X-ray diffraction (XRD) and Transmission Electron Microscopy, while depth-resolved nanoindentation tests were used to determine the evolution of hardness and elastic modulus along the implantation depth. XRD patterns show that coatings exhibit a main phase with fcc structure, which preferred orientation varies from (1 1 1) to (2 0 0), depending on the deposition conditions. First-principles calculations reveal that the presence of Nb atoms could favor the formation of solid solution with fcc structure in multielement HEA nitride. TEM results showed that amorphous and nanostructured phases were formed in the implanted coating sub-surface layer (∼100 nm depth). Concentration of nitrogen reached 90 at% in the near-surface layer after implantation, and decreased at higher depth. Nanohardness of the as-deposited coatings varied from 27 to 38 GPa depending on the deposition conditions. Ion implantation led to a significant decrease of the nanohardness to 12 GPa in the implanted region, while it reaches 24 GPa at larger depths. However, the H/E ratio is ⩾0.1 in the sub-surface layer due to N+ implantation, which is expected to have beneficial effect on the wear properties.

  11. Effect of annealing temperature on microstructure and superelastic properties of a Ti-18Zr-4.5Nb-3Sn-2Mo alloy.

    PubMed

    Fu, Jie; Kim, Hee Young; Miyazaki, Shuichi

    2017-01-01

    In this study a new superelastic Ti-18Zr-4.5Nb-3Sn-2Mo alloy was prepared by adding 2at% of Mo as a substitute for Nb to the Ti-18Zr-11Nb-3Sn alloy, and heat treatment at different temperatures was conducted. The temperature dependence of superelasticity and annealing texture was investigated. Texture showed a dependence of annealing temperature: the specimen annealed at 923K for 0.3ks exhibited {113}β<47¯1>β type texture which was similar to the deformation texture, while specimens annealed at 973, 1073K, and 1173K showed {001}β<110>β type recrystallization texture which was preferable for recovery strain. The largest recovery strain of 6.2%, which is the same level as that of the Ti-18Zr-11Nb-3Sn alloy, was obtained in the specimen annealed at 1173K for 0.3ks due to the well-developed {001}β<110>β type recrystallization texture. The Ti-18Zr-3Nb-3Sn-2Mo alloy presented a higher tensile strength compared with the Ti-18Zr-11Nb-3Sn alloy when heat treated at 1173K for 0.3ks, which was due to the solid solution strengthening effect of Mo. Annealing at 923K for 0.3ks was effective in obtaining a good combination of a high strength as 865MPa and a large recovery strain as 5.6%. The high recovery strain was due to the high stress at which the maximum recovery stain was obtained which was attributed to the small grain size formed at low annealing temperature. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Combined electrical transport and capacitance spectroscopy of a MoS2-LiNbO3 field effect transistor

    NASA Astrophysics Data System (ADS)

    Michailow, Wladislaw; Schülein, Florian J. R.; Möller, Benjamin; Preciado, Edwin; Nguyen, Ariana E.; von Son, Gretel; Mann, John; Hörner, Andreas L.; Wixforth, Achim; Bartels, Ludwig; Krenner, Hubert J.

    2017-01-01

    We have measured both the current-voltage ( ISD - VGS ) and capacitance-voltage (C- VGS ) characteristics of a MoS2-LiNbO3 field effect transistor. From the measured capacitance, we calculate the electron surface density and show that its gate voltage dependence follows the theoretical prediction resulting from the two-dimensional free electron model. This model allows us to fit the measured ISD - VGS characteristics over the entire range of VGS . Combining this experimental result with the measured current-voltage characteristics, we determine the field effect mobility as a function of gate voltage. We show that for our device, this improved combined approach yields significantly smaller values (more than a factor of 4) of the electron mobility than the conventional analysis of the current-voltage characteristics only.

  13. Phase composition of Al-Ti-Nb-Mo γ alloys in the heat-treatment temperature range: Calculation and experiment

    NASA Astrophysics Data System (ADS)

    Belov, N. A.; Dashkevich, N. I.; Bel'tyukova, S. O.

    2015-07-01

    The phase composition of TNM-type Al-Ti-Nb-Mo γ alloys at heat-treatment temperatures is quantitatively studied using the Thermo-Calc program package and experimental methods. Isothermal cross sections are calculated and the joint influence of two alloying elements on the phase composition of the alloy is determined at the mean concentration of a third component. Based on the calculations of vertical cross sections, the boundaries of the four-phase eutectoid reaction α → α2 + β + γ are found. The temperature is shown to significantly influence the phase compositions of the γ alloys, among them the mass fractions of various phases (α, β, γ,α2) and the element concentration in them.

  14. Characterization of MoVTeNbOx catalysts during oxidation reactions using in situ/operando techniques: A review

    DOE PAGES

    Lwin, Soe; Diao, Weijian; Baroi, Chinmoy; ...

    2017-04-08

    The domestic fossil feedstock in recent years is shifting towards light hydrocarbons due to abundance of shale gas from hydraulic fracturing. This shift induces a need for greater flexibility in both new and existing processing plants to produce consumer products (polymers, paints, lubricants, etc.) from new feedstocks. The oxidative catalytic reactions operate at milder conditions than the processing of feedstocks through steam cracking. The conversion of light feedstocks (C3 and shorter hydrocarbons) to high value chemicals through highly selective catalysts in the presence of oxygen plays a crucial role in eliminating wastes, reducing greenhouse gas emissions and lowering market prices.more » Among all catalysts for light hydrocarbon processing through oxidation reactions, bulk mixed metal oxides such as MoVTe(Sb)NbOx catalysts are the most promising due to their performance under favorable reaction conditions (temperature, pressure, etc). Here, state-of-the-art in situ/operando techniques along with transient kinetics can revolutionize the development of catalysts by providing information about the nature of active sites, intermediates and kinetics under realistic industrial conditions. Only through detailed understanding of these catalyst behaviors can new synthesis methods be developed that will improve reactivity, selectivity and lifetimes of these catalysts. In this review, dynamic changes of this mixed oxide catalyst during the reaction (such as changes in surface composition, oxidation states, acidity, etc) are discussed mainly from knowledge and insights obtained from these in situ/operando approaches. The most common oxidation reactions driven by the MoVTeNbOx catalysts and studied under operando/in situ conditions to be discussed here are: (1) oxidative dehydrogenation of light alkanes (ethane and propane), (2) propane ammoxidation to acrylonitrile and (3) selective oxidation of propane to acrylic acid.« less

  15. 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.

  16. NbTiSiMo-X Alloys-Composition, Microstructure Refinement and Properties (Preprint)

    DTIC Science & Technology

    2009-03-01

    500MPa at 1,200°C). Unfortunately, these alloys have an inhomogeneous size and spatial distribution of silicides , low fracture strength under tension...300MPa) at all temperatures, and low oxidation resistance. The high volume fraction and non‐uniform size distribution of silicides were considered...alloy system. 15. SUBJECT TERMS Nb-base Silicides , Chemistry Modification, Refinement, Fracture, Oxidation Resistance 16. SECURITY

  17. Tunneling spectroscopy of superconducting MoN and NbTiN grown by atomic layer deposition

    SciTech Connect

    Groll, Nickolas R. Klug, Jeffrey A.; Claus, Helmut; Pellin, Michael J.; Proslier, Thomas; Cao, Chaoyue; Becker, Nicholas G.; Zasadzinski, John F.; Altin, Serdar

    2014-03-03

    A tunneling spectroscopy study is presented of superconducting MoN and Nb{sub 0.8}Ti{sub 0.2}N thin films grown by atomic layer deposition (ALD). The films exhibited a superconducting gap of 2 meV and 2.4 meV, respectively, with a corresponding critical temperature of 11.5 K and 13.4 K, among the highest reported T{sub c} values achieved by the ALD technique. Tunnel junctions were obtained using a mechanical contact method with a Au tip. While the native oxides of these films provided poor tunnel barriers, high quality tunnel junctions with low zero bias conductance (below ∼10%) were obtained using an artificial tunnel barrier of Al{sub 2}O{sub 3} on the film's surface grown ex situ by ALD. We find a large critical current density on the order of 4 × 10{sup 6} A/cm{sup 2} at T = 0.8T{sub c} for a 60 nm MoN film and demonstrate conformal coating capabilities of ALD onto high aspect ratio geometries. These results suggest that the ALD technique offers significant promise for thin film superconducting device applications.

  18. 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.

  19. Spark Plasma Sintering of AlN Ceramics and Surface Metallization by Refractory Metal of Ti, Nb, Mo, Ta or W at Low Temperature

    NASA Astrophysics Data System (ADS)

    Kai, Ayako; Johkoh, Naoji; Miki, Toshikatsu

    2003-06-01

    Aluminum nitride (AlN) powder with no additives was sintered successfully at 1200°C in low-pressure N2 gas using a spark plasma sintering (SPS) process. The density value of the resultant ceramic is as high as 95% of the theoretical one. No openings were left in the grain boundary. If AlN powder is sandwiched by refractory metal (Ti, Nb, Mo, Ta and W) foils during SPS, one obtains AlN ceramics metallized by the refractory metals even at 1200°C. The adhesion strength of Ti, Mo or W to AlN ceramics is sufficiently high, but that of Nb or Ta is low. The characterization of metal/AlN interfaces by X-ray diffractometory (XRD), scanning electron microscopy (SEM) and electron-probe microanalysis (EPMA) has revealed the formation of a thin reaction layer at the Ti/AlN interface, which may be the reason for the high adhesion strength of the Ti/AlN interface. The high adhesion strengths of Mo/AlN and W/AlN might also be associated with thinner metal/AlN reaction layers, which were unfortunately undetectable in our XRD data. The weak adhesion of Nb/AlN and Ta/AlN interfaces was elucidated by large differences in the thermal-expansion coefficient between metallic Nb or Ta and the AlN ceramics.

  20. 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.

  1. 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).

  2. Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors

    NASA Astrophysics Data System (ADS)

    Bauer, Dustin; Roberts, Alexander J.; Matsumi, Noriyoshi; Darr, Jawwad A.

    2017-05-01

    Nano-sized Mo-doped titania (Mo0.1Ti0.9O2) and Nb-doped titania (Nb0.25Ti0.75O2) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder x-ray diffraction, x-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive x-ray spectroscopy. Hybrid Li-ion supercapacitors were made with either a Mo-doped or Nb-doped TiO2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5-3.0 V, the Mo0.1Ti0.9O2/AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg-1 at a power of 180 W kg-1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb0.25Ti0.75O2/AC hybrid supercapacitor maintained its energy density of 45 Wh kg-1 at 180 W kg-1 better, showing 36 Wh g-1 at 3200 W kg-1, which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0-3.0 V led to an increase in power density, with the Mo0.1Ti0.9O2/AC hybrid supercapacitor giving energy densities of 12 Wh kg-1 and 2.5 Wh kg-1 at power densities of 6700 W kg-1 and 14 000 W kg-1, respectively.

  3. Development of a Mo-Si-B coating for Nb-based Alloys and the Effects of Zr Additions to Mo-Si-B Coatings for Enhanced Oxidation Protection in Ultra-High Temperature Applications

    NASA Astrophysics Data System (ADS)

    Lu-Steffes, Otto John

    Higher efficiencies and reduced emissions performance of fossil fuel energy systems are achieved with increasing operation temperatures. This increase in operating temperature requires the use of materials with higher melting points such as refractory metal alloys. However, refractory metals suffer from catastrophic oxidation in this type of environment. Thus, oxidation protection for refractory metal alloys is a crucial step in developing next generation ultra-high temperature materials. To meet this challenge, an oxidation resistant coating for Nb based alloys has been designed as well as the incorporation of zirconium into the Mo-Si-B coating to provide further corrosion protection and a reduction in temperature for the underlying multi-layered structure. Niobium samples coated with a Mo-Si-B coating demonstrate enhanced oxidation protection compared to samples only coated with Si-B. Thermogravimetric analysis testing at 1300°C for 24 hours for both the Mo-Si-B coated Nb and Nb-based alloys show enhanced oxidation protection with mass changes of 0.44 mg/cm2 and 0.55 mg/cm2, respectively, compared to the uncoated alloy that had a mass change of 87.6 mg/cm2. To demonstrate the design concept for a coating with thermal barrier behavior, Zr is added to the Mo-Si-B coating through the pack cementation technique. The resulting coating shows that the Zr reacts with the aluminosilica top layer to form Zr silicides and ZrO2. Upon oxidation, the coating forms a mixed top layer composed of borosilica, ZrO2 and ZrSiO 4. Oxidation testing of the Zr modified Mo-Si-B coating exhibits low mass change indicating that the coating provides oxidation protection and that the Zr additions do not interfere with the oxidation protection of the Mo-Si-B coating. Finite element modeling using object oriented finite element analysis of the coating structures yielded an evaluation of the mechanical and thermal properties of the coatings, providing insight into the thermal performance and

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

    SciTech Connect

    Cavazos, Ronaldo J.; Schak, Raymond E

    2004-07-02

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

  5. Dynamic environmental embrittlement of an [alpha][sub 2] titanium aluminide. [Ti-25Al-10Nb-3V-1Mo

    SciTech Connect

    Ward, C.H. ); Williams, J.C. ); Thompson, A.W. )

    1993-05-01

    Titanium aluminide alloys based on the [alpha][sub 2] phase were originally developed to extend the application range of titanium by providing improved elevated temperature strength and environmental resistance. These improvements were to come from the much larger concentrations of aluminum added to make these alloys. It was hoped that the increased amount of aluminum would favor the formation of a continuous, environmentally protective layer of alumina, Al[sub 2]O[sub 3], at the alloy's surface. Tensile and creep testing these alloys at elevated temperatures ([ge][approximately]450 C) in an air environment results in circumferential cracking along the specimen surface. This cracking can lead to premature failure as compared to vacuum testing. Balsone has observed this behavior in Ti-24Al-11Nb tensile tested in air. He repeated the tensile testing in vacuum at 550 C and 650 C, finding that the surface cracking disappeared and that the tensile elongation was significantly increased. From this, Balsone deduced that there was a significant effect of the environment, presumably oxygen embrittlement, on tensile properties at temperatures as low as 550 C. Vacuum tensile testing of Ti-25Al-10Nb-3V-1Mo (Ti-25-10-3-1) also results in a significant improvement in tensile elongation. The intent of the present investigation was to further study the effect of an air environment at elevated temperature on the tensile elongation of Ti-25-10-3-1. In particular, environmentally assisted surface crack growth into the tensile specimen was of interest.

  6. Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb

    NASA Astrophysics Data System (ADS)

    Thonig, Danny; Rauch, Tomáš; Mirhosseini, Hossein; Henk, Jürgen; Mertig, Ingrid; Wortelen, Henry; Engelkamp, Bernd; Schmidt, Anke B.; Donath, Markus

    2016-10-01

    We show that a series of transition metals with strained body-centered cubic lattice—W, Ta, Nb, and Mo—hosts surface states that are topologically protected by mirror symmetry and, thus, exhibits nonzero topological invariants. These findings extend the class of topologically nontrivial systems by topological crystalline transition metals. The investigation is based on calculations of the electronic structures and of topological invariants. The signatures of a Dirac-type surface state in W(110), e.g., the linear dispersion and the spin texture, are verified. To further support our prediction, we investigate Ta(110) both theoretically and experimentally by spin-resolved inverse photoemission: unoccupied topologically nontrivial surface states are observed.

  7. Reproducibility of the single-phase structural state of the multielement high-entropy Ti-V-Zr-Nb-Hf system and related superhard nitrides formed by the vacuum-arc method

    NASA Astrophysics Data System (ADS)

    Sobol', O. V.; Andreev, A. A.; Gorban', V. F.; Krapivka, N. A.; Stolbovoi, V. A.; Serdyuk, I. V.; Fil'chikov, V. E.

    2012-07-01

    The reproducibility of the single-phase structural state of the Ti-V-Zr-Nb-Hf multielement system (a high-entropy alloy) is demonstrated using the vacuum-arc method to prepare coatings based on this system. Single-phase high-entropy compounds with a bcc lattice typical of the molten state result from vacuum deposition; preparation in nitrogen atmosphere yields single-phases nitride superhard nanocrystalline coatings based on the fcc metallic lattice.

  8. 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.

  9. Enhanced negative thermal expansion and optical absorption of In0.6(HfMg)0.7Mo3O12 with oxygen vacancies

    NASA Astrophysics Data System (ADS)

    Cheng, Yongguang; Mao, Yanchao; Yuan, Baohe; Ge, Xianghong; Guo, Juan; Chao, Mingju; Liang, Erjun

    2017-07-01

    A negative thermal expansion (NTE) material In0.6(HfMg)0.7Mo3O12 with oxygen vacancies was successfully synthesized through He atmosphere annealing. It was found that the introduction of oxygen vacancies enhanced the coefficient of NTE by about an order of magnitude larger. It can be attributed to the increased flexibility of the polyhedra in the framework structure. The introduction of oxygen vacancies also weakened the Mdbnd O bonds and obviously enhanced the optical absorption in the visible light region. This work provides a promising strategy to effectively improve the NTE and optical properties of traditional NTE materials by introducing oxygen vacancies.

  10. Li6La3SnMO12 (M = Sb, Nb, Ta), a Family of Lithium Garnets with High Li-Ion Conductivity

    SciTech Connect

    Bridges, Craig A; Goodenough, J. B.; Gupta, Dr Asha; Nakanishi, Masahiro; Paranthaman, Mariappan Parans; Sokolov, Alexei P; Bi, Zhonghe; Li, Yutao; Han, Jiantao; Dong, Youzhong; Wang, Long; Xu, Maowen

    2012-01-01

    In order to investigate the influence of covalent bonding within the garnet framework on the conductivity of Li+ in the interstitial space, the Li+ conductivities in the family of Sn-based compounds Li6La3 SnMO12 (M = Sb, Nb, Ta) have been obtained and are compared with those of Li6La3ZrMO12. Refinement of the neutron diffraction pattern of Li6La3 SnNbO12shows that the interstitial tetrahedral sites (24d ) are about half-occupied and most of the Li in the interstitial bridging octahedral sites are displaced from the center position (48g ). The Sb-based compound has the largest lattice parameter while the Ta-based compound has the highest Li+-ion conductivity of 0.42 10 4 Scm 1.

  11. The production of sup 49 V, sup 93 Mo, sup 93m Nb and other long-lived isotopes in fusion materials with 14 MeV neutrons

    SciTech Connect

    Greenwood, L.R.; Bowers, D.L.

    1989-01-01

    Results are presented for measurements of neutron cross sections for the production of {sup 49}V (331 d) from vanadium and for {sup 93}Mo (3500 a) and {sup 93m}Nb (16 a) from natural and {sup 94}Mo-enriched molybdenum targets near 14 MeV. The targets were irradiated at the Rotating Target Neutron Source II to fluences up to 10{sup 18} n/cm{sup 2}. Radiochemical separations were performed to separate the desired nuclides from interferring activities. Activity measurements were then performed using x-ray counting techniques. Results are compared with calculations and the measured cross sections are used to predict the level of these activities in a first-wall fusion reactor material. Previous results are also reviewed for similar measurements of the production of {sup 55}Fe, {sup 63}Ni, {sup 59}Ni, {sup 94}Nb, and {sup 91}Nb. Comparisons with theoretical calculations suggest possible revisions of the halflives of {sup 59}Ni and {sup 91}Nb.

  12. 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.

  13. 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.

  14. 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.

  15. 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. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Oxidation Behavior of a Refractory NbCrMo0.5Ta0.5TiZr Alloy

    DTIC Science & Technology

    2014-04-01

    better combination of mechanical properties and oxidation resistance than commercial Nb alloys and earlier reported developmental Nb–Si–Al–Ti and Nb...The alloy has a better combination of mechanical properties and oxidation resistance than com- mercial Nb alloys and earlier reported developmental Nb...damage, is dif- ficult to achieve [2]. Thus, new metallic systems with higher melting points and a good balance of structural properties at high

  17. Iron-base superalloys - A phase analysis of the multicomponent system (Fe-Mn-Cr-Mo-Nb-Al-Si-C)

    NASA Technical Reports Server (NTRS)

    Gupta, H.; Nowotny, H.; Lemkey, F. D.

    1988-01-01

    In the course of studies on the iron-rich multicomponent system Fe-Mn-Cr-Mo-Nb-Al-Si-C, work was concentrated on pertinent quinary and six-component combinations namely Fe-Mn-Al-Si-C, Fe-Cr-Al-Si-C and Fe-Mn-Cr-Al-Si-C which had been elaborated at 65, 72, and 80 wt pct Fe. Manganese acts as a strong stabilizer for the cementite carbide. Chromium seems to stabilize the iron aluminide Fe2Al5 which forms in a considerable amount within an alloy of nominal composition Fe(65)Mn(15)Cr(12)Al(5)Si(2)C(1) (percent by weight). Although the Mn3AlC carbide is, like Fe3AlC, a perovskite carbide, manganese does not appear to favor the formation of the perovskite carbide. Because of the relatively low sintering temperature (700 C), for al large portion of the samples equilibria conditions are not always reached.

  18. 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.

  19. 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.

  20. Metastable β-type Ti-30Nb-1Mo-4Sn Alloy with Ultralow Young's Modulus and High Strength

    NASA Astrophysics Data System (ADS)

    Hu, Liang; Guo, Shun; Meng, Qingkun; Zhao, Xinqing

    2014-02-01

    The effect of thermo-mechanical treatment on the mechanical properties of a novel metastable β-type Ti-30Nb-1Mo-4Sn (wt pct) alloy has been investigated. The solution-treated alloy consists of β and α″ phases and exhibits a two-stage yielding with a low yield stress (around 100 MPa). After cold rolling at a reduction of 87.5 pct and subsequent annealing treat at 623 K (350 °C) for 30 minutes, a fine microstructure with nano-sized α precipitates distributed in small β grains as well as high density of dislocations was obtained to achieve a yield strength of 954 MPa and an ultimate tensile strength of 999 MPa. With low stability of β phase and small volume fraction of α precipitates, the annealed specimen exhibits a low Young's modulus of 45 GPa. Such an excellent combination of the low elastic modulus and high strength in mechanical properties indicates a great potential candidate for biomedical applications.

  1. Electronic structures and transport properties of a MoS2-NbS2 nanoribbon lateral heterostructure.

    PubMed

    Yang, Zhixiong; Pan, Jiangling; Liu, Qi; Wu, Nannan; Hu, Mengli; Ouyang, Fangping

    2017-01-04

    Lateral heterostructures built from an armchair MoS2 nanoribbon (AMoS2NR) and an armchair NbS2 nanoribbon (ANbS2NR) were studied based on first-principles calculations and a non-equilibrium Green's function method. It is found that the work function of the AMoS2NR shows substantial oscillation with increasing nanoribbon width, which is different from the work functions of other kinds of nanoribbons. The AMoS2NR-ANbS2NR lateral heterostructure exhibits an anomalous transport gap that is much larger than the bandgap of the AMoS2NR. As a result, a field effect transistor with AMoS2NR as the channel and ANbS2NRs as electrodes has high on-off ratios of 10(6)-10(7) and a tiny leakage current of the order of 10(-8) μA. These results suggest that lateral metal-semiconductor heterostructures of transition metal dichalcogenides may have potential applications in nanodevices with low energy consumption.

  2. Initial osteoblast functions on Ti-5Zr-3Sn-5Mo-15Nb titanium alloy surfaces modified by microarc oxidation.

    PubMed

    Zhao, Lingzhou; Wei, Yanping; Li, Jianxue; Han, Yong; Ye, Ruidong; Zhang, Yumei

    2010-02-01

    This study is intended to evaluate the effects of microarc oxidation (MAO) on the biocompatibility of near beta titanium alloy Ti-5Zr-3Sn-5Mo-15Nb (TLM) in vitro. Two porous bioactive surfaces with different surface characteristics were grown on TLM substrates via MAO process at two different final voltages. Both calcium and phosphorus were incorporated into the oxidized surfaces, and their content was dependent on the voltage applied. Surface roughness was enhanced on the MAO surfaces, which was higher when a higher voltage was applied. After MAO treatment, water contact angles became smaller and surface energies were increased, especially the polar components, which were also related to the MAO final voltage. Cell culture experiments showed an enhanced osteoblasts adhesion, spread, and viability on the microarc oxidized surfaces, and better cell spread and viability were found on the surface formed at 450 V than that at 300 V. No obvious variations in gene expression of integrin beta1 (Itg beta 1), core binding factor-alpha1, osteopontin, collagen type I alpha2-chain, and fibronectin by osteoblasts were observed on different surfaces. The expression of osteocalcin was strikingly increased on MAO surfaces after 72 h, thus indicating enhanced osteoblasts differentiation on MAO surfaces. Interestingly, obvious enhanced bone morphogenetic proteins (BMP)-2 and BMP-4 expression was observed on MAO surfaces, which may be a reason for the enhanced osteoblasts functions on MAO-modified TLM surfaces. (c) 2009 Wiley Periodicals, Inc.

  3. 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.

  4. Geology and genesis of the Toongi rare metal (Zr, Hf, Nb, Ta, Y and REE) deposit, NSW, Australia, and implications for rare metal mineralization in peralkaline igneous rocks

    NASA Astrophysics Data System (ADS)

    Spandler, Carl; Morris, Caitlin

    2016-12-01

    The Toongi Deposit, located in central NSW, Australia, hosts significant resources of Zr, Hf, Nb, Ta, Y and REE within a small (ca. 0.3 km2), rapidly cooled trachyte laccolith. Toongi is part of regional Late Triassic to Jurassic alkaline magmatic field, but is distinguished from the other igneous bodies by its peralkaline composition and economically significant rare metal content that is homogenously distributed throughout the trachyte body. The primary ore minerals are evenly dispersed throughout the rock and include lueshite/natroniobite and complex Na-Fe-Zr-Nb-Y-REE silicate minerals dominated by a eudialyte group mineral (EGM). The EGM occurs in a unique textural setting in the rock, commonly forming spheroidal or irregular-shaped globules, herein called "snowballs", within the rock matrix. The snowballs are often protruded by aegirine and feldspar phenocrysts and contain swarms of fine aegirine and feldspar grains that often form spiral or swirling patterns within the snowball. Secondary ore minerals include REE carbonates, Y milarite, catapleiite and gaidonnayite that fill fractures and vesicles in the rock. Based on bulk-rock geochemical and Nd isotope data, and thermodynamic modelling of magma fractionation, the alkaline rocks of the region are interpreted to represent extrusive to hyperbyssal products of mantle-derived magma that ponded at mid-crustal levels (ca. 0.3 GPa) and underwent extensive fractionation under low-oxygen fugacity conditions. The high Na2O, peralkaline nature of the Toongi Deposit trachyte developed via extensive fractionation of an alkali olivine basalt parental magma initially in the mid-crust and subsequently at shallow levels (ca. 0.1 GPa). This extended fractionation under low fO2 and relatively low H2O-activity conditions limited volatile release and allowed build-up of rare metal contents to ore grades. We speculate that the ore minerals may have originally formed from rare metal-rich sodic-silicate melt that formed immiscible

  5. Mathematical modeling of the hot strip rolling of microalloyed Nb, multiply-alloyed Cr-Mo, and plain C-Mn steels

    NASA Astrophysics Data System (ADS)

    Siciliano, Fulvio; Jonas, John J.

    2000-02-01

    Industrial mill logs from seven different hot strip mills (HSMs) were analyzed in order to calculate the mean flow stresses (MFSs) developed in each stand. The schedules were typical of the processing of microalloyed Nb, multiply-alloyed Cr-Mo, and plain C-Mn steels. The calculations, based on the Sims analysis, take into account work roll flattening, redundant strain, and the forward slip ratio. The measured stresses are then compared to the predictions of a model based on an improved Misaka MFS equation, in which solute effects, strain accumulation, and the kinetics of static recrystallization (SRX) and metadynamic recrystallization (MDRX) are fully accounted for. Good agreement between the measured and predicted MFSs is obtained over the whole range of rolling temperatures. The evolution of grain size and the fractional softening are also predicted by the model during all stages of strip rolling. Special attention was paid to the Nb steels, in which the occurrence of Nb(C, N) precipitation strongly influences the rolling behavior, preventing softening between passes. The present study leads to the conclusion that Mn addition retards the strain-induced precipitation of Nb; by contrast, Si addition has an accelerating effect. The critical strain for the onset of dynamic recrystallization (DRX) in Nb steels is derived, and it is shown that the critical strain/peak strain ratio decreases with increasing Nb content; furthermore, Mn and Si have marginal but opposite effects. It is demonstrated that DRX followed by MDRX occurs under most conditions of hot strip rolling; during the initial passes, it is due to high strains, low strain rates, and high temperatures, and, in the final passes, it is a consequence of strain accumulation.

  6. Effect of thermomechanical treatment on the superelasticity of Ti-7.5Nb-4Mo-2Sn biomedical alloy.

    PubMed

    Zhang, D C; Tan, C G; Tang, D M; Zhang, Y; Lin, J G; Wen, C E

    2014-11-01

    Effects of thermomechanical treatment on the microstructure and superelasticity of Ti-7.5Nb-4Mo-2Sn biomedical alloy were investigated by using XRD measurement, optical microscope (OM), transmission electron microscope (TEM) and tensile tests. The titanium alloy samples were prepared by annealing at a temperature in the range of 600 to 1000°C after severe cold rolling; and the samples that were annealed at 800°C were further aged at 600 and 700°C. The volume fraction of α phases decreased while that of ω phases increase with increasing annealing temperature. The α→β transformation temperature of the alloy was determined to be between 700 and 800°C. The alloy that was annealed at 700°C exhibited a high level of superelasticity with relatively high first yield stress (σSIM) at room temperature because it contained a fine α phase. A certain amount of ω phases also resulted in an increase in σSIM, leading to an improvement in the superelasticity of the alloys that were annealed at 900 and 1000°C. Aging treatment led to the precipitations of α and ω phases in the alloy after annealing at 800°C; and the volume fraction of α phases decreased while that of ω phases increased with increasing aging temperature. Excellent superelasticity with high recovered strain (εrecoverable) and strain recovery rate (η) were obtained in the aged alloy due to the reinforcement of α and ω phases induced by aging treatment. The alloy annealed at 700°C for 0.5h exhibited the best superelasticity in all the thermomechanically treated alloys due to the strengthening from the subgrain refining and the precipitating of fine α phases.

  7. 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

  8. Nano-sized Mo- and Nb-doped TiO2 as Anode Materials for High Energy and High Power Hybrid Li-Ion Capacitors.

    PubMed

    Bauer, Dustin; Roberts, Alexander; Matsumi, Noriyoshi; Darr, Jawwad A

    2017-03-29

    Nano-sized Mo-doped titania (Mo0.1Ti0.9O2) and Nb-doped titania (Nb0.25Ti0.75O2) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder X-ray diffraction, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive X-ray spectroscopy. Hybrid Li-Ion supercapacitors were made with either a Mo-doped or Nb-doped TiO2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5 to 3.0 V, the Mo0.1Ti0.9O2/AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg-1 at a power of 180 W kg-1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb0.25Ti0.75O2/AC hybrid supercapacitor maintained its energy density of 45 Wh kg-1 at 180 W kg-1 better, showing 36 Wh g-1 at 3200 W kg-1, which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0 to 3.0 V led to an increase in power density, with the Mo0.1Ti0.9O2/AC hybrid supercapacitor giving energy densities of 12 Wh kg-1 and 2.5 Wh kg-1 at power densities of 6700 W kg-1 and 14000 W kg-1, respectively.

  9. XPS and AES analysis of passive films on Fe-25Cr-X (X = Mo, V, Si and Nb) model alloys.

    PubMed

    Hubschmid, C; Landolt, D; Mathieu, H J

    1995-10-01

    Corrosion resistance of stainless steel is due to the presence of a thin passive film of typically 1-2 nm thickness. The influence of ternary alloying elements on the composition of passive films on Fe-Cr alloys and their pitting corrosion resistance has been investigated. Iron-chromium alloys were analyzed by XPS and AES with model alloys (Fe-25Cr-X with X = at % Mo, Si, V and Nb) formed in sulphate solution in the presence and absence of chloride ions. All ternary alloying elements increase the pitting potential compared to the corresponding binary alloy. Films formed in chloride containing sulphate solution contain both electrolyte anions. Scanning Auger microscopy reveals that for a two phase system such as Fe-25Cr-11Nb, the dendritic phase is enriched with chromium, while essentially all of the niobium is located in the interdendritic eutectic.

  10. Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Z.-H.; Wu, S.-Y.; Xu, P.; Li, L.-L.; Zhang, S.-X.

    2011-02-01

    The local structures and the spin Hamiltonian parameters for the substitutional Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals are theoretically studied using the perturbation formulas of these parameters for a 4d1 ion in a rhombically compressed octahedron. The above Nb4+ centers are found to experience the Jahn-Teller distortions, characteristic of the relative axial compressions (~ 0.01-0.02 Å) and the non-axial (planar) angular increases (~ 3°). As a result, the ligand octahedra are transformed from original elongation on host tetravalent cation sites to compression in the impurity centers, with additional non-axial distortions smaller than those in the hosts. The influences of the Jahn-Teller distortions and the ligand orbital contributions are also analyzed.

  11. 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.

  12. 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

    2016-10-01

    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).

  13. Topological insulators in the ordered double transition metals M2'M″C2 MXenes (M'=Mo , W; M″=Ti , Zr, Hf)

    NASA Astrophysics Data System (ADS)

    Khazaei, Mohammad; Ranjbar, Ahmad; Arai, Masao; Yunoki, Seiji

    2016-09-01

    The family of two-dimensional transition metal carbides, so called MXenes, has recently found new members with ordered double transition metals M2'M″C2 , where M' and M″ stand for transition metals. Here, using a set of first-principles calculations, we demonstrate that some of the newly added members, oxide M2'M″C2 (M'=Mo , W; M″=Ti , Zr, Hf) MXenes, are topological insulators. The nontrivial topological states of the predicted MXenes are revealed by the Z2 index, which is evaluated from the parities of the occupied bands below the Fermi energy at time reversal invariant momenta, and also by the presence of the edge states. The predicted M2'M″C2O2 MXenes show nontrivial gaps in the range of 0.041-0.285 eV within the generalized gradient approximation and 0.119-0.409 eV within the hybrid functional. The band gaps are induced by the spin-orbit coupling within the degenerate states with dx2-y2 and dx y characters of M' and M″, while the band inversion occurs at the Γ point among the degenerate dx2-y2/dx y orbitals and a nondegenerate d3 z2-r2 orbital, which is driven by the hybridization of the neighboring orbitals. The phonon dispersion calculations find that the predicted topological insulators are structurally stable. The predicted W-based MXenes with large band gaps might be suitable candidates for many topological applications at room temperature. In addition, we study the electronic structures of thicker ordered double transition metals M2'M2″C3O2 (M'=Mo , W; M″=Ti , Zr, Hf) and find that they are nontrivial topological semimetals. Among the predicted topological insulators and topological semimetals, Mo2TiC2 and Mo2Ti2C3 functionalized with a mixture of F, O, and OH have already been synthesized, and therefore some of the topological materials proposed here can be experimentally accessed.

  14. 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.

  15. Probing the valence orbitals of transition metal-silicon diatomic anions: ZrSi, NbSi, MoSi, PdSi and WSi.

    PubMed

    Gunaratne, K Don Dasitha; Berkdemir, Cuneyt; Harmon, C L; Castleman, A W

    2013-04-28

    Evolution of electronic properties and the nature of bonding of the 4d-transition metal silicides (ZrSi, NbSi, MoSi and PdSi) are discussed, revealing interesting trends in the transition metal-silicon interactions across the period. The electronic properties of select transition metal silicide diatomics have been determined by anion photoelectron imaging spectroscopy and theoretical methods. The electron binding energy spectra and photoelectron angular distributions obtained by 2.33 eV (532 nm) photons have revealed the distinct features of these diatomics. The theoretical calculations were performed at the density functional theory (DFT) level using the unrestricted B3LYP hybrid functional and at the ab initio unrestricted coupled cluster singles and doubles (triplets) (UCCSD(T)) methods to assign the ground electronic states of the neutral and anionic diatomics. The excited electronic states were calculated by the DFT (TD-DFT)/UB3LYP method. We have observed that the valence molecular orbital configuration of the ZrSi and NbSi anions are significantly different from that of the MoSi and PdSi anions. By combining our experimental and theoretical results, we report that the composition of the highest occupied molecular orbitals shift from a majority of transition metal s- and d-orbital contribution in ZrSi and NbSi, to mainly silicon p-orbital contribution for MoSi and PdSi. We expect these observed atomic scale transition metal-silicon interactions to be of increasing importance with the miniaturization of devices approaching the sub-nanometer size regime.

  16. 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.

  17. Improved upconversion luminescence and temperature sensing in Mo6+-doped LuNbO4:Er3+ phosphor under 1550 nm excitation

    NASA Astrophysics Data System (ADS)

    Tian, Bining; Chen, Baojiu; Sun, Jiashi; Li, Xiangping; Zhang, Jinshu; Hua, Ruinian

    2016-11-01

    LuNbO4: Mo6+,Er3+ phosphors were prepared via a solid-state reaction and characterized by x-ray diffraction (XRD) and upconversion luminescence (UCL) as well as temperature-dependent UC spectra. Under 1550 nm excitation, the characteristic UCL of the Er3+ ion, which originates from a three-photon process, is observed. An obvious UC enhancement can be found when the Mo6+ ions are doped, which may be attributed to the lower symmetry around Er3+. The optical thermometry behavior was studied as well. It is found that the maximum sensitivity is improved from 0.0053 K-1 to 0.0069 K-1 and the temperature revolution increases from 1.0 K to 0.7 K. Therefore, this work will provide a path for improving UCL and sensing sensitivity in Er3+-doped systems at an excitation of 1550 nm.

  18. 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.

  19. Defect-Associated Thermoelectric Transport Properties of Dual-Substituted CaMn1-x Nb x/2M x/2O3 (M = Mo, W; 0.02 ≤ x ≤ 0.06)

    NASA Astrophysics Data System (ADS)

    Bose, Rapaka S. C.; Nag, Abanti

    2017-08-01

    We report thermoelectric transport properties of dual-substituted CaMn1-x Nb x/2M x/2O3 (M = Mo, W; 0.02 ≤ x ≤ 0.06) synthesized by conventional solid-state methodology. The electrical resistivity decreases with the increase of the doping level, which indicates an increase in charge-carrier concentration in the system. The increase in carrier concentration leads to the formation of Mn3+ ions with e g 1electrons in the Mn4+ matrix of CaMn1-x Nb x/2M x/2O3 (M = Mo, W). The electrical resistivity shows non-metal-like temperature dependence. In contrast, the Seebeck coefficient of CaMn1-x Nb x/2M x/2O3 (M = Mo, W) initially decreases with temperature up to 550 K and then increases. The dual substitution by pentavalent Nb and hexavalent Mo or W at the Mn-site causes partial reduction of Mn4+ → Mn3+ and produces a defect center in the Mn-sublattice of CaMn1-x Nb x/2M x/2O3 (M = Mo, W). This defect center acts as a static point-like defect center to cause an additional contribution to the entropy of the system which results in an increase of the Seebeck coefficient with temperature. The highest power factor obtained is of 192 μW m-1 K-2 at 950 K for CaMn0.96Nb0.02Mo0.02O3.

  20. Synthesis, crystal structures and magnetic properties of fluorite-related compounds Ce3MO7 (M = Nb, Ta)

    NASA Astrophysics Data System (ADS)

    Inabayashi, Masaki; Doi, Yoshihiro; Wakeshima, Makoto; Hinatsu, Yukio

    2017-10-01

    Ternary oxides Ce3NbO7 and Ce3TaO7 were successfully synthesized by the solid state reaction under flowing hydrogen atmosphere. The structures were determined by the powder X-ray diffraction. Both the compounds were crystallized in the orthorhombic space groups Pnma (for Ce3NbO7) and Cmcm (for Ce3TaO7). Both the structures have similar features: two kinds of infinite chains formed by corner-sharing NbO6 (TaO6) octahedra and edge-sharing Ce(1)O8 cubes, the slabs consisting of alternate chains, and 7-coordinated Ce(2) ions existing between the slabs. In the structure of Ce3NbO7, the NbO6 octahedra running along the a-axis are titled towards the 0 0 1 direction, while in the Ce3TaO7 structure, the TaO6 octahedra running along the c-axis are titled towards the 0 1 0 direction. Magnetic susceptibility measurements for Ce3NbO7 and Ce3TaO7 show that both compounds are paramagnetic down to 1.8 K, and confirm that the Ce ion is in the trivalent state. From specific heat (Cp) measurements, a rapid increase of Cp/T has been observed below 3 K for both the compounds, indicating the onset of magnetic ordering between Ce3+ ions at further lower temperatures.

  1. 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

    2014-05-07

    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.

  2. Deposition and cyclic oxidation behavior of a protective (Mo,W)(Si,Ge) [sub 2] coating on Nb-base alloys

    SciTech Connect

    Mueller, A.; Wang, G. . Dept. of Materials Science and Engineering); Rapp, R.A. )

    1992-05-01

    A multicomponent diffusion coating has been developed to protect Nb-base alloys from high-temperature environmental attach. A solid solution of molybdenum and tungsten disilicide (Mo, W)Si[sub 2], constituted the primary coating layer which supported a slow-growing protective silica scale in service. Germanium additions were made during the coating process to improve the cyclic oxidation resistance by increasing the thermal expansion coefficient of the vitreous silica film formed and to avoid pesting by decreasing the viscosity of the protective film. In this paper, the development of the halide-activated pack cementation coating process to produce this (Mo,W)(Si,Ge)[sub 2] coating on Nb-base alloys is described. The results of cyclic oxidation for coupons coated under different conditions in air at 1370[degrees]C are presented. Many coupons have successfully passed 200 1 h cyclic oxidation tests at 1370[degrees]C with weight-gain values in the range of 1.2 to 1.6 mg/cm[sup 2].

  3. Phase Composition of a CrMo0.5NbTa0.5TiZr High Entropy Alloy: Comparison of Experimental and Simulated Data (Postprint)

    DTIC Science & Technology

    2014-04-01

    COMPOSITION OF A CrMo0 5NbTa0 5TiZr HIGH ENTROPY ALLOY : COMPARISON OF EXPERIMENTAL AND SIMULATED DATA (POSTPRINT) 5a. CONTRACT NUMBER In-house 5b. GRANT...e15093796. 14. ABSTRACT Microstructure and phase composition of a CrMo0 5NbTa0 5TiZr high entropy alloy were studied in the as-solidified and heat...15. SUBJECT TERMS refractory high entropy alloy , microstructure and phase analysis, CALPHAD 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF

  4. 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.

  5. Electronic structures and properties of eight-coordinate metal-polyarsenic complexes MAs8n- (M = V, Nb, Ta, Cr, Mo, W, Mn, Tc, Re).

    PubMed

    Li, J; Wu, K

    2000-04-03

    The eight-coordinate early transition metal polyarsenic complexes, MAs(8)3- (M = V, Nb, Ta), MAs(8)2- (M = Cr, Mo, W), and MAs8- (M = Mn, Tc, Re), have been studied using density functional theory (DFT). The geometry optimizations of these complexes indicate that in the most stable structures the transition metal atoms are trapped in a crownlike cavity consisting of a zigzag eight-membered ring of As8 cluster. The scalar-relativistic effects and spin-orbit coupling effects on the electronic structures and energy levels were taken into account. The stabilities of gas-phase MAs8n- ions and bonding between the As8 ring and early transition metals are discussed on the basis of population analysis, atomization energies, and decomposition reaction energies. All these complex ions are found to be diamagnetic with notable HOMO-LUMO energy gaps. The vibrational frequencies and infrared absorption intensities of the MAs8n- series are predicted theoretically. Brief theoretical calculations of the similar MoA(8)2- pnictide ions indicate that the analogous P, Sb, and even Bi complexes are likely to be stable, whereas the crownlike MoN(8)2- is not a stable complex.

  6. 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

  7. 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

    2015-10-23

    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.

  8. 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.

  9. 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.

  10. 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

    2013-05-06

    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.

  11. Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+)

    NASA Astrophysics Data System (ADS)

    Chen, Lei; Wang, Zhigang; Li, Zhengqiang; Zhang, Rui-Qin

    2016-10-01

    Using density functional theory, this work presents a comprehensive analysis of nonresonant surface-enhanced Raman scattering enhancement of pyridine on M@Ag12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). Computational results indicate that the chemical enhancement of pyridine on M@Ag12 is closely associated with the charge properties of silver-caged clusters. Pyridine on negative clusters exhibits the strongest chemical enhancement with a factor of about 103, while the chemical enhancement is only about 102 for pyridine on neutral clusters and 10 for pyridine on positive clusters. The polarizability analyses elucidate the nature of the chemical enhancement that delocalized electrons of negative adsorption systems occupy higher molecular orbitals than those of neutral and positive adsorption systems, which can lead to stronger nonresonant chemical enhancement.

  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. 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.

  14. 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.

  15. Melt Viscosity of the Soft Magnetic Nanocrystalline Fe72.5Cu1Nb2Mo1.5Si14B9 Alloy

    NASA Astrophysics Data System (ADS)

    Tsepelev, Vladmir; Starodubtsev, Yuri; Konashkov, Victor

    2017-08-01

    Temperature dependences of the kinematic viscosity of a multicomponent Fe72.5Cu1Nb2Mo1.5Si14B9 melt have been studied. A critical temperature is detected above which the activation energy of the melt' viscous flow changes. Comparison of the temperature dependences of the kinematic viscosity of the melts prepared from the initial ingot and an amorphous ribbon shows that the melt viscosity essentially depends on the initial structural state of the alloy. In amorphous ribbon produced in the mode with overheating, and the melt is above the critical temperature, the enthalpy of crystallization grows; the following heat treatment results in an increase in magnetic permeability.

  16. 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.

  17. First-principles study of the mechanical properties of NiAl microalloyed by M (Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd)

    NASA Astrophysics Data System (ADS)

    Zhang, Caili; Han, Peide; Li, Jinmin; Chi, Mei; Yan, Lingyun; Liu, Yanping; Liu, Xuguang; Xu, Bingshe

    2008-05-01

    Structural, electronic and elastic properties for NiAl with 4d alloying elements M (Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd) have been studied using the first-principles pseudopotential density functional method within a generalized gradient approximation. From the elastic constants, C11, C12, C44, bulk modulus B0, Young's modulus E, the shear modulus G, the ratios of shear modulus to bulk modulus G/B0, negative Cauchy pressure parameter (C12 - C44) and Poisson's ratio ν calculated after structural full relaxation, M (Tc, Ru, Rh, Pd) alloying addition in NiAl has been shown to increase the stiffness of NiAl and improve its ductility. The density of states and charge density contour involving alloying additions of Ru were further investigated to clarify the electronic causes of the alloying additions.

  18. 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.

  19. Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+)

    NASA Astrophysics Data System (ADS)

    Chen, Lei; Wang, Zhigang; Li, Zhengqiang; Zhang, Rui-Qin

    2017-07-01

    Using density functional theory, this work presents a comprehensive analysis of nonresonant surface-enhanced Raman scattering enhancement of pyridine on M@Ag12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). Computational results indicate that the chemical enhancement of pyridine on M@Ag12 is closely associated with the charge properties of silver-caged clusters. Pyridine on negative clusters exhibits the strongest chemical enhancement with a factor of about 103, while the chemical enhancement is only about 102 for pyridine on neutral clusters and 10 for pyridine on positive clusters. The polarizability analyses elucidate the nature of the chemical enhancement that delocalized electrons of negative adsorption systems occupy higher molecular orbitals than those of neutral and positive adsorption systems, which can lead to stronger nonresonant chemical enhancement.

  20. First principle study on electronic structure, structural phase stability, optical and vibrational properties of Ba2ScMO6 (M = Nb, Ta)

    NASA Astrophysics Data System (ADS)

    Rameshe, Balasubramaniam; Murugan, Ramaswamy; Palanivel, Balan

    2016-12-01

    First principle calculations are performed to investigate the electronic structure, structural phase stability, optical and vibrational properties of double perovskite oxide semiconductors namely Ba2ScMO6 (M = Nb, Ta) in the cubic symmetry using WIEN2k. In order to study the ground state properties of these compounds, the total energies are calculated as a function of reduced volumes and fitted with Brich Murnaghan equation. The estimated ground state parameters are comparable with the available experimental data. Calculations of electronic band structure on these compounds reveal that both Ba2ScNbO6 and Ba2ScTaO6 exhibit a semiconducting behavior with a direct energy gap of 2.78 and 3.15 eV, respectively. To explore the optical transitions in these compounds, the real and imaginary parts of the dielectric function, refractive index, extinction coefficient, reflectivity, optical absorption coefficient, real part of optical conductivity and the energy-loss function are calculated at ambient pressure and analyzed. The collective Raman active modes of the atoms of these materials are also calculated in order to understand the structural stability of these compounds.

  1. Polyphosphides NbMn/sub 2/P/sub 12/, MoMn/sub 2/P/sub 12/, and WMn/sub 2/P/sub 12/ with TiMn/sub 2/P/sub 12/-type structure

    SciTech Connect

    Scholz, U.D.; Jeitschko, W.; Reehuis, M.

    1988-06-01

    The title compounds are new and were prepared by reaction of the elemental components in a tin flux. They crystallize with the monoclinic (C2/c) TiMn/sub 2/P/sub 12/-type structure, which was refined for NbMn/sub 2/P/sub 12/ (R = 0.044 for 70 variable parameters and 1688 structure factors) and MoMn/sub 2/P/sub 12/ (R = 0.020 for 70 variables and 2871 F values). Chemical bonding in these compounds can be rationalized on the basis of classical two-electron bonds. In this simple bonding model the Mn atoms with octahedral P coordination (d/sup 2/sp/sup 3/hybrid) obtain a (low spin) d/sup 5/ system. They are displaced from the centers of their P octahedra to permit Mn-Mn bonding (Mn-Mn distances of 285.1 and 287.7 pm for the Nb and Mo compounds, respectively), thus compensating their spins. The early transition-metal atoms have square-antiprismatic P coordination (d/sup 4/sp/sup 3/ hybrid). In this model their fifth d orbital is filled with one (Nb) or two (Mo, W) electrons. Consequently MoMn/sub 2/P/sub 12/ and WMn/sub 2/P/sub 12/ are diamagnetic, while NbMn/sub 2/P/sub 12/ shows paramagnetism with a magnetic moment of ..mu.. = 1.96 ..mu../sub B/. The metallic conductivity of the three compounds is rationalized by the overlap of bonding and antibonding bands (semimetal). None of the compounds TMn/sub 2/P/sub 12/ (T = Ti, Nb, Mo, W) becomes superconducting down to 1.8 K.

  2. DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures

    NASA Astrophysics Data System (ADS)

    Kuzubov, A. A.; Kovaleva, E. A.; Popova, M. I.; Kholtobina, A. S.; Mikhaleva, N. S.; Visotin, M. A.; Fedorov, A. S.

    2017-10-01

    Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal3) (Zr, Ti and Nb iodides, Mo, Ru, Ti and Zr bromides and Ti or Zr chlorides) are investigated. These structures consist of transition metal atoms chains surrounded by halides atoms. Chains are connected to each other by weak interactions. All TMHal3 compounds were found to be conductive along chain axis except of MoBr3 which is indirect gap semiconductor. It was shown that NbI3 and MoBr3 have large magnetic moments on metal atoms (1.17 and 1.81 μB, respectively) but other TMHal3 materials have small or zero magnetic moments. For all structures ferromagnetic and anti-ferromagnetic phases have almost the same energies. The causes of these properties are debated.

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

    NASA Astrophysics Data System (ADS)

    Fors, Dan H. R.; Wahnström, Göran

    2010-11-01

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

  4. Microstructural investigation of plastically deformed Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy by X-ray diffraction and transmission electron microscopy

    SciTech Connect

    Dirras, G.; Gubicza, J.; Heczel, A.; Lilensten, L.; Couzinié, J.-P.; Perrière, L.; Guillot, I.; Hocini, A.

    2015-10-15

    The microstructure evolution in body-centered cubic (bcc) Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy during quasi-static compression test was studied by X-ray line profile analysis (XLPA) and transmission electron microscopy (TEM). The average lattice constant and other important parameters of the microstructure such as the mean crystallite size, the dislocation density and the edge/screw character of dislocations were determined by XLPA. The elastic anisotropy factor required for XLPA procedure was determined by nanoindentation. XLPA shows that the crystallite size decreased while the dislocation density increased with strain during compression, and their values reached about 39 nm and 15 × 10{sup 14} m{sup −2}, respectively, at a plastic strain of ~ 20%. It was revealed that with increasing strain the dislocation character became more screw. This can be explained by the reduced mobility of screw dislocations compared to edge dislocations in bcc structures. These observations are in line with TEM investigations. The development of dislocation density during compression was related to the yield strength evolution. - Highlights: • Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy was processed by arc-melting. • The mechanical was evaluated by RT compression test. • The microstructure evolution was studied by XLPA and TEM. • With increasing strain the dislocation character became more screw. • The yield strength was related to the development of the dislocation density.

  5. Mechanical behavior and microstructure of Ti{sub 20}Hf{sub 20}Zr{sub 20}Ta{sub 20}Nb{sub 20} high-entropy alloy loaded under quasi-static and dynamic compression conditions

    SciTech Connect

    Dirras, G.; Couque, H.; Lilensten, L.; Heczel, A.; Tingaud, D.; Couzinié, J.-P.; Perrière, L.; Gubicza, J.; Guillot, I.

    2016-01-15

    The microstructure and the mechanical behavior of equimolar Ti{sub 20}Hf{sub 20}Zr{sub 20}Ta{sub 20}Nb{sub 20} high-entropy alloy in a wide range of initial strain rates between ~ 10{sup −3} s{sup −1} and ~ 3.4 × 10{sup 3} s{sup −1} were studied. A significant increment in the yield strength with increasing strain rate was observed. The yield strength at ~ 3.4 × 10{sup 3} s{sup −1} was about 40% higher than that measured at ~ 10{sup −3} s{sup −1}. Analysis by electron backscatter diffraction shows that in the low strain rate regime (up to ~ 10 s{sup −1}) the deformation occurs mainly in evenly distributed bands, while in the dynamic regime the deformation is strongly localized in macroscopic shear bands accompanied by softening even after the onset of yielding. The Kernel Average Misorientation technique reveals a high level of lattice rotation within these bands that also carries intense shear. In addition, X-ray diffraction line profile analysis indicates that the sharp increase in the flow stress is mostly related to an increase of the dislocation density. - Highlights: • Strain rate effect on the plastic behavior of Ti{sub 20}Hf{sub 20}Zr{sub 20}Ta{sub 20}Nb{sub 20} HEA was studied. • Low strain rate regime was characterized by a continuous hardening. • At high strain rates softening occurred shortly after the onset of yielding. • Intense strain localization in shear bands occurred in the high strain rate regime. • High dislocation density explained the upturn of flow stress at high strain rates.

  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. 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.

  8. Experimental investigation of the dynamic elastic modulus and vibration damping in molybdenum and alumina-coated Ti-25Al-10Nb-3V-1Mo aluminides cycled at elevated temperatures

    SciTech Connect

    Wolfenden, A.; Cantu, M.W.; Vaidya, R.U.

    1996-04-01

    Titanium aluminides such as Ti-25Al-10Nb-3V-1Mo have became the focus of high temperature materials research due to their ability to maintain their strength up to 1,000{degree}C. However, at temperatures in excess of 650{degree}C, Ti-25Al-10Nb-3V-1Mo undergoes severe oxidation which, in turn, can degrade its mechanical properties. To address this problem, plasma sprayed coatings were applied to the substrate to provide protection in the high temperature environment. In this study, 0.1-0.125 mm thick alumina and molybdenum coatings were plasma sprayed onto a Ti-25Al-10Nb-3V-1Mo substrate. Changes in dynamic elastic modulus and vibration damping due to thermal cycling at elevated temperatures were measured. The modulus and damping were measured using the piezoelectric ultrasonic composite oscillator technique (PUCOT). The behavior of the Al{sub 2}O{sub 3} and Mo coated specimens was compared to that of the uncoated samples. Thermal cycling of the coated samples at 600{degree}C led to an increase in the modulus and decrease in the damping. Most of the changes in properties occurred after the first thermal cycle. Thermal cycling of the samples at 750{degree}C and 850{degree}C led to complete failure of the coatings. A specimen with a 1.0 mm alumina coating exhibited cracks even when cycled at 600{degree}C. 7 refs., 12 figs., 3 tabs.

  9. The stability of thermodynamically metastable phases in a Zr-Sn-Nb-Mo alloy: Effects of alloying elements, morphology and applied stress/strain

    NASA Astrophysics Data System (ADS)

    Yu, Hongbing; Yao, Zhongwen; Daymond, Mark R.

    2017-09-01

    In this paper, a dual phase Zr-Sn-Nb-Mb alloy was studied with TEM after thermal treatment and high-temperature tensile deformation. Plate and pressure tube material, manufactured through different processing routes, were used in this study. The overall average concentrations of Mo and Nb in the β phase are higher in the pressure tube than in the plate. It was revealed that these concentrations have significant effects on the subsequent stability of the β and ω phases as well as on the precipitation behavior of the α phase from the β phase. That is, the higher the concentrations, the more stable the β and ω phases are, and hence there is a reduced tendency for precipitation of α phase. Aging treatments cause the transformation of athermal ω to isothermal ω, as expected. The most striking finding is the product of the decomposition of the isothermal ω particles during aging treatment is determined as not being α phase, even though the structure of it is, as-yet, not fully determined. The non-uniform morphology of the β grains in the plate material provides us a unique opportunity to investigate the effects of morphology on the aging response of the β phase. It was found that thin β filaments suppress the precipitation of isothermal ω particles but enhance the precipitation of α phase at α/β interfaces. The effect of the Burgers orientation relationship between α and β grains on the precipitation of the α phase at the α/β interface is discussed. Applied high-temperature stress/strain has been found to enhance the decomposition of isothermal ω phase but suppress α precipitation inside the β grains. The suppression of α precipitation by applied stress/strain is discussed in terms of the ω assisted α precipitation. Implications of these findings for the in-service application of the alloy are discussed.

  10. Isovector excitations in 100Nb and their decays by neutron emission studied via the 100Mo (t ,3He + n) reaction at 115 MeV/u

    NASA Astrophysics Data System (ADS)

    Miki, K.; Zegers, R. G. T.; Austin, Sam M.; Bazin, D.; Brown, B. A.; Dombos, A. C.; Grzywacz, R. K.; Harakeh, M. N.; Kwan, E.; Liddick, S. N.; Lipschutz, S.; Litvinova, E.; Madurga, M.; Mustonen, M. T.; Ong, W. J.; Paulauskas, S. V.; Perdikakis, G.; Pereira, J.; Peters, W. A.; Robin, C.; Scott, M.; Spyrou, A.; Sullivan, C.; Titus, R.

    2017-06-01

    Spin-isospin excitations in 100Nb were studied via the 100Mo (t ,3He) charge-exchange reaction at 115 MeV/u with the goal to constrain theoretical models used to describe the isovector spin response of nuclei. The experiment was performed with a secondary beam of tritons, and 3He particles were analyzed in the S800 magnetic spectrometer. Decay by neutron emission from excited states in 100Nb was observed by using plastic and liquid scintillator arrays. Differential cross sections were analyzed and monopole excitations were revealed by using a multipole decomposition analysis. The Gamow-Teller transition strength observed at low excitation energies, which is important for estimating the electron-capture rate in astrophysical scenarios, was strongly fragmented and reduced compared to single-particle and spherical mean-field models. The consideration of deformation in the theoretical estimates was found to be important to better describe the fragmentation and strengths. A strong excitation of the isovector spin giant monopole resonance was observed, and well reproduced by the mean-field models. Its presence makes the extraction of Gamow-Teller strengths at high excitation energies difficult. The branches for statistical and direct decay by neutron emission were identified in the spectra. The upper limit for the branching ratio by direct decay (integrated over all observed excitations) was determined to be 20 ± 6%. Even though the statistical uncertainties in the neutron-coincident data were too large to perform detailed studies of the decay by neutron emission from individual states and resonances, the experiment demonstrates the feasibility of the method.

  11. 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.

  12. Tunneling Spectroscopy of Superconducting MoN and NbTiN Grown by Atomic Layer Deposition.

    SciTech Connect

    Groll, Nickolas; Klug, Jeffrey A.; Cao, Chaoyue; Altin, Serdar; Claus, Helmut; Becker, Nicholas G.; Zasadzinski, John; Pellin, Mike; Proslier, Thomas

    2014-03-03

    A tunneling spectroscopy study is presented of superconducting MoN and Nbo.8Tio.2N thin films grown by atomic layer deposition (ALD). The films exhibited a superconducting gap of 2meV and 2.4meV, respectively, with a corresponding critical temperature of 11.5K and 13.4 K, among the highest reported Tc values achieved by the ALD technique.Tunnel junctions were obtained using a mechanical contact method with a Au tip. While the native oxides of these films provided poor tunnel barriers, high quality tunnel junctions with low zero bias conductance (below rvl0%) were obtained using an artificial tunnel barrier of Ah03 on the film's surface grown ex situ by ALD. We find a large critical current density on the order of 4 x 106Ncm2 at T =0.8Tc for a 60 run MoN film and demonstrate conformal coating capabilities of ALD onto high aspect ratio geometries. These results suggest that the ALD technique offers significant promise for thin film superconducting device applications.

  13. Tunneling Spectroscopy of Superconducting MoN and NbTiN Grown by Atomic Layer Deposition.

    DOE PAGES

    Groll, Nickolas; Klug, Jeffrey A.; Cao, Chaoyue; ...

    2014-03-03

    A tunneling spectroscopy study is presented of superconducting MoN and Nbo.8Tio.2N thin films grown by atomic layer deposition (ALD). The films exhibited a superconducting gap of 2meV and 2.4meV, respectively, with a corresponding critical temperature of 11.5K and 13.4 K, among the highest reported Tc values achieved by the ALD technique.Tunnel junctions were obtained using a mechanical contact method with a Au tip. While the native oxides of these films provided poor tunnel barriers, high quality tunnel junctions with low zero bias conductance (below rvl0%) were obtained using an artificial tunnel barrier of Ah03 on the film's surface grown exmore » situ by ALD. We find a large critical current density on the order of 4 x 106Ncm2 at T =0.8Tc for a 60 run MoN film and demonstrate conformal coating capabilities of ALD onto high aspect ratio geometries. These results suggest that the ALD technique offers significant promise for thin film superconducting device applications.« less

  14. Comparative Study On The Impact Of TiN And Mo Metal Gates On MOCVD-Grown HfO2 And ZrO2 High-κ Dielectrics For CMOS Technology

    NASA Astrophysics Data System (ADS)

    Abermann, S.; Sjoblom, G.; Efavi, J.; Lemme, M.; Olsson, J.; Bertagnolli, E.

    2007-04-01

    We compare metal oxide semiconductor capacitors, investigating Titanium-Nitride and Molybdenum as gate materials, as well as metal organic chemical vapor deposited ZrO2 and HfO2 as high-κ dielectrics, respectively. The impact of different annealing steps on the electrical characteristics of the various gate stacks is a further issue. The positive effect of post metallization annealing in forming gas atmosphere as well as observed mid-gap pinning of TiN and Mo metal gates is presented.

  15. 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.

  16. Outstanding compressive creep strength in Cr/Ir-codoped (Mo0.85Nb0.15)Si2 crystals with the unique cross-lamellar microstructure.

    PubMed

    Hagihara, Koji; Ikenishi, Takaaki; Araki, Haruka; Nakano, Takayoshi

    2017-06-21

    A (Mo0.85Nb0.15)Si2 crystal with an oriented, lamellar, C40/C11b two-phase microstructure is a promising ultrahigh-temperature (UHT) structural material, but its low room-temperature fracture toughness and low high-temperature strength prevent its practical application. As a possibility to overcome these problems, we first found a development of unique "cross-lamellar microstructure", by the cooping of Cr and Ir. The cross-lamellar microstructure consists of a rod-like C11b-phase grains that extend along a direction perpendicular to the lamellar interface in addition to the C40/C11b fine lamellae. In this study, the effectiveness of the cross-lamellar microstructure for improving the high-temperature creep deformation property, being the most essential for UHT materials, was examined by using the oriented crystals. The creep rate significantly reduced along a loading orientation parallel to the lamellar interface. Furthermore, the degradation in creep strength for other loading orientation that is not parallel to the lamellar interface, which has been a serious problem up to now, was also suppressed. The results demonstrated that the simultaneous improvement of high-temperature creep strength and room temperature fracture toughness can be first accomplished by the development of unique cross-lamellar microstructure, which opens a potential avenue for the development of novel UHT materials as alternatives to existing Ni-based superalloys.

  17. The Influence of the Thermomechanical Processing Regime on the Structural Evolution of Mo-Nb-Ti-V Microalloyed Steel Subjected to High-Pressure Torsion

    NASA Astrophysics Data System (ADS)

    Astafurova, Elena; Maier, Galina; Melnikov, Eugene; Naydenkin, Eugene; Smirnov, Aleksander; Bataev, Vladimir; Odessky, Pavel; Dobatkin, Sergey; Maier, Hans J.

    2017-07-01

    In the present study the effect of the thermal-mechanical processing regime—cold high-pressure torsion (HPT) at room temperature, cold HPT followed by annealing at 773 K (500 °C), and warm HPT at 723 K (450 °C)—on the peculiarities of the microstructure and microhardness of a Mo-Nb-Ti-V-0.08C microalloyed steel was analyzed. HPT processing resulted in high deformation and refinement of the initial structure and produced an ultrafine-grained microstructure featuring different morphologies with fine (<5 nm) and coarse (15 to 20 nm) carbides and with a mean size of the ferrite grain-subgrain structural elements of ≈100 nm. After room-temperature HPT, a mixed grain-subgrain structure with a high microhardness of 608 HV was obtained. Warm HPT caused formation of an ultrafine-grained structure with a microhardness of 553 HV. After annealing of cold HPT-processed specimens at 773 K (500 °C), a partial recovery of the structure occurred, but the average size of the structural elements and their distribution varied only slightly whereas the microhardness increased to 642 HV. The variations in the microhardness with the processing regime were correlated to changes in microstructural parameters (grain size, dislocation density and precipitation strengthening).

  18. Electrical conductivity and impedance spectroscopy studies of cerium based aeschynite type semiconducting oxides: CeTiMO6 (M=Nb or Ta)

    NASA Astrophysics Data System (ADS)

    Sumi, S.; Rao, P. Prabhakar; Deepa, M.; Koshy, Peter

    2010-09-01

    Complex ceramic oxides, CeTiMO6 (M=Nb or Ta) having aeschynite type mineral structure were prepared by the conventional ceramic route. Complex impedance analysis in the frequency range 10 Hz-1 MHz over a wide temperature range (30-600 °C) indicates the presence of grain boundary effect along with the bulk contribution and also confirms the presence of non-Debye type of multiple relaxations in the material. The frequency dependent conductivity plots exhibit double power law dependence suggesting three types of conduction mechanisms: low frequency (10 Hz-1 kHz) conductivity owing to long range translational motion of electrons (frequency independent), mid-frequency conductivity (1-10 kHz) due to short-range hopping, and high frequency (10 kHz-1 MHz) conduction due to localized orientation hopping mechanism. The hopping model can explain the nature of the conduction mechanism completely. The electrical conductivity measurements with temperature suggest the negative temperature coefficient of resistance behavior. The activation energy studies allow insight into the nature of the conduction mechanisms.

  19. Method of Estimating the Long-term Rupture Strength of 11Cr-2W-0.4Mo-1Cu-Nb-V Steel

    NASA Astrophysics Data System (ADS)

    Tamura, Manabu

    2015-05-01

    Long-term rupture data of 11Cr-2W-0.4Mo-1Cu-Nb-V steel were analyzed using an exponential equation for stress regarding time to rupture as a thermal activation process. The fitness was compared with the usually employed method assuming power-law creep. In the exponential method, rupture data are classified into several groups according to the thermal activation process; the activation energy, Q; the activation volume, V; then, the Larson-Miller constant, C, values are calculated, and a regression equation is obtained for each data group. The fitness level of the equation was satisfactorily high for each group. The values of Q, V, and C were unusually small for a data group where an unexpected drop in rupture strength was observed. The critical issue is how to comprehend signs of degradation within the short term. We can observe several signs at a creep time of approximately one-tenth of the times of the degradation events. The small values of Q and V indicate that completely softened regions form and creep locally, which is consistent with previous observations. From both metallurgical considerations and the variations of Q and V, it is suggested that the rate of the unexpected drop in strength is mitigated after further long-term creep.

  20. Improvement of mechanical properties of the Ti-45Al-5Nb-1Mo-0.2B (at %) intermetallic alloy by means of microstructure controlling

    NASA Astrophysics Data System (ADS)

    Nazarova, T. I.; Imaev, V. M.; Imaev, R. M.; Mulyukov, R. R.

    2016-10-01

    The effect of heat and thermomechanical treatments conditions on the microstructure and main mechanical characteristics (obtained by tensile, high-temperature long-term strength, fracture toughness, and high-cycle fatigue tests) of the Ti-45Al-5Nb-1Mo-0.2B (et %) alloy was studied. Before the treatments, the sequence of phase transformations in the alloy after its solidification was determined by testquenching method. The obtained data were used to develop conditions for the heat and thermomechanical treatments. It was found that a small but stable increase in the plasticity and strength of the cast alloy is observed after three-stage annealing at temperatures that correspond to the (α + γ)- and (α2 + β( M2) + γ)-phase region. The thermomechanical treatment at temperatures corresponding to the (α(α2) + β( M2) + γ)-phase region and subsequent two-stage annealing at temperatures that correspond to the (α + β( M2) + γ)- and (α2 + β(M2) + γ)-phase region lead to the formation of fine-grained duplex structure. This determined the substantial improvement of the low-temperature plasticity and strength (δ = 3.1% and σu = 860 MPa at 20°C, respectively) and retained high creep resistance to 700°C.

  1. 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.

  2. Fluorite transition metal hydride induced destabilization of the MgH2 system in MgH2/TMH2 multilayers ( TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf)

    NASA Astrophysics Data System (ADS)

    Tao, S. X.; Notten, P. H. L.; van Santen, R. A.; Jansen, A. P. J.

    2010-09-01

    The structural changes in MgH2 induced by contact with fluorite transition metal hydrides ( TMH2 , TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf) have been studied using density-functional theory calculations. Models of MgH2(rutile)/TiH2(fluorite) and MgH2(fluorite)/TiH2(fluorite) multilayers with different Mg:TM ratios have been designed. With a fixed thickness of the TMH2 layer, structure transformation of MgH2 from rutile to fluorite occurs with a decrease in thickness of the MgH2 layer. The hydrogen desorption energy from the fluorite MgH2 layer in the multilayers is significantly lower than that of the bulk rutile MgH2 . The structural deformation of the MgH2 layer due to the strain induced by TMH2 is found to be responsible for the destabilization of the Mg-H bond: the more structural deformation, the more destabilization of the Mg-H. Our results provide an important insight for the development of new hydrogen-storage materials with desirable thermodynamic properties.

  3. 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.

  4. Comparative Study of Surface Chemical Composition and Oxide Layer Modification upon Oxygen Plasma Cleaning and Piranha Etching on a Novel Low Elastic Modulus Ti25Nb21Hf Alloy

    NASA Astrophysics Data System (ADS)

    Paredes, Virginia; Salvagni, Emiliano; Rodríguez-Castellón, Enrique; Manero, José María

    2017-08-01

    Metals are widely employed for many biological artificial replacements, and it is known that the quality and the physical/chemical properties of the surface are crucial for the success of the implant. Therefore, control over surface implant materials and their elastic moduli may be crucial to avoid undesired effects. In this study, surface modification upon cleaning and activation of a low elastic modulus Ti alloy (Ti25Hf21Nb) was investigated. Two different methods, oxygen plasma (OP) cleaning and piranha (PI) solution, were studied and compared. Both surface treatments were effective for organic contaminant removal and to increase the Ti-oxide layer thickness rather than other metal-oxides present at the surface, which is beneficial for biocompatibility of the material. Furthermore, both techniques drastically increased hydrophilicity and introduced oxidation and hydroxylation (OH)-functional groups at the surface that may be beneficial for further chemical modifications. However, these treatments did not alter the surface roughness and bulk material properties. The surfaces were fully characterized in terms of surface roughness, wettability, oxide layer composition, and hydroxyl surface density through analytical techniques (interferometry, X-ray photoelectron spectroscopy (XPS), contact angle, and zinc complexation). These findings provide essential information when planning surface modifications for cleanliness, oxide layer thickness, and surface hydroxyl density, as control over these factors is essential for many applications, especially in biomaterials.

  5. 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

  6. Thermal stability of magnetic properties of nanocrystalline (Fe0.7Co0.3)88Hf4Mo2Zr1B4Cu1 alloy with induced magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Dmitrieva, N. V.; Lukshina, V. A.; Filippov, B. N.; Potapov, A. P.

    2016-10-01

    The effect of nanocrystallizing annealing in the presence of an ac magnetic field (magnetic heat treatment) and tensile stresses (thermomechanical treatment), as well as in the presence of both tensile stresses and an ac magnetic field (complex thermomechanical magnetic treatment) on the magnetic properties of the nanocrystalline (Fe0.7Co0.3)88Hf4Mo2Zr1B4Cu1 alloy and their thermal stability has been studied. It has been found that the nanocrystallization of the studied (Fe0.7Co0.3)88Hf4Mo2Zr1B4Cu1 alloy in the course of magnetic heat treatment, thermomechanical treatment, and thermomechanical magnetic treatment at low tensile stresses (6-30 MPa) leads to about a threefold decrease in the coercive force, but does not ensure the thermal stability of magnetic properties at high temperatures. In nanocrystallization, in the course of thermomechanical treatment at 620°C for 20 min under tensile stresses σ = 250 MPa has been found to be optimum for the high-temperature application (up to 550°C) of the studied alloy.

  7. 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.

  8. Role of grain size in the regulation of osteoblast response to Ti-25Nb-3Mo-3Zr-2Sn alloy.

    PubMed

    Huang, Run; Lu, Shemin; Han, Yong

    2013-11-01

    Nano- and ultrafine-grained β-Ti layers were fabricated on Ti-25Nb-3Mo-3Zr-2Sn alloy by surface mechanical attrition treatment (SMAT). After being ground and polished, the two layers exhibited the same chemical composition, similar surface roughness and topography features to the coarse-grained surface, however, higher hardness values were exhibited on the ultrafine- and nano-grained surfaces, especially on nano-grained surface compared to coarse-grained surface. Hydrophilicity test, evaluated by measuring water contact angles, showed that the nano-grained surface was much more hydrophilic than the ultrafine- and coarse-grained surfaces. The adsorption of total protein and anchoring proteins such as vitronectin and fibronectin on the different surfaces from DMEM medium containing 10% fetal bovine serum was also examined. Employing hFOB1.19 cells, the behaviors of osteoblasts on the three kinds of grain-scaled surfaces, including adhesion, proliferation and differentiation, were evaluated by examining the morphology, the number of adherent cells, actin cytoskeleton reorganization, vinculin signals, expressions of steogenesis-related genes, alkaline phosphatase activity, contents of intracellular specific proteins and collagen type I, extracellular collagen secretion as well as matrix mineralization. The significant enhancements of osteoblast adhesion, proliferation, maturation and mineralization are exhibited on the nano-grained surface, while little improvements are found on the ultrafine-grained surface compared to the conventional coarse-grained surface. The differences in the cellular response to the three kinds of grain-scaled surfaces are related to grain size and degree of hydrophilicity. The improved cell functions together with mechanical properties make SMAT-processed nanograined β-Ti a promising biomaterial for surgical implants.

  9. A comparison of the fatigue behavior of cast Ti-7.5Mo with c.p. titanium, Ti-6Al-4V and Ti-13Nb-13Zr alloys.

    PubMed

    Lin, Chia-Wei; Ju, Chien-Ping; Chern Lin, Jiin-Huey

    2005-06-01

    The purpose of the present study is to compare the high-cycle fatigue behavior of newly developed Ti-7.5Mo alloy with that of c.p. Ti, Ti-13Nb-13Zr and Ti-6Al-4V alloys in their as-cast state. Experimental results indicate that Ti-6Al-4V and c.p. Ti have higher stress-controlled fatigue resistance but lower strain-controlled fatigue resistance than Ti-7.5Mo and Ti-13Nb-13Zr. Among four materials Ti-7.5Mo demonstrates the best strain-controlled fatigue performance. The fracture surfaces of the present materials are comprised of three morphologically distinct zones: crack initiation zone, crack propagation zone, and the final-stage overload zone. The fatigue cracks almost always initiate from casting-induced surface/subsurface pores. A river pattern is observed in the propagation zone. In the overload zone dimples are typically observed. Three factors most significantly affecting the fatigue performance of the present materials are the presence of the casting-induced surface/subsurface pores; the location of the pores; and the inherent mechanical properties of the materials.

  10. The water adsorption on the surfaces of SrMO3 (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

    NASA Astrophysics Data System (ADS)

    Evarestov, R. A.; Bandura, A. V.; Blokhin, E. N.

    2007-12-01

    Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO3, SrZrO3, and SrHfO3 perovskites are performed in a single-slab model framework. The optimized atomic structures and water adsorption energies have been calculated for a single water molecule per the surface unit cell. The possibility of the water molecular dissociation was investigated. Basing on the experimental data and results of the ab initio calculations the new interatomic potentials have been developed to describe the bulk and surface properties of the binary and ternary titanium and zirconium oxides. The proposed force-field takes into account the polarization effects via the shell model. The force-field suggested was used in the molecular mechanics calculations with the extended unit cells to study the possible surface reconstruction upon relaxation and hydroxylation of cubic perovskites.

  11. 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.

  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. 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.

  15. 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.

  16. Oxidation Behavior of a Refractory NbCrMo0.5Ta0.5TiZr Alloy (Preprint)

    DTIC Science & Technology

    2012-03-01

    contact with gaseous oxygen, and diffusion through the oxide layer becomes the rate-controlling process for the oxidation reaction. In this case, the...public release ; distribution unlimited 12 close to n = 0.5 indicating diffusion controlling formation of a protective oxide layer. Indeed, naked eye... diffusivity in the Nb matrix and protective Approved for public release ; distribution unlimited 14 coatings are absolutely necessary for these alloys

  17. Analysis of M···H-Si interactions in [{M(CpSiMe2H)Cl3}2], (M = Zr, Hf, Ti and Mo) complexes.

    PubMed

    Lein, Matthias; Harrison, John A; Nielson, Alastair J

    2011-10-28

    For the d(0) complex [{Zr(CpSiMe(2)H)Cl(3)}(2)] which contains a linear Si-H···Zr interaction across the dimer, DFT calculations are in good agreement with X-ray structures. The BP86 functional shows a slightly stronger interaction than B3LYP but for qualitative purposes either functional is sufficient. QTAIM analysis shows a bond critical point (bcp) for the interaction, a small negative value for the total energy density [H((r))] and the H atomic basin decreases in energy, E(H), and atomic volume compared to the free ligand. NBO analysis showed E(2) for Si-H σ to Zr(dz(2)) donation at 42.8 kcal mol(-1) and a 34% spatial overlap for the interaction consistent with an inverse hydrogen bond. The Wiberg bond index for the interaction is 0.1735 (0.7205 for the Si-H bond), ν((Si-H)) and (1)J((Si-H)) at 2060 cm(-1) and 145.4 Hz compared to 2183 cm(-1) and 172.1 Hz in the free ligand. Using a "synthesis by computation" approach to forming like complexes, similar features were found for [{Hf(CpSiMe(2)H)Cl(3)}(2)]. The titanium complex [{Ti(CpSiMe(2)H)Cl(3)}(2)] does not contain any Si-H···Ti interaction as rotation about the C-Si bond of the ligand occurs to place the Si-H bond hydrogen closer to a terminal chloro ligand across the dimer. An increase in electron density on the metal in the d(2) complex [{Mo(CpSiMe(2)H)Cl(3)}(2)] results in a stronger interaction with a distinct QTAIM analysis bcp [ρ((r)) 0.0448 a.u.], a small negative value for H((r)) and a much reduced H atomic volume. NBO analysis shows E(2) for Si-H σ to Mo(dz(2)) donation at 143.1 kcal mol(-1) and a 29% spatial overlap. Mo(dz(2)) to Si-H σ* donation (back donation) is minimal [E(2) 1.3 kcal mol(-1), ~1% spatial overlap]. The Wiberg bond index is 0.3114 (0.5667 for the Si-H bond), ν((Si-H)) 2015 cm(-1) and (1)J((Si-H)) 120.6 Hz.

  18. 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.

  19. 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.

  20. Effect of microstructural parameters on the mechanical behavior of TiAlNb(Cr,Mo) alloys with γ+σ microstructure at ambient temperature

    DOE PAGES

    Kesler, Michael S.; Goyel, Sonalika; Ebrahimi, Fereshteh; ...

    2016-11-15

    The mechanical properties of novel alloys with two-phase γ-TiAl + σ-Nb2Al microstructures were evaluated under compression at room temperature. Microstructures of varying scales were developed through solutionizing and aging heat treatments and the volume fraction of phases were varied with changes in composition. Ultra-fine, aged γ+σ microstructures were achieved for the alloys which affectively retained high volume fractions of the parent β-phase upon quenching from the solutionizing temperature. The yield strength and compressive strain to failure of these alloys show a strong dependence on the relative scale and volume fraction of phases. Surprisingly, the hard brittle σ-phase particles were notmore » found to control fracture in the refined microstructures.« less

  1. Effect of microstructural parameters on the mechanical behavior of TiAlNb(Cr,Mo) alloys with γ+σ microstructure at ambient temperature

    SciTech Connect

    Kesler, Michael S.; Goyel, Sonalika; Ebrahimi, Fereshteh; Manuel, Michele V.

    2016-11-15

    The mechanical properties of novel alloys with two-phase γ-TiAl + σ-Nb2Al microstructures were evaluated under compression at room temperature. Microstructures of varying scales were developed through solutionizing and aging heat treatments and the volume fraction of phases were varied with changes in composition. Ultra-fine, aged γ+σ microstructures were achieved for the alloys which affectively retained high volume fractions of the parent β-phase upon quenching from the solutionizing temperature. The yield strength and compressive strain to failure of these alloys show a strong dependence on the relative scale and volume fraction of phases. Surprisingly, the hard brittle σ-phase particles were not found to control fracture in the refined microstructures.

  2. Crystal structure of Ba2(La0.727Ba0.182M0.091)MO6 (M = Nb, Sb, Bi): symmetry nuance identified in photoluminescence and IR spectroscopy studies.

    PubMed

    Phatak, Rohan; Gupta, Santosh K; Maheshwari, Priya; Das, Amitabh; Sali, Sanjay K

    2017-01-31

    A one-third lanthanum deficiency was created in Ba2LaM(5+)O6 compounds (LaM compounds) to form Ba2La2/3M(5+)O5.5 compounds (La2/3M compounds) for M = Nb, Sb, and Bi. The compounds were prepared by a gel-combustion method using citric acid as a fuel. All the compounds were characterized by powder X-ray diffraction (XRD). The XRD analysis showed that the space group of the La2/3M compounds remains the same for the Bi and Sb samples when compared to the reported LaM compounds, except for the Nb sample. La2/3Nb and La2/3Sb adopt a rhombohedral structure with the space group R3[combining macron], whereas La2/3Bi adopts a monoclinic structure with the space group I2/m. As the positron annihilation spectroscopy (PALS) technique is sensitive to cation deficiency, it was used to detect the presence of cation vacancies in the samples, which are formed due to the decrease in the lanthanum concentration. The PALS analyses indicated that the absence of cation deficiency in the La2/3M compounds is similar to that observed in the LaM compound. Thus, the crystal structure of the La2/3M compound was modeled, such that the cation deficiency at the La site is filled by Ba(2+) and M(5+) ions, and the crystal structure formula is given as Ba2(La0.727Ba0.182M0.091)MO6. This model was confirmed by Rietveld refinement of the XRD data. The emission spectra of Eu(3+) showed a strong dependence on its local site symmetry in the host material, in which it is being doped and this can be used as a spectroscopic probe for detecting any differences in the symmetry. Comparison of the local symmetry around La(3+) cation was studied using photoluminescence (PL) by doping 2 atom% Eu(3+) in LaM and La2/3M compounds. Infrared spectroscopy (IRS) analyses were also carried out for LaM and La2/3M compounds. There was complete agreement between the PL and IRS results and they were also in concordance with the predicted crystal structure model. Interestingly in these La2/3M compounds, the equilibrium

  3. 12. Hard HF transmitter antenna, view toward west. Lyon ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. Hard HF transmitter antenna, view toward west. Lyon - Whiteman Air Force Base, Oscar O-1 Minuteman Missile Alert Facility, Southeast corner of Twelfth & Vendenberg Avenues, Knob Noster, Johnson County, MO

  4. 11. Hard HF receiver antenna, view towards east. Lyon ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. Hard HF receiver antenna, view towards east. Lyon - Whiteman Air Force Base, Oscar O-1 Minuteman Missile Alert Facility, Southeast corner of Twelfth & Vendenberg Avenues, Knob Noster, Johnson County, MO

  5. Effect of ion irradiation on the nanocrystallization and magnetic properties of soft magnetic Fe72.5Cu1Nb2Mo1.5Si14B9 alloy

    NASA Astrophysics Data System (ADS)

    Ovchinnikov, V. V.; Makhin'ko, F. F.; Gushchina, N. V.; Stepanov, A. V.; Medvedev, A. I.; Starodubtsev, Yu. N.; Kataev, V. A.; Tsepelev, V. S.; Belozerov, V. Ya.

    2017-02-01

    The effect of accelerated Ar+ ions on the crystallization process and magnetic properties of nanocrystalline Fe72.5Cu1Nb2Mo1.5Si14B9 alloy has been studied using X-ray diffraction analysis, transmission electron microscopy, thermomagnetic analysis, and other magnetic methods. Irradiation by Ar+ ions with an energy of 30 keV and a fluence of 3.75 × 1015 cm-2 at short-term heating to a temperature of 620 K (which is 150 K below the thermal threshold of crystallization) leads to the complete crystallization of amorphous alloy, which is accompanied by the precipitation of the α-Fe(Si) solid solution crystals (close in composition to Fe80Si20), Fe3Si stable phase, and metastable hexagonal phases. The crystallization caused by irradiation leads to an increase in the grain size and changes the morphology of grain boundaries and volume fraction of crystalline phases, which is accompanied by changes in the magnetic properties.

  6. On the occurrence of dynamic strain aging in near-alpha alloy Ti-5.8Al-4Sn-3.5Zr-0.7Nb-0.5Mo-0.35Si

    SciTech Connect

    Singh, N.; Prasad, N.; Singh, V.

    1999-09-01

    Alloy Ti-5.8Al-4Sn-3.5Zr-0.7Nb-0.5Mo-0.35Si (IMI 834) is the most recently developed near-alpha type titanium alloy for high-temperature application up to 873 K, as discs and blades in the high pressure part of compressors, in advanced jet engines. It possesses a good combination of creep and fatigue resistance at elevated temperature, in properly heat-treated condition, and has a fine bimodal microstructure, consisting of a small volume fraction of equiaxed alpha in a fine-grained matrix of transformed beta. Some investigations have already been done on the tensile behavior of this alloy, in different heat-treated conditions, over a wide range of temperature from 293 to 923 K. However, no report has been made on the occurrence of dynamic strain aging (DSA) in this alloy. The purpose of this article is to present the observation on the occurrence of DSA in the titanium alloy IMI 834, in the as-received (hot-rolled and mill-annealed) condition, over the temperature range 623 to 823 K.

  7. Iron-rich low-cost superalloys. [Cr(15)-Mn(15)-Mo(2)-C(1. 5)-Si(1. 0)-Nb(1. 0)-Fe(bal. ) and Cr(20)-Mn(10)-C(3. 4)-Fe(bal. )

    SciTech Connect

    Wayne, S.F.

    1985-01-01

    An iron-rich low-cost superalloy has been developed in conjunction with United Technologies Research Center under the NASA program, Conservation of Strategic Aerospace Materials. The alloy, when processed by conventional chill casting, has physical and mechanical properties that compare favorably with existing nickel - and cobalt-based superalloys while containing significantly lower amounts of strategic elements. The composition of the alloy is Cr(15)-Mn(15)-Mo(2)-C(1.5)-Si(1.0)-Nb(1.0)-Fe(bal.), and it can be produced with chromite ore deposits located within the United States. Studies were also made on the properties of Cr(20)-Mn(10)-C(3.4)-Fe(bal.), a eutectic alloy processed by chill casting and directional solidification (D.S.) which produced an aligned microstructure consisting of M/sub 7/C/sub 3/ fibers in an ..gamma..-Fe matrix. This good alignment vanishes when molybdenum or aluminum is added in higher concentrations. Thermal expansion of the M/sub 7/C/sub 3/ (M = Fe, Cr, Mn) carbide lattice was measured up to 800/sup 0/C and found to be highly anisotropic, with the a-axis being the predominant mode of expansion. Repetitive impact-sliding wear experiments performed with the Fe-rich eutectic alloy showed that the directionally solidified microstructure greatly improved the alloy's wear resistance as compared to the chill-cast microstructure and conventional nickel-base superalloys.

  8. Creep-rupture behavior of a developmental cast-iron-base alloy for use up to 800/sup 0/C. [NASAUT 4G-Al: Fe-15Mn-15Cr-2Mo-1. 5C-1Nb-1Si

    SciTech Connect

    Titran, R.H.; Scheuermann, C.M.

    1987-08-01

    As part of the DOE/NASA Stirling Engine Systems Project, an iron-base cast alloy was developed, designated NASAUT 4G-Al. Its nominal composition, in percent by weight, is Fe-15Mn-15Cr-2Mo-1.5C-1Nb-1Si. This report presents the results of a study of this alloy, 4G-Al, performed to determine its creep-rupture properties. The alloy was studied in the directionally solidified (DS) form with a 650/sup 0/C/100 h anneal recommended by UTRC to optimize properties and in the investment-cast (IC) form with either a 760/sup 0/C/20 h anneal recommended by UTRC to optimize properties, or a solution anneal of 790/sup 0/C/20 h followed by a simulated brazing cycle of 1065/sup 0/C/15 min + a heat treatment of 760/sup 0/C/16 h + 650/sup 0/C/16 h. Alloy 4G-Al exhibited typical 3-stage creep response under all conditions tested. The most creep resistant condition was the DS material. This condition compares very favorably to the prototype (HS-31) and prime candidate (XF-818) alloys for the automotive Stirling engine cylinder/regenerator housing. 14 refs., 7 figs., 6 tabs.

  9. Structural Stability of the Metastable β-[(Mo0.5Sn0.5)-(Ti13Zr1)]Nb1 Alloy with Low Young's Modulus at Different States

    NASA Astrophysics Data System (ADS)

    Jiang, Beibei; Wang, Qing; Li, Xiaona; Dong, Chuang; Xu, Fen; He, Huan; Sun, Lixian

    2017-08-01

    β-Ti alloys with low Young's modulus are always formed at the lower critical limit of β stabilization, where the β structure is prone to be destabilized. This present work aims at studying the structural stability of β-Ti alloy [(Mo0.5Sn0.5)-(Ti13Zr1)]Nb1 with low Young's modulus ( E) at different states of suction-cast (SC) and solution-treated (ST), and the deformation mechanisms of this alloy are also discussed. The solution treatment eliminates the composition heterogeneity of the SC alloy, and no second phases are precipitated from the β matrix, as a result of a further decrease of E from 48 GPa (SC) to 43 GPa (ST). After tension deformation, the stress-induced {112} < 111\\rangle β twinning is dominant in the SC alloy, while the stress-induced phase transformation of β → α″ plays a decisive role in the ST alloy, which results from the different structural stabilities of β matrix at different states. The minor second-phase precipitation renders the matrix with a slightly higher β stability of the SC alloy than that of the ST one.

  10. A redox-stable direct-methane solid oxide fuel cell (SOFC) with Sr2FeNb0.2Mo0.8O6-δ double perovskite as anode material

    NASA Astrophysics Data System (ADS)

    Ding, Hanping; Tao, Zetian; Liu, Shun; Yang, Yating

    2016-09-01

    Development of high-performing and redox-stable ceramic oxide electrode materials is a crucial technical step for direct hydrocarbon solid oxide fuel cells (SOFCs) operating at intermediate temperatures (550-700 °C). Here we report a nickel-free double perovskite, Sr2FeNb0.2Mo0.8O6-δ (SFNM20), for SOFC anode, and this anode shows outstanding performances with high resistance against carbon build-up and redox cycling in hydrocarbon fuels. At 800 °C, the SFNM20 anode shows electrical conductivity of 5.3 S cm-1 in 5% H2 and peak power densities of 520 and 380 mW cm-2 using H2 and CH4 as the fuel, respectively. The cell exhibits a very stable performance under different constant current loads in H2 and CH4 at 700 °C and high redox stability against the gas environment changes in the anode chamber. In addition, the electrode is structurally stable in various fuels, suggesting that it is a feasible material candidate for the electrode of high-performing SOFCs.

  11. Hf-W Chronology of CR Chondrites

    NASA Astrophysics Data System (ADS)

    Budde, G.; Kruijer, T. S.; Kleine, T.

    2017-02-01

    Hf-W systematics of CR chondrites define an age of 3.7 Ma after CAIs for CR chondrule formation. CR metal and silicates have complementary nucleosynthetic W and Mo isotope anomalies due to the uneven distribution of a presolar s-process carrier.

  12. Microstructural effects on the deformation and fracture of the alloy Ti-25Al-10Nb-3B-1Mo. Final report, 1 July 1988-15 December 1992

    SciTech Connect

    Ward, C.H.

    1992-12-01

    The effects of microstructure and temperature on tensile and fracture behavior were explored for the titanium aluminide alloy Ti-25Al-lONb-3V-lMo (atomic percent). Three microstructures were selected for this study in an attempt to determine the role of the individual microstructural constituents. the three microstructures studied were an alpha-2 + beta processed microstructure with a fine Widmanstaetten microstructure, a beta processed microstructure with a fine Widmanstaetten microstructure, and a beta processed microstructure with a coarse Widmanstaetten microstructure. Tensile testing of both round and flat specimens was conducted in vacuum at elevated temperature and in air at room and elevated temperatures. Extensive fractography and specimen sectioning were used to study tensile deformation and the effects of environment on this alloy. Room temperature fracture toughness testing using compact tension specimens was conducted. Elevated temperature toughness testing was performed using J-bend bar specimens in an air environment. Again, extensive fractography and specimen sectioning were used to study the elevated temperature toughening mechanisms of this alloy.... Titanium, Titanium aluminide, Intermetallic, Fracture toughness, Tensile behavior, Fractography environmental interaction.

  13. 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.

  14. Effect of heat input on microstructure and properties of hybrid fiber laser-arc weld joints of the 800 MPa hot-rolled Nb-Ti-Mo microalloyed steels

    NASA Astrophysics Data System (ADS)

    Wang, X.-N.; Zhang, S.-H.; Zhou, J.; Zhang, M.; Chen, C.-J.; Misra, R. D. K.

    2017-04-01

    Hybrid fiber laser-arc welding (HLAW) process was applied to a novel hot-rolled Nb-Ti-Mo microalloyed steels of 8 mm thickness. The steel is primarily used to manufacture automotive and construction machinery components, etc. To elucidate the effect of heat input on geometry, microstructure and mechanical properties, different heat inputs (3.90, 5.20 and 7.75 kJ/cm) were used by changing the welding speeds. With increased heat input, the depth/width of penetration was decreased, and the geometry of fusion zone (FZ) changed to "wine cup-like" shape. In regard to the microstructural constituents, the martensite content was decreased, but granular bainite (GB) content was increased. The main microstructural difference was in the FZ cross-section at 7.75 kJ/cm because of the effect of thermal source on the top and bottom. The microstructure of the top part consisted of GB, grain boundary ferrite, and acicular ferrite, while the bottom part was primarily lath martensite. The hardness distribution was similar for different heat inputs. Hardness in FZ, coarse-grained HAZ and mixed-grained HAZ was higher than the base metal (BM), but for the fine-grained HAZ was similar or marginally less than the base metal (BM). Tensile strain was concentrated in the BM such that the fracture occurred in this region. In summary, the geometry, microstructure, and mechanical properties of weld joints were superior at heat input of 5.20 kJ/cm.

  15. New (1 - x)K0.45Na0.55Nb0.96Sb0.04O3-xBi0.5Na0.5HfO3 lead-free ceramics: Phase boundary and their electrical properties

    NASA Astrophysics Data System (ADS)

    Tao, Hong; Wu, Jiagang; Zheng, Ting; Wang, Xiangjian; Lou, Xiaojie

    2015-07-01

    Here, we reported a high unipolar strain and large piezoelectricity in new (1 - x)K0.45Na0.55Nb0.96Sb0.04O3-xBi0.5Na0.5HfO3 ceramics. The rhombohedral-tetragonal (R-T) phase boundary was constructed in the ceramics with 0.03 < x ≤ 0.05, which shows a large d33 value of ˜419 pC/N. More importantly, a high unipolar strain of ˜0.31% was observed due to the multiphase coexistence. In addition, the piezoelectricity of the ceramics could be effectively enhanced if their compositions are located at the phase boundaries region, where a very low electric field of ˜1.2 kV/mm can readily rotate the R/T domains. We also noticed that the deviation from phase boundary induced by applying an external electric field results in the deterioration of piezoelectricity after the "second-poling" method. We believe that as a potassium-sodium-niobate based material, the ceramics developed in this work may find practical applications in lead-free piezoelectric devices such as actuators and fuel injectors in the future owing to the significant enhancement in their piezoelectricity as well as strain.

  16. Extension of the La{sub 7}Mo{sub 7}O{sub 30} structural type with La{sub 7}Nb{sub 3}W{sub 4}O{sub 30} and La{sub 7}Ta{sub 3}W{sub 4}O{sub 30} compounds

    SciTech Connect

    Goutenoire, F. . E-mail: goutenoire.francois@univ-lemans.fr; Kodjikian, S.; Suard, E.

    2005-09-15

    Two compounds of formula La{sub 7}A{sub 3}W{sub 4}O{sub 30} (with A=Nb and Ta) were prepared by solid-state reaction at 1450 and 1490{sup o}C. They crystallize in the rhombohedric space group R-3 (No. 148), with the hexagonal parameters: a=17.0640(2)A, c=6.8859(1)A and a=17.0701(2)A, c=6.8851(1)A. The structure of the materials was analyzed from X-ray, neutron and electronic diffraction. These oxides are isostructural of the reduced molybdenum compound La{sub 7}Mo{sub 7}O{sub 30}, which are formed of perovskite rod along [111]. An order between (Nb, Ta) and W is observed.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. A Study of NbCr and NbCr^{-} by Anion Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Baudhuin, Melissa A.; Boopalachandran, Praveenkumar; Rajan, Srijay S.; Leopold, Doreen G.

    2013-06-01

    We report the 488 nm photoelectron spectrum of the NbCr^{-} anion. For the ^{2}Δ ground state of neutral NbCr, the short bond length (1.894 Å) and high bond energy (D_0 3.0263(6) eV) measured by R2PI spectroscopy indicate high order multiple bonding. We find that the NbCr^{-} anion has a ^{1}Σ^{+} ground state, in which the "extra" electron occupies the (4d)δ bonding orbital, giving a 1σ^{2}1π^{4}1δ^{4}2σ^{2} valence electron configuration and a formal bond order of 6. Low-lying excited states of NbCr (assigned as two ^{2}Σ^{+} states) and NbCr^{-} (^{3}Δ) are also observed. The spectra provide the electron affinity of NbCr, energies of the ^{2}Σ^{+} and the ^{3}Δ excited states, vibrational frequencies for the NbCr and NbCr^{-} ground states and for the ^{2}Σ^{+} excited states, and (from Franck-Condon analyses) differences among the bond lengths of the observed states. These results are compared with our previous data for the Group 5/6 congeners NbMo, VCr, and VMo, and with DFT predictions. We also report results for ongoing experiments on the flow tube reactions of the Group V metals Nb and Ta with butadiene, and the vibrationally-resolved photoelectron spectra of some of the organometallic reaction product anions. S. M. Sickafoose, J. D. Langenberg, and M. D. Morse, J. Phys. Chem. A. 104, 3521-3527 (2000).

  3. Materials performance in HF-alkylation units

    SciTech Connect

    Forsen, O.; Aromaa, J.; Somervuori, M.; Tavi, M.

    1995-11-01

    Materials selection in HF-alkylation units is mostly based on long time experience. The most widely used material in the Station units is standard carbon steel, because it is capable to form a thick protective FeF{sub 2} layer in concentrated or anhydrous hydrofluoric acid. The corrosion resistance decreases, when the acid is dilute (less than 64% HF) or the temperature is above 160F (70 C). The composition and metallurgical state are also suspected to affect the corrosion resistance of carbon steel. The effect of composition appears more complicated than believed, especially the A-106 specification on the total amount of Cr+Ni+Cu+Mo+V < 1% should be studied more closely from the corrosion point of view. Laboratory tests showed that the uniform corrosion rate may be 100 times higher in galvanic contact of two dissimilar steels. The effect of galvanic contacts can neither be excluded in the process equipment corrosion cases.

  4. Oxidation Resistance of Alloys from Nb-Si-Cr System for High Temperature Applications

    DTIC Science & Technology

    2013-01-02

    of Nb-20Mo-15Si-5B-20Cr up to 1,300°C" Julieta Ventura and S.K. Varma Journal of Metals Vol.61, 72-75, 2009 2. "Oxidation Resistant NbCr2 Phase in...Nb-W-Cr System" Julieta Ventura, Benedict Portillo, and S.K. Varma Journal of Alloys and Compounds Vol.476, 257-262, 2009 (doi:10.1016/j.jallcom...2008.09.164) 3. "Oxidation Behavior of Nb-20Mo-15Si-5B-20Cr and Nb-20Mo-15Si-5B-20Ti Alloys Up To 1300°C" Julieta A. Ventura, Benedict 1. Portillo

  5. 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%.

  6. Modern HF Communications.

    DTIC Science & Technology

    1983-05-01

    AD-A131 163 MODERN HF COUNICATIONS(U) ADVISORY GROUP FOR AEROSPACE RESEARCH AND DEVELOPMENT NEUILLY-SUR-SEINE (FRANCE) d AARONS ET AL. MAY 83 AGARD...NORTH ATLANTIC TREATY ORGANIZATION ADVISORY GROUP FOR AEROSPACE RESEARCH AND DEVELOPMENT (ORGANISATION DU TRAITE DE L’ATLANTIQUE NORD) AGARD Lecture...other NATO bodies and to member nation-, in connection with research aind development problems in the aerospace field: Plros iding assistance to

  7. Discovery of a Novel Sn(II)‐Based Oxide β‐SnMoO4 for Daylight‐Driven Photocatalysis

    PubMed Central

    Katayama, Shota; Komura, Takahiro; Hinuma, Yoyo; Yokoyama, Tomoyasu; Mibu, Ko; Oba, Fumiyasu

    2016-01-01

    Daylight‐driven photocatalysts have attracted much attention in the context of “green” technology. Although various active materials have been reported and their applications are rapidly increasing, many are discovered after enormous experimental efforts. Herein the discovery of a novel oxide photocatalyst, β‐SnMoO4, is demonstrated via a rational search of 3483 known and hypothetical compounds with various compositions and structures over the whole range of SnO‐MOq /2 (M: Ti, Zr, and Hf (q = 4); V, Nb, and Ta (q = 5); Cr, Mo, and W (q = 6)) pseudobinary systems. Screening using thermodynamic stability, band gap, and band‐edge positions by density functional theory calculations identifies β‐SnMoO4 as a potential target. Then a low temperature route is used to successfully synthesize the novel crystal, which is confirmed by X‐ray powder diffraction and Mössbauer spectroscopy. β‐SnMoO4 is active for the photocatalytic decomposition of a methylene blue solution under daylight and its activity is comparable to a known photocatalyst, β‐SnWO4. PMID:28105400

  8. 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.

  9. Serpentinization Changes Nd, but not Hf Isotopes of Abyssal Peridotites

    NASA Astrophysics Data System (ADS)

    Bizimis, M.; Frisby, C. P.; Mallick, S.

    2015-12-01

    Serpentinization of the oceanic lithosphere is a known sink for fluid mobile elements (B, Cl, Li, Sr, etc.), while high field strength elements (HFSE: e.g., Hf, Zr, Ti, Nb) are thought to be unaffected by it. In contrast, the fate of REE during serpentinization is equivocal. Correlations between REE and HFSE concentrations in abyssal peridotites suggest control by magmatic processes (Niu, 2004, J. Pet), while some LREE enrichments in serpentinized peridotites compared to their clinopyroxene (cpx) and Nd, Sr isotope data (Delacour et al., 2008, Chem. Geol.) imply seawater-derived REE addition to the mantle protolith (Paulick et al., 2006, Chem. Geol). To further constrain peridotite-seawater interaction during serpentinization we compare bulk rock and cpx Hf and Nd isotope data in partially (up to ~70%) serpentinized abyssal peridotites (9-16°E South West Indian Ridge). We also present a new method that improves yields in Hf, Nd and Pb separations from depleted (<0.03 ppm Hf) ultramafic rocks, which includes coprecipitation of metals with Al-Fe hydroxides and ether-HCl liquid-liquid exchange for Fe removal. Nd isotopes in the bulk peridotite are up to 7ɛNd units less radiogenic than their cpx (i.e., the magmatic value) while Hf isotopes remain equal to cpx within 1 ɛHf. Melt-rock reaction by the local lavas cannot generate this decoupling. The largest Nd isotopic difference between cpx and bulk is seen in the most LREE-depleted samples, while refertilized samples show little change. Leaching experiments show that 30-60% of REE are mobilized from the rock, but >90% of Hf, Zr, Ti are retained in the residue. LA-ICPMS data shows that serpentine after olivine typically has higher LREE/HREE ratios than cpx, pronounced negative Ce anomalies, high U, Sr concentrations and low HFSE, unlike the coexisting cpx. These data are consistent with some seawater-derived LREE addition to peridotite during serpentinization, localized in the serpentine and other secondary phases

  10. Characteristics of a multicomponent Nb-Ti-Al alloy via industrial-scale practice

    SciTech Connect

    Sikka, V.K.; Loria, E.A.

    1997-05-01

    Within the spectrum of advanced intermetallic materials, an alloy containing 44Nb-35Ti-6Al-5Cr-8V-1W-0.5Mo-0.3Hf (at. %) was investigated in the industrial-scale produced condition. The alloy was tensile tested in air from room temperature to 1,000 C and in vacuum at 750 and 850 C. Results of this study have shown that the alloy can be commercially produced and has adequate ductility for its secondary processing even at an oxygen level of 1,160 wppm. The alloy has room temperature ductility of 16% and superplastic elongation of 244% at 1,000 C. This alloy shows low intermediate temperature (600--850 C) ductility when tested in air. The vacuum testing revealed that the low ductility is associated within oxygen embrittlement phenomenon. It is expected that such an embrittlement can be taken care of by an oxidation resistant coating. The alloy also possesses superior strength to similar alloys in this class. Results of this investigation suggest a strong potential for consideration of this alloy to exceed the useful temperature range of nickel-base superalloys.

  11. Pulsed inductive HF laser

    SciTech Connect

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

    2016-03-31

    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 H{sub 2} – F{sub 2}(NF{sub 3} or SF6{sub 6}) and He(Ne) – H{sub 2} – F{sub 2}(NF{sub 3} or SF{sub 6}) 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%. (lasers)

  12. 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.

  13. Precipitation Kinetics in a Nb-stabilized Ferritic Stainless Steel

    NASA Astrophysics Data System (ADS)

    Labonne, M.; Graux, A.; Cazottes, S.; Danoix, F.; Cuvilly, F.; Chassagne, F.; Perez, M.; Massardier, V.

    2017-08-01

    The precipitation occurring in a Nb-stabilized ferritic stainless steel, containing initially Nb(C, N) carbonitrides and Fe3Nb3X precipitates, was investigated during aging treatments performed between 923 K and 1163 K (650 °C and 890 °C) by combining different techniques, (thermoelectric power (TEP), scanning/transmission electron microscopy (SEM/TEM), and atom probe tomography (APT)), in order to determine the precipitation kinetics, the nature and morphology of the newly formed precipitates as well as the chemistry of the initial Fe3Nb3X precipitates, where X stands for C or N. The following composition was proposed for these precipitates: (Fe0.81 Cr0.19)3 (Nb0.85 Si0.08 Mo0.07)3 (N0.8 C0.2), highlighting the simultaneous presence of N and C in the precipitates. With regard to the precipitation in the investigated temperature range, two main phenomena, associated with a hardness decrease, were clearly identified: (i) the precipitation of Fe2Nb precipitates from the niobium initially present in solution or coming from the progressive dissolution of the Fe3Nb3X precipitates and (ii) the precipitation of the χ-phase at grain boundaries for longer aging times. From the TEP kinetics, a time-temperature-precipitation diagram has been proposed.

  14. [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.

  15. 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

  16. Oxidation of several corrosion-resistant metals in HF-DMF

    SciTech Connect

    Chulkevich, A.K.; Smolina, E.V.; Lavrent'ev, I.P.; Khidekel', M.L.

    1987-02-20

    The oxidative dissolution of transition metals in organic and aqueous organic media yields a broad range of complexes. In work, data are given on the dissolution of Ti, Zr, Nb, Ta, Cr, and Mn in HF-DMF and HF-DMF-H/sub 2/O/sub 2/ systems. The dimethylammonium oxyfluoride complexes were isolated and characterized. Metals of groups IV-VI may be oxidized in HF-DMF and HF-DMF-H/sub 2/O/sub 2/ systems. The dimethylammonium oxyfluoride complexes of titanium(IV), zirconium(IV), niobium(V), tantalum(V), and the oxyfluorides of chromium(III) and manganese(II) were isolated and characterized.

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

    PubMed

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

    2003-07-04

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

  18. 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

  19. Effect of Nb Addition to Ti-Bearing Super Martensitic Stainless Steel on Control of Austenite Grain Size and Strengthening

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoping; Langelier, Brian; Gault, Baptiste; Subramanian, Sundaresa

    2017-05-01

    The role of Nb in normalized and tempered Ti-bearing 13Cr5Ni2Mo super martensitic stainless steel is investigated through in-depth characterization of the bimodal chemistry and size of Nb-rich precipitates/atomic clusters and Nb in solid solution. Transmission electron microscopy and atom probe tomography are used to analyze the samples and clarify precipitates/atom cluster interactions with dislocations and austenite grain boundaries. The effect of 0.1 wt pct Nb addition on the promotion of (Ti, Nb)N-Nb(C,N) composite precipitates, as well as the retention of Nb in solution after cooling to room temperature, are analyzed quantitatively. (Ti, Nb)N-Nb(C,N) composite precipitates with average diameters of approximately 24 ± 8 nm resulting from epitaxial growth of Nb(C,N) on pre-existing (Ti,Nb)N particles, with inter-particle spacing on the order of 205 ± 68 nm, are found to be associated with mean austenite grain size of 28 ± 10 µm in the sample normalized at 1323 K (1050 °C). The calculated Zener limiting austenite grain size of 38 ± 13 µm is in agreement with the experimentally observed austenite grain size distribution. 0.08 wt pct Nb is retained in the as-normalized condition, which is able to promote Nb(C, N) atomic clusters at dislocations during tempering at 873 K (600 °C) for 2 hours, and increases the yield strength by 160 MPa, which is predicted to be close to maximum increase in strengthening effect. Retention of solute Nb before tempering also leads to it preferentially combing with C and N to form Nb(C, N) atom clusters, which suppresses the occurrence of Cr- and Mo-rich carbides during tempering.

  20. Effect of Nb Addition to Ti-Bearing Super Martensitic Stainless Steel on Control of Austenite Grain Size and Strengthening

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoping; Langelier, Brian; Gault, Baptiste; Subramanian, Sundaresa

    2017-03-01

    The role of Nb in normalized and tempered Ti-bearing 13Cr5Ni2Mo super martensitic stainless steel is investigated through in-depth characterization of the bimodal chemistry and size of Nb-rich precipitates/atomic clusters and Nb in solid solution. Transmission electron microscopy and atom probe tomography are used to analyze the samples and clarify precipitates/atom cluster interactions with dislocations and austenite grain boundaries. The effect of 0.1 wt pct Nb addition on the promotion of (Ti, Nb)N-Nb(C,N) composite precipitates, as well as the retention of Nb in solution after cooling to room temperature, are analyzed quantitatively. (Ti, Nb)N-Nb(C,N) composite precipitates with average diameters of approximately 24 ± 8 nm resulting from epitaxial growth of Nb(C,N) on pre-existing (Ti,Nb)N particles, with inter-particle spacing on the order of 205 ± 68 nm, are found to be associated with mean austenite grain size of 28 ± 10 µm in the sample normalized at 1323 K (1050 °C). The calculated Zener limiting austenite grain size of 38 ± 13 µm is in agreement with the experimentally observed austenite grain size distribution. 0.08 wt pct Nb is retained in the as-normalized condition, which is able to promote Nb(C, N) atomic clusters at dislocations during tempering at 873 K (600 °C) for 2 hours, and increases the yield strength by 160 MPa, which is predicted to be close to maximum increase in strengthening effect. Retention of solute Nb before tempering also leads to it preferentially combing with C and N to form Nb(C, N) atom clusters, which suppresses the occurrence of Cr- and Mo-rich carbides during tempering.

  1. 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.

  2. HF mitigation via the Texaco-UOP HF additive technology

    SciTech Connect

    Sheckler, J.C.; Hammershaimb, H.U. ); Ross, L.J. ); Comey, K.R. III . Research and Development)

    1994-01-01

    Alkylation is one of the key processes used by refiners to produce high-octane gasoline. In the alkylation process, light olefins and isobutane are converted to alkylate, a high-octane, low-vapor-pressure, paraffinic gasoline-blending component. Because of its clean burning characteristics and ability to contribute to lower emissions, alkylate is a highly valued component in premium and reformulated gasolines. Alkylation process technology using hydrogen fluoride (HF) as a catalyst has been widely used for many years. Since the mid-1980s, a primary concern has been the tendency of HF to form an aerosol when HF is released to the atmosphere. Much effort has gone into the development of measures to ensure the safe handling of HF in the refinery environment. Texaco and UOP have under development an HF additive technology. The key to this technology is the discovery of a class of additives that form a complex with HF to significantly reduce the aerosol-forming tendency of the catalyst system and still maintain acceptable catalytic performance and product quality. The purpose of this paper is to provide an update on the development status of the Texaco-UOP HF additive technology. Aerosol reduction has been demonstrated in small-scale laboratory release tests as well as in larger scale wind tunnel release tests. The catalytic performance of the HF additive has been demonstrated in laboratory alkylation facilities and in a short-term experimental trial in a full-scale refinery unit. On the basis of the positive results obtained in the test program, a project is under way to implement the HF additive technology on a continuous basis in an existing Texaco alkylation unit by the third quarter of 1994.

  3. Effects of Gibbs free energy of interfacial metal oxide on resistive switching characteristics of solution-processed HfOx films

    NASA Astrophysics Data System (ADS)

    Hsu, Chih-Chieh; Sun, Jhen-Kai; Tsao, Che-Chang; Chuang, Po-Yang

    2017-08-01

    Effects of bottom electrodes (BEs) of Al, Mo, and Pt on resistive switching characteristics of sol-gel HfOx films were investigated in this work. To avoid influences of plasma or thermal energy on HfOx RS characteristic, the top electrodes were formed by pressing indium balls onto the HfOx surface rather than by using a sputter or an evaporator. When using Mo as the BE, the as-deposited HfOx film can give a forming-free resistive switching behavior with low set/reset voltages of 0.28 V / - 0.54 V. In contrast, non-switching characteristics of the HfOx films were observed when using Al and Pt as the BEs. The HfOx conduction current was found to be highly dependent on the BE. However, when an annealing process at 350 °C in an oxygen ambient was performed to the HfOx films on different BEs, the resistive switching behavior of the HfOx/Mo was absent while it can be found in the HfOx/Al sample. Differences in I-V characteristics of the HfOx films on different BEs were explained by considering Gibbs free energies of interfacial oxide layers. X-ray photoelectron spectroscopy (XPS) depth profile was used to examine the interfacial oxide layer. The resistive switching mechanism was also studied.

  4. Low Nb/Ta in the Archean Mantle: Ancient Missing Niobium in the Silicate Earth

    NASA Astrophysics Data System (ADS)

    Jochum, K. P.; Polat, A.; Stoll, B.; Hofmann, A. W.

    2001-12-01

    Recent investigations of oceanic basalts (MORB, OIB) and samples of the continental crust show that the continental crust and the sources of MORB and OIB all have Nb/Ta ratios that are significantly lower than the CI-chondritic value of 17.4. The missing, complementary high-Nb/Ta reservoir has been suggested to exist in the form of Nb-rich, high-Nb/Ta refractory eclogites deep in the mantle (McDonough, 1991; Rudnick et al., 2000). Alternatively, Wade and Wood (2001) recently showed that at high pressure Nb may fractionate into the core, and thus no hidden reservoir would be required within the silicate portion of the Earth. To get further insight of the missing Nb in the silicate portion of the Earth and to test the two hypotheses, we used spark source and ICP mass spectrometry to investigate the geochemically very similar element pairs Nb-Ta and Zr-Hf in komatiitic basalts from 6 Archean greenstone belts. Samples include 3.8 Ga old rocks from Isua (Greenland), 3.4 Ga old rocks from the Onverwacht Group (South Africa) and the Pilbara Craton (Australia), and 2.7 Ga old rocks from the Abitibi (Canada) and the Norseman-Wiluna belts (Australia). Our results show that the mean Zr/Hf ratio of 37 for the Archean samples is identical within error limits with the values found in modern oceanic basalts and in chondritic meteorites. This means that Zr and Hf have not been fractionated in the Earth's mantle since at least 3.8 Ga and that the primitive mantle has a chondritic Zr/Hf ratio. In contrast, Nb and Ta behave differently. The mean Nb/Ta ratios are about 13 for the 3.8 Ga old samples from Isua, and 14 for the 3.4 Ga and 2.7 Ga old samples. These ratios are similar to those of MORB (15), OIB (about 15) (Jochum et al., 1997), and upper crustal material (13; Barth et al., 2000), but are significantly lower than the CI chondritic Nb/Ta of 17.4. This implies that there was no significant fractionation of Nb and Ta in the major reservoirs since 3.8 Ga, not even during

  5. Early paleozoic granodioritic plutons in the Shedong W-Mo ore district, Guangxi, southern China: Products of re-melting of middle Proterozoic crust due to magma underplating

    NASA Astrophysics Data System (ADS)

    Jiang, Xingzhou; Kang, Zhiqiang; Xu, Jifeng; Feng, Zuohai; Pang, Chongjin; Fang, Guicong; Wu, Jiachang; Xiong, Songquan

    2017-06-01

    The Shedong W-Mo ore district in the south-central Dayaoshan Uplift of Guangxi, southern China hosts the Baoshan and Pingtoubei deposits, both of which occur in granodioritic plutons. Zircon U-Pb dating of granodiorites and its mafic microgranular enclaves (MMEs) in the Baoshan deposit yielded ages of 439.8 ± 3.2 and 441.1 ± 2.2 Ma, respectively. Granodiorites have moderate SiO2 (54.5-63.0 wt.%) and high Al2O3 (15.4-17.8 wt.%) contents, wide variations in major element ratios, significant rare earth element fractionation, and small negative Eu anomalies. They are rich in Th, U, Zr, and Hf, and depleted in Ba, Nb, and Ti. Their initial 87Sr/86Sr, εNd(t), and εHf(t) values are in the range of 0.7086-0.7091, -5.2 to -6.6 and -6.3 to +1.6, respectively. Rounded or lenticular MMEs have relatively low silica and high mafic components, depletion in Eu, Sr, and Zr, and marked negative Eu anomalies. Rb/Sr and Nb/Ta ratios, and εNd(t) and εHf(t) values of the MMEs are higher than those of host granodiorites, indicating a different magmatic source. Zircon U-Pb dating of the unexposed granodiorite porphyry in the Pingtoubei deposit yielded an age of 440.0 ± 1.7 Ma. The granodiorite porphyries have high SiO2 and low K2O, FeOT, and MgO contents, with similar trace element features to the granodiorites at the Baoshan deposit, although the former has small negative Eu anomalies. Its initial 87Sr/86Sr values range from 0.7162 to 0.7173, εNd(t) values from -8.7 to -12.3, and εHf(t) values from -7.8 to +1.3, indicative of a crustal source. Nd and Hf two-stage model ages of the granodiorites, MMEs, and granodiorite porphyries have a narrow range between 1.3 and 2.2 Ga. We propose that the granodiorites and MMEs at the Baoshan deposit were produced through re-melting of middle Proterozoic crust as a result of underplating of mantle-derived magmas in a transitional compression-to-extension tectonic setting. Mantle-derived magmas provided the heat and material for the formation

  6. Geochronology, geochemistry, and Sr-Nd-Pb-Hf isotopes of the Zhunsujihua granitoid intrusions associated with the molybdenum deposit, northern Inner Mongolia, China: implications for petrogenesis and tectonic setting

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaojun; Lentz, David R.; Yao, Chunliang; Liu, Rui; Yang, Zhen; Mei, Yanxiong; Fan, Xianwang; Huang, Fei; Qin, Ying; Zhang, Kun; Zhang, Zhenfei

    2017-08-01

    The Zhunsujihua porphyry molybdenum deposit, located in northern Inner Mongolia of China that belongs to Central-Asian Orogenic Belt (CAOB), is the only Mo deposit formed in the late Carboniferous in this area so far. Its mineralization is mainly restricted to the Zhunsujihua granitoid intrusions, which are composed of the main granodiorite (GD) and crosscutting, virtually coeval minor syn-ore leucogranite (LG) and diorite porphyry (DP) dykes. LA-ICP-MS zircon U-Pb dating yields crystallization ages of 300.0 ± 2.0, 299.3 ± 2.0, and 299.0 ± 2.6 Ma for the GD, LG, and DP, respectively. The major and trace element lithogeochemical data show that the GD and LG are metaluminous to weakly peraluminous, high-K calc-alkaline series with I-type granite characteristics, strongly oxidized, with low concentrations of Ba, Nb, Sr, P, and Ti and elevated K and Rb contents, indicating typical arc magmatic features. The LG is a product derived by extensive fractional crystallization of a parental magma similar to the GD as evident from the lower Eu/Eu*, Nb/Ta, Zr/Hf, and T Zr. The moderately altered DP exhibits high concentrations of K, Rb, Cs, LREE, Y, and low Sr/Y, with a positive ɛ Nd (300 Ma), which indicates a mantle or juvenile source associated with an arc setting. The Sr-Nd-Hf isotope data show low I Sr (0.70406-0.70461) and moderate ɛ Nd (300 Ma) (-0.9 to 1.5) for the GD and LG, and relatively high ɛ Hf (300 Ma) values (-3.6 to +11.2) for the GD, suggesting the magma mainly originated from the juvenile lower crust that was derived from depleted mantle, with a minor component of ancient continental crust. Lead isotope data have characteristics of a lower crust source with minor contamination by upper crustal material. Combined with previous research, the Zhunsujihua granitoid intrusions developed in an intracontinental volcanic arc (Uliastai) associated with northward subduction of the Paleo-Asian Ocean plate during late Carboniferous to early Permian; this suggests

  7. 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.

  8. 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, ...

  9. Catalytic efficiency of Nb and Nb oxides for hydrogen dissociation

    NASA Astrophysics Data System (ADS)

    Isobe, Shigehito; Kudoh, Katsuhiro; Hino, Satoshi; Hara, Kenji; Hashimoto, Naoyuki; Ohnuki, Somei

    2015-08-01

    In this letter, catalytic efficiency of Nb, NbO, Nb2O3, NbO2, and Nb2O5 for dissociation and recombination of hydrogen were experimentally investigated. On the surface of Nb and Nb oxides in a gas mixture of H2 and D2, H2 and D2 molecules can be dissociated to H and D atoms; then, H2, D2, 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 H2 and HD gas was analyzed by quadrupole mass spectrometry. As a result, NbO showed the highest catalytic activity towards hydrogen dissociation and recombination.

  10. 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.

  11. 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.

  12. Thermodynamics of Ternary Nitride Formation by Ammonolysis: Application to LiMoN2, Na3WN3 and Na3WO3N

    DTIC Science & Technology

    1992-01-01

    TiN -309.2 ZrO2 -1042 ZrN -336.8 V205 -1423 VN -191.2 Nb205 -1766 NbN -213.4 Ta205 -1920 Ta3N5 -1151b Cr03 -506.3 CrN -92.0 MoO3 -669.4 Mo2N -50.2 W03...reports that Nb2O5, Ta2O5, MoO3 and WCO can be reacted in flowing ammonia gas at 973 - 1123 K to produce NbN, Ta3N5, Mo 2N and W2N, respectively. 28...mol, respectively) Li20 (base) + MoO3 (acid) -4 Li2MO04 (3) Na2O (base) + W03 (acid) -+ Na2WO4 (4) when compared to their standard free energies of

  13. Syntheses and structures of Sc2Nb(4–x)Sn5, YNb6Sn6, and ErNb6Sn5: exploratory studies in ternary rare-earth niobium stannides.

    PubMed

    Yue, Cheng-Yang; Lei, Xiao-Wu

    2012-02-20

    Three new rare-earth (RE) niobium stannides, namely, Sc(2)Nb(4-x)Sn(5) (x = 0.37, 0.52), YNb(6)Sn(6), and ErNb(6)Sn(5), have been obtained by reacting the mixture of corresponding pure elements at high temperature and structurally characterized by single-crystal X-ray diffraction studies. Sc(2)Nb(4-x)Sn(5) crystallizes in the orthorhombic space group Ibam (No. 72) and belongs to the V(6)Si(5) type. Its structure features a three-dimensional (3D) network composed of two-dimensionally (2D) corrugated [Nb(2)Sn(2)] and [Nb(2)Sn(3)] layers interconnected via Nb-Sn bonds, forming one type of one-dimensional (1D) narrow tunnels along the c axis occupied by Sc atoms. YNb(6)Sn(6) crystallizes in the hexagonal space group P6/mmm (No. 191) and adopts the HfFe(6)Ge(6) type, and ErNb(6)Sn(5) crystallizes in the trigonal space group R3m (No. 166) and belongs to the LiFe(6)Ge(5) type. Their structures both feature 3D networks based on 2D [Nb(3)Sn], [Sn(2)], and [RESn(2)] layers (RE = Y, Er). In YNb(6)Sn(6), one type of [Nb(3)Sn] layer is interconnected by [Sn(2)] and [YSn(2)] layers via Nb-Sn bonds to form a 3D network. However, in ErNb(6)Sn(5), two types of [Nb(3)Sn] layers are interlinked by [Sn(2)] and [ErSn(2)] layers via Nb-Sn bonds into a 3D framework. Electronic structure calculations and magnetic property measurements for "Sc(2)Nb(4)Sn(5)" and YNb(6)Sn(6) indicate that both compounds show semimetallic and temperature-independent diamagnetic behavior.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. Advanced HF anti-jam network architecture

    NASA Astrophysics Data System (ADS)

    Jackson, E. M.; Horner, Robert W.; Cai, Khiem V.

    The Hughes HF2000 system was developed using a flexible architecture which utilizes a wideband RF front-end and extensive digital signal processing. The HF2000 antijamming (AJ) mode was field tested via an HF skywave path between Fullerton, CA and Carlsbad, CA (about 100 miles), and it was shown that reliable fast frequency-hopping data transmission is feasible at 2400 b/s without adaptive equalization. The necessary requirements of an HF communication network are discussed, and how the HF2000 AJ mode can be used to support those requirements is shown. The Hughes HF2000 AJ mode system architecture is presented.

  20. Thermodynamic Stability of High-K Dielectric Metal Oxides ZrO2 and HfO2 in Contact with Si and SiO2

    SciTech Connect

    Gutowski, Maciej S. ); Jaffe, John E. ); Lui, Chun-Li; Stoker, Matt; Hegde, Rama I.; Rai, Raghaw S.; Tobin, Philip J.

    2002-03-18

    We present theoretical and experimental results regarding the thermodynamic stability of the high-k dielectrics MO2 (M= Zr and Hf) in contact with Si and SiO2. The HfO2/Si interface is found to be stable with respect to formation of silicides whereas the ZrO2/Si interface is not. The MO2/SiO2 interface is marginally unstable with respect to formation of silicates. Cross-sectional transmission electron micrographs expose formation of nodules, identified as silicides, across the polysilicon/ZrO2/Si interfaces but not for the interfaces with HfO2. For both ZrO2 and HfO2, the X-ray photoemission spectra illustrate formation of silicate-like compounds in the MO2/SiO2 interface.

  1. 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.

  2. Carbonitride population development in 9Cr-1Mo weldments

    SciTech Connect

    Haigh, R.H.; Strangwood, M.; Widgery, D.J.

    1996-12-31

    The development and growth of carbonitrides in modified 9Cr-1Mo weldments has been studied and related to Nb and Ni levels. Carbonitride population in as-deposited welds was found to be largely intralath Fe{sub 3}C needles. High Nb levels were found to promote the formation of a complex needle, containing a core (believed to be Nb-rich M(C,N)). These needles were stable during PWHT of 2 hours at 760 C in low Nb weldments. In the presence of high Nb, transformation to faceted M{sub 23}C{sub 6} occurred. This has been attributed to chromium enrichment of the localized matrix during formation of the Nb-rich cores. VC carbides were observed at lath boundaries in low Nb material. These effects have been considered with respect to equilibrium thermodynamic calculations. Small (20 nm diameter) spherical carbides were observed in the low Ni material. This has been attributed to enrichment of localized regions due to solute rejection from {delta}-ferrite regions.

  3. Subduction Contributions in the Trans-Mexican Volcanic Belt: Implications from Lava Chemistry and Hf-Nd-Pb Isotopes

    NASA Astrophysics Data System (ADS)

    Cai, Y.; Goldstein, S. L.; Langmuir, C. H.; Gómez-Tuena, A.; Lagatta, A.; Straub, S. M.; Martín Del Pozzo, A.

    2007-05-01

    Despite thick continental crust, near primitive lavas erupt throughout the Trans-Mexican Volcanic Belt (TMVB). In order to distinguish and better constrain subduction contributions and effects of crustal contamination, we analyzed samples representing subducting sediments from DSDP Site 487, and Quaternary lavas from stratovolcanoes and cinder cones, including alkaline "high-Nb" lavas from the Sierra Chichinautzin Volcanic Field (SCVF) showing negligible subduction signature in its trace element chemistry and representing melts of the mantle wedge. Our primary observations and implications are: (1) The high-Nb SCVF `intraplate' lavas define a linear trend along the "Nd-Hf mantle-crust array", defining the composition of the mantle wedge. (2) Popocatepetl and Nevado de Toluca stratovolcanoes show the highest Nd and Hf isotope ratios, higher than the `intraplate' lavas, indicating their sources are more "depleted mantle-like" than the regional mantle wedge. (3) The Popo and Toluca chemical and isotopic trends sharply contrast with Pico de Orizaba, which shows classic indications of crustal contamination (e.g. high 207Pb/204Pb, low Nd-Hf isotope ratios), consistent with contamination by local Precambrian crust. (4) Higher Nd-Hf isotopes in Popo and Toluca lavas also correlate with lower Pb isotope ratios, and lower Lu/Hf and Zr/Hf. Together, these data indicate contributions from subducted Pacific oceanic crust and hydrothermal sediment. (5) Popo and Toluca are also enriched in Th/LREE compared with `intraplate' lavas, reflecting subducted sediment contributions. (6) Nd-Hf isotope ratios of hydrothermal sediment from DSDP Site 487 lie on the "seawater array", with high Hf isotope ratios compared to the "mantle-crust array". Popo and Toluca Nd-Hf isotopes display a shallower slope than the "intraplate lava Nd-Hf array", reflecting contributions from hydrothermal sediment. Popocatepetl and Toluca lavas therefore avoid substantial crustal contamination of mantle wedge

  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. Radio HF precursors of Earthquakes

    NASA Astrophysics Data System (ADS)

    Ruzhin, Yu.; Nomicos, C.; Vallianatos, F.; Shpakovsky, V.

    The high frequency (HF) earthquake electromagnetic precursors (40-55MHz band) were recorded by the four electromagnetic stations a few days (hours) prior the event associated with earthquakes with magnitude more than 5.0 at Crete Island. These experiments were performed continuously during 1998-2002 and specific peculiarities are found. This is underhorizon epicenter position for main part of events under question. Another unusual result is that such HF preseismic radio noise-like signals are responsible for seaquakes too. We made conclusion about developing of some thunderstorm-like charged clouds activity in atmosphere before the seismic event. As result of our analysis and interpretation of the available data of continuous observations on a network of Crete island we should state here, that in an atmosphere above the sea on the eve of earthquake at heights of 0.1-10 km the spatially distributed spots of sporadic charged clouds are occurred and the conditions for the electrical discharges in an atmosphere are created which can serve a source of HF radio-emission registered by Crete network. The atmosphere theory relations are used to model a corresponding to an anomalous event emissions generation observed on the Crete. The supposed mechanism of preseismic electricity generation is the model of convection carrier started in an atmosphere. It is governed by the horizontal gradient of air temperature. The occurrence of electrical charges in a surface of the sea and transportation them further on heights up to 10 km in our model occurs due to sporadic energy injections that allocated within bottom of the sea as gases and heat. The dimensions of width and height govern the size of atmosphere convection cells in the earthquake preparation area. These dimensions of the sporadic spots are close to 3 km each as it is derived from shadow geometry and spectral fluctuations of HF signal. Based on experience of Crete HF precursors observation the method for satellite mapping

  6. (Ln = Pr, Nd, M = Nb, Ta)

    NASA Astrophysics Data System (ADS)

    Noked, O.; Melchior, A.; Shuker, R.; Steininger, R.; Kennedy, B. J.; Sterer, E.

    2014-06-01

    High-pressure X-ray diffraction measurements have demonstrated that the cation-deficient perovskites Pr1/3NbO3, Pr1/3TaO3, Nd1/3NbO3, and Nd1/3TaO3 undergo irreversible pressure-induced amorphization (PIA). This occurs near 14.5 GPa for the niobates and 18.5 GPa for the tantalates. The unit cell volumes of the four oxides show an almost linear decrease as the pressure is increased. It is concluded that the PIA transition occurs at higher pressures in the tantalates due to the lower MO6 initial tilting at ambient conditions, which is associated with the larger atomic mass of the tantalum. The behavior of these oxides is compared to that of CaTiO3, and the role of both the weakening of the M-O-M π-bonding and the cation vacancies on the observed structural changes is discussed.

  7. HfS, Hyperfine Structure Fitting Tool

    NASA Astrophysics Data System (ADS)

    Estalella, Robert

    2017-02-01

    Hyperfine Structure Fitting (HfS) is a tool to fit the hyperfine structure of spectral lines with multiple velocity components. The HfS_nh3 procedures included in HfS simultaneously fit the hyperfine structure of the NH3 (J, K) = (1, 1) and (2, 2) transitions, and perform a standard analysis to derive {T}{ex}, NH3 column density, {T}{rot}, and {T}{{k}}. HfS uses a Monte Carlo approach for fitting the line parameters. Special attention is paid to the derivation of the parameter uncertainties. HfS includes procedures that make use of parallel computing for fitting spectra from a data cube.

  8. Interlayer breathing and shear modes in NbSe2 atomic layers

    NASA Astrophysics Data System (ADS)

    He, Rui; van Baren, Jeremiah; Yan, Jia-An; Xi, Xiaoxiang; Ye, Zhipeng; Ye, Gaihua; Lu, I.-Hsi; Leong, S. M.; Lui, C. H.

    2016-09-01

    Atomically thin NbSe2 is a metallic layered transition metal dichalcogenide with novel charge-density-wave (CDW) and superconductive phases. Properties of NbSe2 atomic layers are sensitive to interlayer coupling. Here we investigate the interlayer phonons of few-layer NbSe2 by ultralow-frequency Raman spectroscopy. We observe both the interlayer breathing modes and shear modes at frequencies below 40 cm-1 for samples of 2-15 layers. Their frequency, Raman activity, and environmental instability depend systematically on the layer number. We account for these results by a combination of linear-chain model, group theory and first-principles calculations. We find that, although NbSe2 has different stacking order from MoS2, MoSe2, WS2 and WSe2, they share the same crystal symmetry groups and exhibit similar Raman selection rules for interlayer phonons. In addition, the interlayer phonon modes evolve smoothly from T = 300 to 8 K, with no observable response to the CDW formation in NbSe2. This finding indicates that the atomic registry between adjacent NbSe2 layers is well preserved in the CDW transition.

  9. Petrogenesis of the mineralized granitoids from the Kounrad and Borly porphyry Cu deposits and the East Kounrad porphyry Mo deposit in Kazakhstan: Implication for tectonic evolution and mineralization of the western part of the Central Asian Orogenic Belt

    NASA Astrophysics Data System (ADS)

    Shen, Ping; Pan, Hongdi; Seitmuratova, Eleonora

    2017-08-01

    The Kounrad region, located in the western part of the Central Asian Orogenic Belt, hosts the Kounrad porphyry Cu, the Borly porphyry Cu-Mo, and the East Kounrad porphyry Mo deposits. Secondary ion mass spectrometry (SIMS) zircon U-Pb dating indicates that the mineralized granitoids from the Kounrad, the Borly and the East Kounrad deposits emplaced at 331.7 ± 2.2 Ma, 311.6 ± 2.6 Ma, and 295.4 ± 2.9 Ma, respectively. The mineralized granodiorite porphyries at Kounrad show a geochemical affinity to adakitic rocks with high Sr (357-670 ppm), Sr/Y (40-68) and Mg numbers (Mg# = molar Mg/(Mg + Fe2 +)) from 0.43 to 0.51, low Yb (0.97-1.1 ppm) and Y (8.3-11.1 ppm). They have variable Sr-Nd-Hf-O isotopic compositions ((87Sr/86Sr)i = 0.7046 to 0.7051, εNd(t) = - 0.1 to + 1.1, εHf(t) = + 5.2 to + 9.0, δ18O = + 5.7 to + 6.8). These features indicate that the Kounrad adakitic magmas derived from the MASH (melting, assimilation, storage, homogenization) zone at depth of 40 km with 5-15% ancient basement rocks contamination. The mineralized granodiorite porphyries at Borly have a normal arc magma geochemical signature (e.g., enrichment of light rare earth elements (LREE) and depletion of heavy REE, Nb and Ti) and experienced fractional crystallization. They also have variable Sr-Nd-Hf-O isotopic compositions ((87Sr/86Sr)i = 0.7047 to 0.7053, εNd(t) = 0 to - 1.3, εHf(t) = - 0.6 to + 7.4, δ18O = + 5.5 to + 6.7) and Mg# (0.45 to 0.51), indicating that they were generated by melting of juvenile basaltic lower crust with normal thickness, followed by 10-30% ancient crustal contamination. The East Kounrad mineralized intrusions, consisting of granite and leucogranite, have experienced advanced degrees of fractional crystallization and have similar Sr-Nd-Hf-O isotopic compositions ((87Sr/86Sr)i = 0.7048, ɛNd (t) = + 1.0 to + 2.8, εHf(t) = + 4.8 to + 8.9, δ18O = + 5.6 to + 6.4) and low Mg# (0.18-0.37), indicating a juvenile lower crust source at depths of < 27 km with 10

  10. The dipolar endofullerene HF@C60

    NASA Astrophysics Data System (ADS)

    Krachmalnicoff, Andrea; Bounds, Richard; Mamone, Salvatore; Alom, Shamim; Concistrè, Maria; Meier, Benno; Kouřil, Karel; Light, Mark E.; Johnson, Mark R.; Rols, Stéphane; Horsewill, Anthony J.; Shugai, Anna; Nagel, Urmas; Rõõm, Toomas; Carravetta, Marina; Levitt, Malcolm H.; Whitby, Richard J.

    2016-10-01

    The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage with the escape of HF minimized. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1H-19F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole.

  11. The dipolar endofullerene HF@C60.

    PubMed

    Krachmalnicoff, Andrea; Bounds, Richard; Mamone, Salvatore; Alom, Shamim; Concistrè, Maria; Meier, Benno; Kouřil, Karel; Light, Mark E; Johnson, Mark R; Rols, Stéphane; Horsewill, Anthony J; Shugai, Anna; Nagel, Urmas; Rõõm, Toomas; Carravetta, Marina; Levitt, Malcolm H; Whitby, Richard J

    2016-10-01

    The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage with the escape of HF minimized. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large (1)H-(19)F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole.

  12. 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.

  13. Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4?, Nb5?)

    SciTech Connect

    Balasubramanian, K; Majumdar, D

    2004-05-06

    Geometries and energy separations of the various low-lying electronic states of Nb{sub n} and Nb{sub n}{sup -} (n = 4, 5) clusters with various structural arrangements have been investigated. The complete active space multi-configuration self-consistent field (CASMCSCF) method followed by multi-reference singles and doubles configuration interaction (MRSDCI) calculations that included up to 52 million configuration spin functions have been used to compute several electronic states of these clusters. The ground states of both Nb{sub 4} ({sup 1}A', pyramidal) and Nb{sub 4}{sup -} ({sup 2}B{sub 3g}, rhombus) are low-spin states at the MRSDCI level. The ground state of Nb{sub 5} cluster is a doublet with a distorted trigonal bipyramid (DTB) structure. The anionic cluster of Nb{sub 5} has two competitive ground states with singlet and triplet multiplicities (DTB). The low-lying electronic states of these clusters have been found to be distorted due to Jahn-Teller effect. On the basis of the energy separations of our computed electronic states of Nb{sub 4} and Nb{sub 5}, we have assigned the observed photoelectron spectrum of Nb{sub n}{sup -}(n = 4, 5) clusters. We have also compared our MRSDCI results with density functional calculations. The electron affinity, ionization potential, dissociation and atomization energies of Nb{sub 4} and Nb{sub 5} have been calculated and the results have been found to be in excellent agreement with the experiment.

  14. The chemical makeup of Nb and Nb 3Sn films

    NASA Astrophysics Data System (ADS)

    Rehn, Victor; Green, A. K.; Rosenberg, R. A.; Loubriel, G.; Parks, C. C.

    1981-08-01

    We report the identification and distribution of impurities found in films of Nb and Nb 3Sn which were grown by multiple-source electron-beam coevaporation. Both Auger-electron spectroscopy (AES) and photon-stimulated ion desorption (PSID) were used. The PSID results show large desorption yields of hydrogen from surface carbon, oxygen, silicon, and aluminum impurity sites on the Nb films. From the Nb 3Sn films, the dominant PSID yield was again hydrogen, which desorbed primarily from surface oxygen sites. Only after removal of 1-6 nm of material by Ar-ion sputtering was 0 + observed to be desorbed from Nb. 0 + desorption from Sn was never observed. The AES results showed only carbon, oxygen, and a trace of aluminum impurities in either material. Using Ar-ion sputter etching, the depth profiles of these impurities within the films were measured.

  15. Validity of Rigid-Band Approximation in the Study of Thermoelectric Properties of p-Type FeNbSb-Based Half-Heusler Compounds

    NASA Astrophysics Data System (ADS)

    Fang, Teng; Zheng, Shuqi; Zhou, Tian; Chen, Hong; Zhang, Peng

    2016-11-01

    Recently, we calculated the thermoelectric properties of p-type FeNbSb half-Heusler compounds by employing the rigid-band approximation (RBA) (Fang et al., RSC Adv 6:10507-10512, 2016). Traditionally, the RBA is used to understand and guide doping in semiconductors. It is therefore important to verify its reliability. To this end, we have investigated the validity of the RBA in heavily doped p-type FeNbSb by calculating the electronic structure and Seebeck coefficient of pure and Ti-, Zr-, Hf-, and Ce-doped FeNbSb using ab initio calculations. The results confirm that Ti, Zr, and Hf doping at Nb site shows rigid-band-like behavior, unlike Ce doping, which changes the density of states. We also calculated the electrical transport properties of the doped systems, indicating that the power factor of Ce-doped FeNbSb is lower than those of Ti-, Zr-, and Hf-doped FeNbSb.

  16. Production cross sections of niobium and tantalum isotopes in proton-induced reactions on (nat)Zr and (nat)Hf up to 14 MeV.

    PubMed

    Murakami, M; Haba, H; Goto, S; Kanaya, J; Kudo, H

    2014-08-01

    Production cross sections of Nb and Ta isotopes in the proton-induced reactions on (nat)Zr and (nat)Hf, respectively, were measured up to 14 MeV using a stacked-foil technique. The observed nuclides in the (nat)Zr(p,x) reactions were (90g,91m,92m,95m,95g,96)Nb, (95)Zr, and (87g,88)Y. In the (nat)Hf(p,x) reactions, (175,176,177,178,179)Ta and (175)Hf were observed. The obtained cross sections for each nuclide were compared with the previously reported data and with the theoretical cross sections calculated by the TALYS-1.4 code. Thick-target yields of the observed nuclides were deduced from the measured production cross sections. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    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.

  18. 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

    2016-09-08

    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.

  19. 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

  20. Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4-,Nb5-)

    NASA Astrophysics Data System (ADS)

    Majumdar, D.; Balasubramanian, K.

    2004-09-01

    Geometries and energy separations of the various low-lying electronic states of Nbn and Nbn- (n=4,5) clusters with various structural arrangements have been investigated. The complete active space multiconfiguration self-consistent field method followed by multireference singles and doubles configuration interaction (MRSDCI) calculations that included up to 52×106 configuration spin functions have been used to compute several electronic states of these clusters. The ground states of both Nb4 (1A', pyramidal) and Nb4- (2B3g, rhombus) are low-spin states at the MRSDCI level. The ground state of Nb5 cluster is a doublet with a distorted trigonal bipyramid (DTB) structure. The anionic cluster of Nb5 has two competitive ground states with singlet and triplet multiplicities (DTB). The low-lying electronic states of these clusters have been found to be distorted due to Jahn-Teller effect. On the basis of the energy separations of our computed electronic states of Nb4 and Nb5, we have assigned the observed photoelectron spectrum of Nbn- (n=4,5) clusters. We have also compared our MRSDCI results with density functional calculations. The electron affinity, ionization potential, dissociation and atomization energies of Nb4 and Nb5 have been calculated and the results have been found to be in excellent agreement with the experiment.

  1. Production cross sections from the bombardment of natural Mo with 1.85-GeV protons

    SciTech Connect

    Bardayan, D.W.; Hindi, M.M.

    1993-10-01

    {sup 91}Nb has been recently suggested as a candidate for a cosmic-ray chronometer. To use {sup 91}Nb as such, the relative production cross sections of {sup 91}Nb and {sup 91}Nb in the cosmic rays must be known. These isotopes are produced in the cosmic rays by spallation reactions of Mo and heavier elements on interstellar hydrogen. We have bombarded a natural Mo target with 1.85-GeV protons from the LBL Bevatron. The cross sections for the production of {sup 91,92}Nb and 29 other isotopes with 75 {le} A {le} 97, 35 {le} Z {le} 42 will be presented and compared with theoretical calculations.

  2. Thermoelectric properties of monolayer MSe2 (M = Zr, Hf): low lattice thermal conductivity and a promising figure of merit

    NASA Astrophysics Data System (ADS)

    Ding, Guangqian; Gao, G. Y.; Huang, Zhishuo; Zhang, Wenxu; Yao, Kailun

    2016-09-01

    Monolayer transition-metal dichalcogenides (TMDCs) MX2 (M = Mo, W, Zr, Hf, etc; X = S, Se, Te) have become well-known in recent times for their promising applications in thermoelectrics and field effect transistors. In this work, we perform a systematic study on the thermoelectric properties of monolayer ZrSe2 and HfSe2 using first-principles calculations combined with Boltzmann transport equations. Our results point to a competitive thermoelectric figure of merit (close to 1 at optimal doping) in both monolayer ZrSe2 and HfSe2, which is markedly higher than previous explored monolayer TMDCs such as MoS2 and MoSe2. We also reveal that the higher figure of merits arise mainly from their low lattice thermal conductivity, and this is partly due to the strong coupling of acoustic modes with low frequency optical modes. It is found that the figure of merits can be better optimized in n-type than in p-type. In particular, the performance of HfSe2 is superior to ZrSe2 at a higher temperature. Our results suggest that monolayer ZrSe2 and HfSe2 with lower lattice thermal conductivity than usual monolayer TMDCs are promising candidates for thermoelectric applications.

  3. Growth and optical properties of Nb-doped WS2 monolayers

    NASA Astrophysics Data System (ADS)

    Sasaki, Shogo; Kobayashi, Yu; Liu, Zheng; Suenaga, Kazutomo; Maniwa, Yutaka; Miyauchi, Yuhei; Miyata, Yasumitsu

    2016-07-01

    We report the chemical vapor deposition growth of Nb-doped WS2 monolayers and their characterization. Electron microscopy observations reveal that the Nb atom was substituted at the W site at a rate of approximately 0.5%. Unlike Mo doping, Nb-doped samples have photoluminescence (PL) peaks at 1.4-1.6 eV at room temperature. The peak energies are lower than the optical bandgap of 1.8 eV, and a saturation behavior of PL intensity is observed with the increase in excitation power. These results indicate that the observed PL peaks are assignable to the emission from impurity states generated by the substitution of Nb.

  4. 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.

  5. 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. Copyright © 2012 Wiley Periodicals, Inc.

  6. Dopant penetration studies through Hf silicate

    NASA Astrophysics Data System (ADS)

    Quevedo-Lopez, M. A.; Visokay, M. R.; Chambers, J. J.; Bevan, M. J.; LiFatou, A.; Colombo, L.; Kim, M. J.; Gnade, B. E.; Wallace, R. M.

    2005-02-01

    We present a study of the penetration of B, P, and As through Hf silicate (HfSixOy) and the effect of N incorporation in Hf silicate (HfSixOyNz) on dopant penetration from doped polycrystalline silicon capping layers. The extent of penetration through Hf silicate was found to be dependent upon the thermal annealing budget for each dopant investigated as follows: B(T⩾950°C/60s), P(T⩾1000°C/20s), and As (T⩾1050°C/60s). We propose that the enhanced diffusion observed for these dopants in HfSixOy, compared with that of SiO2 films, is related to grain boundary formation resulting from HfSixOy film crystallization. We also find that, as in the case of SiO2, N incorporation inhibits dopant (B, P, and As) diffusion through the Hf silicate and thus penetration into the underlying Si substrate. Only B penetration is clearly observed through HfSiON films for anneals at 1050 °C for durations of 10 s or longer. The calculated B diffusivity through the HfSixOyNz layer is D0=5.2×10-15cm2/s.

  7. HfSe2 thin films: 2D transition metal dichalcogenides grown by molecular beam epitaxy.

    PubMed

    Yue, Ruoyu; Barton, Adam T; Zhu, Hui; Azcatl, Angelica; Pena, Luis F; Wang, Jian; Peng, Xin; Lu, Ning; Cheng, Lanxia; Addou, Rafik; McDonnell, Stephen; Colombo, Luigi; Hsu, Julia W P; Kim, Jiyoung; Kim, Moon J; Wallace, Robert M; Hinkle, Christopher L

    2015-01-27

    In this work, we demonstrate the growth of HfSe2 thin films using molecular beam epitaxy. The relaxed growth criteria have allowed us to demonstrate layered, crystalline growth without misfit dislocations on other 2D substrates such as highly ordered pyrolytic graphite and MoS2. The HfSe2 thin films exhibit an atomically sharp interface with the substrates used, followed by flat, 2D layers with octahedral (1T) coordination. The resulting HfSe2 is slightly n-type with an indirect band gap of ∼ 1.1 eV and a measured energy band alignment significantly different from recent DFT calculations. These results demonstrate the feasibility and significant potential of fabricating 2D material based heterostructures with tunable band alignments for a variety of nanoelectronic and optoelectronic applications.

  8. More reduced Nb/sub 6/I/sub 8/ cluster. Synthesis and structure of CsNb/sub 6/I/sub 11/ and its hydride CsNb/sub 6/I/sub 11/H

    SciTech Connect

    Imoto, H.; Corbett, J.D.

    1980-05-01

    The title compound is formed by direct reaction of Nb/sub 3/I/sub 8/ or Nb/sub 6/I/sub 11/ with Nb and CsI in a sealed Nb tube at 910/sup 0/C. The structure and composition were established by X-ray crystallography: space group P6/sub 3/22, Z = 2, a = 11.007 (2) A, c = 11.894 (2) A, R = 0.047, and R/sub w/ = 0.060 for 777 independent reflections after correction for absorption and secondary extinction. The structure of Cs/sup +/((Nb/sub 6/I/sup i//sub 8/)I/sup a//sub 6/2/)/sup -/ consists of distorted metal octahedra face-capped by I/sup i/ to give Nb/sub 6/I/sub 8/ clusters (D/sub 3d/ symmetry) which are interconnected to other octahedra in a hexagonal close-packed arrangement through bridging I/sup a/. The Nb-Nb distances range from 2.771 (2) to 2.940 (2) A, the average of 2.825 A being 0.025 (4) A less than that in the known and closely related Nb/sub 6/I/sub 11/(Nb/sub 6/I/sub 8/I/sub 6/2/). The observed distortion of the octahedra in both phases can be understood in terms of packing and strain at the bridging iodine atoms. The title phase is converted to the isostructural CsNb/sub 6/I/sub 11/H by H/sub 2/ at 400/sup 0/C, whereas Mo/sub 6/CL/sub 12/, Na/sub 4/M/sub 6/Cl/sub 18/ (M = Nb, Ta), and Ta/sub 6/Cl/sub 15/ do not react with hydrogen at 300 to 400 /sup 0/C. Hydrogen absorption by halides of transition groups 5 and 6 and zirconium appears to require an oxidation state below 2.0. The upper limits of composition (oxidation state) found for group 3 to 6 halohydrides correspond closely to the upper limits found with the binary hydrides of the same metals.

  9. Early to late Yanshanian I-type granites in Fujian Province, SE China: Implications for the tectonic setting and Mo mineralization

    NASA Astrophysics Data System (ADS)

    Yang, Yu-Long; Ni, Pei; Yan, Jun; Wu, Chang-Zhi; Dai, Bao-Zhang; Xu, Ying-Feng

    2017-04-01

    The Cathaysia Block is the southeastern part of the South China Block in Southeast (SE) China, and it hosts voluminous late Mesozoic I-, S-, and A-type granitoids, as well as minor highly fractionated granites. We present here zircon U-Pb age data and Nd-Hf isotopic data for the Dayang and Juzhou granites, together with new petrological and geochemical analyses. The Dayang pluton consists of fine-grained two-mica monzonitic granites in which the plagioclases exhibit zoning and poikilitic textures. In contrast, the Juzhou pluton consists of medium- to coarse-grained biotite K-feldspar granites that lack zoning and poikilitic textures. The emplacement ages are 143 ± 2.3 Ma for the Dayang pluton and 133 ± 2.1 Ma for the Juzhou pluton according to zircon U-Pb isotope analyses. The Dayang and Juzhou granites are both metaluminous and belong to the shoshonitic series. The Dayang granite exhibits very flat REE patterns, showing the tetrad effect, and the spidergrams show striking negative Ba, Sr, Nb, and Ti anomalies and a positive Ta anomaly. In contrast, the Juzhou granite has sloping REE patterns, but like the Dayang granite it also has striking negative Ba, Sr, Nb, Ta, and Ti anomalies. Petrographic and geochemical evidence indicates that the Dayang granite is a highly fractionated I-type granite and that the Juzhou granite is a typical I-type granite. The tetrad effect in the Dayang granite can be interpreted in terms of melt-rock interactions at a late stage of magma evolution, whereas the main mechanism during the evolution of the Juzhou magma was fractionation of plagioclase, biotite, hornblende, apatite, zircon, and allanite. Nd-Hf isotope data suggest that the Dayang and Juzhou granites were both formed partial melting of Paleoproterozoic basement rock and juvenile material (underplating basalts or Mayuan Group amphibolites), with the Juzhou granite having a greater contribution from juvenile material than the Dayang granite. Our new data, together with

  10. Measurement of angular asymmetries in the decays B<mo stretchy='false'>→mo>K<mo>*mo><mo>ℓmo><mo>+mo><mo>ℓ−>

    SciTech Connect

    Lees, J. P.; Poireau, V.; Tisserand, V.; Grauges, E.; Palano, A.; Eigen, G.; Stugu, B.; Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lee, M. J.; Lynch, G.; Koch, H.; Schroeder, T.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; So, R. Y.; Khan, A.; Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Lankford, A. J.; Dey, B.; Gary, J. W.; Long, O.; Franco Sevilla, M.; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; West, C. A.; Eisner, A. M.; Lockman, W. S.; Panduro Vazquez, W.; Schumm, B. A.; Seiden, A.; Chao, D. S.; Cheng, C. H.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Miyashita, T. S.; Ongmongkolkul, P.; Porter, F. C.; Röhrken, M.; Andreassen, R.; Huard, Z.; Meadows, B. T.; Pushpawela, B. G.; Sokoloff, M. D.; Sun, L.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Spaan, B.; Bernard, D.; Verderi, M.; Playfer, S.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Piemontese, L.; Santoro, V.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Martellotti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Zallo, A.; Contri, R.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Bhuyan, B.; Prasad, V.; Adametz, A.; Uwer, U.; Lacker, H. M.; Mallik, U.; Chen, C.; Cochran, J.; Prell, S.; Ahmed, H.; Gritsan, A. V.; Arnaud, N.; Davier, M.; Derkach, D.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Stocchi, A.; Wormser, G.; Lange, D. J.; Wright, D. M.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Cowan, G.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Griessinger, K.; Hafner, A.; Schubert, K. R.; Barlow, R. J.; Lafferty, G. D.; Cenci, R.; Hamilton, B.; Jawahery, A.; Roberts, D. A.; Cowan, R.; Cheaib, R.; Patel, P. M.; Robertson, S. H.; Neri, N.; Palombo, F.; Cremaldi, L.; Godang, R.; Summers, D. J.; Simard, M.; Taras, P.; De Nardo, G.; Onorato, G.; Sciacca, C.; Raven, G.; Jessop, C. P.; LoSecco, J. M.; Honscheid, K.; Kass, R.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simi, G.; Simonetto, F.; Stroili, R.; Akar, S.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Biasini, M.; Manoni, E.; Rossi, A.; Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Chrzaszcz, M.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Oberhof, B.; Paoloni, E.; Rama, M.; Rizzo, G.; Walsh, J. J.; Lopes Pegna, D.; Olsen, J.; Smith, A. J. S.; Anulli, F.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Pilloni, A.; Piredda, G.; Bünger, C.; Dittrich, S.; Grünberg, O.; Hess, M.; Leddig, T.; Voß, C.; Waldi, R.; Adye, T.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Vasseur, G.; Aston, D.; Bard, D. J.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Ebert, M.; Field, R. C.; Fulsom, B. G.; Graham, M. T.; Hast, C.; Innes, W. R.; Kim, P.; Leith, D. W. G. S.; Luitz, S.; Luth, V.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Va’vra, J.; Wisniewski, W. J.; Wulsin, H. W.; Purohit, M. V.; Wilson, J. R.; Randle-Conde, A.; Sekula, S. J.; Bellis, M.; Burchat, P. R.; Puccio, E. M. T.; Alam, M. S.; Ernst, J. A.; Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.; Spanier, S. M.; Ritchie, J. L.; Schwitters, R. F.; Izen, J. M.; Lou, X. C.; Bianchi, F.; De Mori, F.; Filippi, A.; Gamba, D.; Lanceri, L.; Vitale, L.; Martinez-Vidal, F.; Oyanguren, A.; Albert, J.; Banerjee, Sw.; Beaulieu, A.; Bernlochner, F. U.; Choi, H. H. F.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Lueck, T.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.; Tasneem, N.; Gershon, T. J.; Harrison, P. F.; Latham, T. E.; Band, H. R.; Dasu, S.; Pan, Y.; Prepost, R.; Wu, S. L.

    2016-03-28

    We study the lepton forward-backward asymmetry AFB and the longitudinal K* polarization FL, as well as an observable P2 derived from them, in the rare decays B→K<mo>*mo><mo>ℓmo><mo>+->, where + is either e+e- or μ+μ-, using the full sample of 471 million BB-events collected at the (4S) resonance with the BABAR, detector at the PEP-II e+e- collider. We separately fit and report results for the K*0(892)+ and K*+(892)+ final states, as well as their combination K<mo>*mo><mo>ℓmo><mo>+->, in five disjoint dilepton mass-squared bins. An angular analysis of B+→K<mo>*mo><mo>ℓmo><mo>+-> decays is presented here for the first time.

  11. Radiation effects in intrinsic 3HF scintillator

    NASA Astrophysics Data System (ADS)

    Bross, Alan D.; Pla-Dalmau, Anna

    1993-04-01

    Test scintillators of the type 3-hydroxyflavone (3HF) plus polystyrene were prepared with 3HF doping concentrations between 0.05% and 2.0% by weight. Ternary scintillators of the type p-terphenyl(1%)+3HF(0.01%) and p-terphenyl(1%)+3HF(0.1%) in polystyrene were also prepared. The scintillation light yield is given for all samples. Representative fluorescence and transmittance spectra are also shown. Changes in light yield, transmittance, and fluorescence are shown for 60Co irradiations with integrated doses of 10 and 30 Mrad.

  12. A Van Der Waals Homojunction: Ideal p-n Diode Behavior in MoSe2.

    PubMed

    Jin, Youngjo; Keum, Dong Hoon; An, Sung-Jin; Kim, Joonggyu; Lee, Hyun Seok; Lee, Young Hee

    2015-10-07

    A MoSe2 p-n diode with a van der Waals homojunction is demonstrated by stacking undoped (n-type) and Nb-doped (p-type) semiconducting MoSe2 synthesized by chemical vapor transport for Nb substitutional doping. The p-n diode reveals an ideality factor of ≈1.0 and a high external quantum efficiency (≈52%), which increases in response to light intensity due to the negligible recombination rate at the clean homojunction interface.

  13. The study of multilayers Fe/Hf and Ni/Hf by slow positron beam technique

    NASA Astrophysics Data System (ADS)

    Tashiro, Mutsumi; Nakajyo, Terunobu; Murashige, Yusuke; Koizumi, Tomoya; Kanazawa, Ikuzo; Komori, Fumio; Soe, We-Hyo; Yamamoto, Ryoichi; Ito, Yasuo

    1997-05-01

    The S-parameters versus the incident positron energy are measured in the Ni/Hf multilayer, thin Hf film, thin Fe film and the bilayer Fe/Hf. We have analyzed the change in vacancy-type defects in these multilayers and thin films with the deposition temperature in the MBE system.

  14. Comparison of high-intensity ultraviolet and NB-UVB on the maturation of melanocytes derived from hair follicle neural crest stem cells.

    PubMed

    Dong, Dake; Chen, Shujun; Zhang, Xiaoli; Jin, Cheng; Zheng, Yuan; Yang, Lijia

    2014-09-01

    Both high-intensity ultraviolet and narrowband ultraviolet B (NB-UVB) are important therapeutic options for vitiligo management, but high-intensity ultraviolet is more effective than NB-UVB. However, the underlying mechanisms have not been well investigated. Herein, we compare the effects of high-intensity ultraviolet and NB-UVB on the pigmentation of melanocytes derived from hair follicle-derived neural crest stem cells (HF-NCSCs) in vitro and study the underlying mechanisms. The HF-NCSCs were isolated from mouse whisker follicles. After radiation with high-intensity ultraviolet and NB-UVB, respectively, the cell viability by the CCK-8 assay showed gradual inhibitory effects in a dose-dependent manner, which has no apparent difference between the two modalities. The mRNA for melanogenesis factors such as tyrosinase and tyrp1 of the differentiated melanocytes increased significantly with high-intensity ultraviolet compared to the same dose of NB-UVB exposure. Furthermore, the expression of Mc1r was significantly increased by high-intensity ultraviolet in contrast to NB-UVB at the dosage of 0.5 J. By and large, these data suggest that high-intensity ultraviolet exhibited greater efficiency on the maturation of the melanocyte lineage differentiated from HF-NCSCs compared to NB-UVB with the same dose, which was probably due to the stronger stimulatory action of Mc1r. This may provide new insights into the different efficacies of high-intensity ultraviolet and NB-UVB in the treatment of vitiligo repigmentation.

  15. 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

  16. Origin of the Wunugetushan porphyry Cu-Mo deposit, Inner Mongolia, NE China: Constraints from geology, geochronology, geochemistry, and isotopic compositions

    NASA Astrophysics Data System (ADS)

    Zhang, Fang-Fang; Wang, Yin-Hong; Liu, Jia-Jun; Wang, Jian-Ping; Zhao, Chun-Bo; Song, Zhi-Wei

    2016-03-01

    The Wunugetushan porphyry Cu-Mo deposit is located in the southeastern margin of the Mongol-Okhotsk Orogenic Belt and in the northwestern segment of the Great Xing'an Range, NE China. The orebodies of this deposit are mainly hosted in the monzogranitic porphyry stock and in contact with the granitic porphyry dyke and biotite granite batholith. The SHRIMP zircon U-Pb dating of the granitic porphyry dyke yielded ages of 201.4 ± 3.1 Ma (2σ, MSWD = 1.5). These results indicate that the magmatism in the Wunugetushan area might have occurred at ca. 201 Ma in the early Jurassic, and that the mineralization age (ca. 181 Ma) of this deposit is later than the age of intrusive granitic porphyry in the area. Geochemically, the Wunugetushan granitoids belong to high-K calc-alkaline and shoshonitic series, enriched in K, Rb, Nd, and Pb, and depleted in Sr, Nb, Ti and P, with negative Eu anomalies. In situ Hf isotopic analyses of zircons using LA-MC-ICP-MS indicate that the εHf(t) values for zircons from a granitic porphyry sample vary from +2.4 to +11.8 and that the corresponding crustal model ages (TDMC) vary from 483 to 1088 Ma. The least-altered monzogranitic porphyry, granitic porphyry and biotite granite yielded relatively uniform εNd(t) values from -1.0 to +0.6 and low (87Sr/86Sr)i ratios ranging from 0.704387 to 0.708385. The geochemical and Sr-Nd-Hf isotopic data for the granitoids indicate that the source magma for these rocks could be derived from a juvenile lower crust. The δ34S values of sulfides show a narrow range (+0.76‰ to +3.20‰) similar to those of magmatic sulfur, further implying a lower crust origin. Based on the results of this study and the regional geodynamic evolution, it is proposed that the formation of the Wunugetushan deposit and associated granitoids should be linked to the southeastward subduction of the Mongol-Okhotsk oceanic plate beneath the Erguna Massif during the early Jurassic, and that the monzogranitic porphyry intrusions in

  17. Synthesis of superconducting Nb3Sn coatings on Nb substrates

    DOE PAGES

    Barzi, E.; Franz, S.; Reginato, F.; ...

    2015-12-01

    In the present work the electrochemical and thermal syntheses of superconductive Nb3Sn films are investigated. The Nb3Sn phase is obtained by electrodeposition of Sn layers and Cu intermediate layers onto Nb substrates followed by high temperature diffusion in inert atmosphere. Electrodeposition was performed from aqueous solutions at current densities in the 20 to 50 mA/cm2 range and at temperatures between 40 and 50°C. Subsequent thermal treatments were realized to obtain the Nb3Sn superconductive phase. Glow discharge optical emission spectrometry (GDOES) demonstrated that after thermal treatment interdiffusion of Nb and Sn occurred across a thickness of about 13 μm. Scanning Electronmore » Microscopy (SEM) allowed accurately measuring the thickness of the Nb3Sn phase, whose average for the various types of film samples was between 5.7 and 8.0 μm. X-ray diffraction (XRD) patterns confirmed the presence of a cubic Nb3Sn phase (A15 structure) having (210) preferred orientation. The maximum obtained Tc was 17.68 K and the Bc20 ranged between 22.5 T and 23.8 T. With the procedure described in the present paper, coating complex shapes cost-effectively becomes possible, which is typical of electrochemical techniques. Furthermore, this approach can be implemented in classical wire processes such as "Jelly Roll" or "Rod in Tube", or directly used for producing superconducting surfaces. In conclusion, the potential of this method for Superconducting Radiofrequency (SRF) structures is also outlined.« less

  18. Synthesis of superconducting Nb3Sn coatings on Nb substrates

    NASA Astrophysics Data System (ADS)

    Barzi, E.; Bestetti, M.; Reginato, F.; Turrioni, D.; Franz, S.

    2016-01-01

    In the present work the electrochemical and thermal syntheses of superconducting Nb3Sn films are investigated. The Nb3Sn phase is obtained by electrodeposition of Sn layers and Cu intermediate layers onto Nb substrates followed by high temperature diffusion in inert atmosphere. Electrodeposition was performed from aqueous solutions at current densities in the 20-50 mA cm-2 range and at temperatures between 40 °C and 50 °C. Subsequent thermal treatments were realized to obtain the Nb3Sn superconductive phase. Glow discharge optical emission spectrometry demonstrated that after thermal treatment interdiffusion of Nb and Sn occurred across a thickness of about 13 μm. Scanning electron microscopy allowed accurately measuring the thickness of the Nb3Sn phase, whose average for the various types of film samples was between 5.7 and 8.0 μm. X-ray diffraction patterns confirmed the presence of a cubic Nb3Sn phase (A15 structure) having (210) preferred orientation. The maximum obtained T c was 17.68 K and the B c20 ranged between 22.5 and 23.8 T. With the procedure described in the present paper, coating complex shapes cost-effectively becomes possible, which is typical of electrochemical techniques. Furthermore, this approach can be implemented in classical wire processes such as ‘jelly roll’ or ‘rod in tube’, or directly used for producing superconducting surfaces. The potential of this method for superconducting radiofrequency structures is also outlined.

  19. Josephson Coupling in Nb/SmB6/Nb Junctions

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaohang; Lee, Seunghun; Drisko, Jasper; Cumings, John; Greene, Richard; Takeuchi, Ichiro

    Josephson coupling of superconductors through a topological surface has attracted considerable attention because it may provide device applications of topological insulators with implications for Majorana fermions. However, the results of previous Josephson junction studies on topological insulators have not been fully understood due to complications arising from the conducting bulk and the non-pristine nature of the surfaces/interfaces of the topological insulator materials used. In this work, SmB6 thin films with a highly insulating bulk were adopted to minimize the influence of the bulk carriers while in-situ deposition of Nb film on SmB6 surface was used to ensure the interface quality. The bilayer structure was then patterned into Nb/SmB6/Nb lateral junctions by e-beam lithography and ion milling. The Nb electrodes in our junctions had a typical width of ~1 μm and the gap between the two Nb electrodes was varied from 50 nm to 200 nm. A critical current up to 40 μA has been observed in junctions with a gap around 50 nm at 2.0 K. In this talk, I will discuss the implication of our results to the desired Josephson coupling through topological surface states. This work was supported by NSF under Grant No. DMR-1410665 and conducted at CNAM and at the Maryland NanoCenter.

  20. Enhanced thermoelectric properties of n-type NbCoSn half-Heusler by improving phase purity

    DOE PAGES

    He, Ran; Huang, Lihong; Wang, Yumei; ...

    2016-06-01

    In this paper, we report the thermoelectric properties of NbCoSn-based n-type half-Heuslers (HHs) that were obtained through arc melting, ball milling, and hot pressing process. With 10% Sb substitution at the Sn site, we obtained enhanced n-type properties with a maximum power factor reaching ~35 μW cm-1 K-2 and figure of merit (ZT) value ~0.6 in NbCoSn0.9Sb0.1. The ZT is doubled compared to the previous report. In addition, the specific power cost ($ W-1) is decreased by ~68% comparing to HfNiSn-based n-type HH because of the elimination of Hf.

  1. Enhanced thermoelectric properties of n-type NbCoSn half-Heusler by improving phase purity

    NASA Astrophysics Data System (ADS)

    He, Ran; Huang, Lihong; Wang, Yumei; Samsonidze, Georgy; Kozinsky, Boris; Zhang, Qinyong; Ren, Zhifeng

    2016-10-01

    Here we report the thermoelectric properties of NbCoSn-based n-type half-Heuslers (HHs) that were obtained through arc melting, ball milling, and hot pressing process. With 10% Sb substitution at the Sn site, we obtained enhanced n-type properties with a maximum power factor reaching ˜35 μW cm-1 K-2 and figure of merit (ZT) value ˜0.6 in NbCoSn0.9Sb0.1. The ZT is doubled compared to the previous report. In addition, the specific power cost ( W-1) is decreased by ˜68% comparing to HfNiSn-based n-type HH because of the elimination of Hf.

  2. Synthesis and Characterization of Ti-6Al-6Mo Prepared by Arc Melting Process

    NASA Astrophysics Data System (ADS)

    Senopati, G.; Putrayasa, I. N. G.; Sutowo, A. C.

    2017-05-01

    The Ti-6Al-6Mo alloy was arc-melted eight times from pure Ti, Al, and Mo. The Ti-6Al-6Mo were analyzed by using an optical microscope, SEM-EDS, XRD and Vickers Hardness Tester. Corrosion test was performed by using Hank’s solution at 37 °C and pH 7.4. The optical micrograph showed a similar structure of this alloy. The microstructure of Ti 6Al-6Mo was basketweave with α lath. The map of Ti, Al and Mo showed a similar distribution of this alloy. The XRD analysis showed that the α and β phase occurred. The Vickers hardness value of Ti6Al6Nb was 398.7 HV, higher than pure Ti. The corrosion rate of as cast Ti-6Al-6Mo was 0.0016 mmpy (mm/year). The result showed that this alloy can potentially be used for biomedical application.

  3. NbFeSb based p-type half-Heusler for power generation applications

    NASA Astrophysics Data System (ADS)

    Joshi, Giri; He, Ran; Engber, Michael; Samsonidze, Georgy; Pantha, Tej; Dahal, Ekraj; Dahal, Keshab; Yang, Jian; Lan, Yucheng; Kozinsky, Boris; Ren, Zhifeng

    2015-03-01

    We report a peak dimensionless figure-of-merit (ZT) of ~1 at 700 oC in nanostructured p-type Nb0.6Ti0.4FeSb0.95Sn0.05composition. Even though the power factor of the Nb0.6Ti0.4FeSb0.95Sn0.05 composition is improved by 25% in comparison to the previously reported p-type Hf0.44Zr0.44Ti0.12CoSb0.8Sn0.2, the ZT value is not increased due to a higher thermal conductivity. However, the higher power factor of the Nb0.6Ti0.4FeSb0.95Sn0.05 composition led to a 15% increase in power output of a thermoelectric device in comparison to a device made from the previous best material Hf0.44Zr0.44Ti0.12CoSb0.8Sn0.2. The n-type material used to make the unicouple device is the best reported nanostructured Hf0.25Zr0.75NiSn0.99Sb0.01 composition with the lowest hafnium (Hf) content. Both the p- and n-type nanostructured samples are prepared by ball milling the arc melted ingot and hot pressing the finely ground powders. Moreover, the raw material cost of the Nb0.6Ti0.4FeSb0.95Sn0.05 composition is more than six times lower compared to the cost of the previous best p-type Hf0.44Zr0.44Ti0.12CoSb0.8Sn0.2. This cost reduction is crucial for these materials to be used in large-scale quantities for vehicle and industrial waste heat recovery applications. DOE:DE-EE0004840.

  4. NbTi and Nb3Sn Superconducting Undulator Designs

    SciTech Connect

    Prestemon, S.; Dietderich, D.; Marks, S.; Schlueter, R.

    2004-05-12

    Superconducting undulator performance is a function of a number of accelerator -specific parameters. Two very important parameters are the allowable vacuum gap and beam heating, e.g. RF and synchrotron radiation. We evaluate theoretical performance for planar superconducting undulator designs cooled with existing cryocooler technology as a function of gap, beam-heating, and cryocooler performance, for two existing low-temperature superconductors, NbTi and Nb3Sn. Optimal superconducting undulator performance depends critically on both magnetics design and operating conditions. Regimes where a cold-bore vacuum chamber cryogenics design is preferable and those where an intermediate-temperature design may yield superior performance are quantified.

  5. Structural Instability and Superconductivity of the Defect Cubic Structure δ-MoC1-x

    NASA Astrophysics Data System (ADS)

    Athanasiou, N. S.

    In this work we report the formation, characterization and superconducting transition temperatures (Tc) of homogeneous and single-phase ternary crystalline molybdenum-carbon based compounds. The required samples were prepared by conventional solidification (arc-melting). The stabilization of the cubic δ-MoC1-x phase was successfully done by substituting Mo or C by small additions (about 1-5 at.%) of B, Ti, Zr, Ru, Hf, W, Re or Os. All substitutions of B or transition metals to pure δ-MoC1-x phase result in a decrease of the transition temperature. The transition temperature of the single-cubic δ-MoC1-x phase (prepared by different techniques for comparison reasons) increases from 10.15 K to 14.7 K with increasing C/Mo ratio in the homogeneity range of 0.65 ≤ C/Mo ≤ 0.75.

  6. Environmentally Assisted Cracking of Commercial Ni-Cr-Mo Alloys - A Review

    SciTech Connect

    Rebak, R B

    2004-11-09

    Nickel-Chromium-Molybdenum alloys (Ni-Cr-Mo) are highly resistant to general corrosion, localized corrosion and environmentally assisted cracking (EAC). Cr acts as a beneficial element under oxidizing acidic conditions and Mo under reducing conditions. All three elements (Ni, Cr and Mo) act synergistically to provide resistance to EAC in environments such as hot concentrated chloride solutions. Ni-Cr-Mo alloys may suffer EAC in environments such as hot caustic solutions, hot wet hydrofluoric acid (HF) solutions and in super critical water oxidation (SCWO) applications. Not all the Ni-Cr-Mo alloys have the same susceptibility to cracking in the mentioned environments. Most of the available data regarding EAC is for the oldest Ni-Cr-Mo alloys such as N10276 and N06625.

  7. NbOsSi and TaOsSi - Two new superconducting ternary osmium silicides

    NASA Astrophysics Data System (ADS)

    Benndorf, Christopher; Heletta, Lukas; Heymann, Gunter; Huppertz, Hubert; Eckert, Hellmut; Pöttgen, Rainer

    2017-06-01

    The new equiatomic silicides NbOsSi and TaOsSi as well as ZrOsSi, TIrSi (T = Zr, Hf, Nb, Ta) and TPtSi (T = Nb, Ta) were prepared from the elements by arc-melting. These silicides crystallize with the orthorhombic TiNiSi type structure, space group Pnma. Irregularly shaped crystals of ZrOsSi, NbOsSi, TaOsSi, ZrIrSi and HfIrSi were separated from the annealed samples and investigated by single-crystal X-ray diffraction (a = 640.46(7), b = 404.07(5), c = 743.66(8) pm, wR2 = 0.0285, 390 F2 values, 20 variables for ZrOsSi; a = 629.78(6), b = 388.72(4), c = 727.48(7) pm, wR2 = 0.0350, 397 F2 values, 20 variables for NbOsSi, a = 626.80(6), b = 389.36(4), c = 726.22(7) pm, wR2 = 0.0501, 385 F2 values, 20 variables for TaOsSi, a = 653.48(8), b = 395.35(4), c = 739.19(8) pm, wR2 = 0.0427, 413 F2 values, 20 variables for ZrIrSi and a = 646.34(12), b = 393.57(7), c = 736.8(14) pm, wR2 = 0.0582, 371 F2 values, 20 variables for HfIrSi). The striking structural motifs in the new osmium compounds are three-dimensional [OsSi] networks (Os-Si: 240-251 pm) in which the osmium atoms have strongly distorted tetrahedral silicon coordination. High-pressure/high-temperature experiments (9.5 GPa/1520 K) on TaOsSi gave no hint for a structural phase transition. Temperature dependent measurements of the magnetic susceptibility and the electrical conductivity of NbOsSi and TaOsSi showed superconductivity below TC = 3.5 and 5.5 K, respectively. 29Si solid state MAS NMR investigations of the prepared silicides approved the structural models and showed a correlation between the observed 29Si resonance shifts and the electronegativity of the involved refractory metal.

  8. EXAFS determination of Hf localization in HDDR Nd Fe B Hf alloys

    NASA Astrophysics Data System (ADS)

    Torres, C. E. Rodríguez; Fernández van Raap, M. B.; Sánchez, F. H.; Pasquevich, A. F.

    2005-05-01

    The local structure around Hf in Nd 15.78Fe 76.3-xHf xB 7.8 ( x=0.1 and 0.2) submitted to conventional and solid hydrogenation-disproportionation-desorption-recombination (HDDR) sequence was studied by extended X-ray absorption fine structure (EXAFS) in order to understand the relation between the presence of Hf and magnetic anisotropy found only in solid-HDDR samples. EXAFS results show that Hf is not in the Nd 2Fe 14B structure but incorporated into a local atomic arrangement (HfB ClNa-type) which is the same for as-cast, solid and conventional HDDR samples. It is concluded that the magnetic anisotropy induced by Hf addition to NdFeB alloys must be related to microstructural features.

  9. Statistical gamma transitions in sup 174 Hf

    SciTech Connect

    Farris, L.P.; Cizewski, J.A.; Brinkman, M.J.; Henry, R.G.; Lee, C.S. ); Khoo, T.L.; Janssens, R.V.F.; Moore, E.F.; Carpenter, M.P.; Ahmad, I.; Lauritsen, T. ); Kolata, J.J.; Beard, K.B.; Ye, D.; Garg, U. ); Kaplan, M.S.; Saladin, J.X.; Winchell, D. (Pittsburgh Univ., PA (Un

    1992-01-01

    Statistical spectrum extracted from the {sup 172}Yb({alpha},2n){sup 174}Hf reaction was fit with Monte Carlo simulations using a modified GDR E1 strength function and several formulations of the level density.

  10. Statistical gamma transitions in {sup 174}Hf

    SciTech Connect

    Farris, L.P.; Cizewski, J.A.; Brinkman, M.J.; Henry, R.G.; Lee, C.S.; Khoo, T.L.; Janssens, R.V.F.; Moore, E.F.; Carpenter, M.P.; Ahmad, I.; Lauritsen, T.; Kolata, J.J.; Beard, K.B.; Ye, D.; Garg, U.; Kaplan, M.S.; Saladin, J.X.; Winchell, D.

    1992-08-01

    Statistical spectrum extracted from the {sup 172}Yb({alpha},2n){sup 174}Hf reaction was fit with Monte Carlo simulations using a modified GDR E1 strength function and several formulations of the level density.

  11. On the road to HF mitigation

    SciTech Connect

    Van Zele, R.L.; Diener, R. )

    1990-07-01

    Two components were investigated as a part of tests run by Industry Cooperative HF Mitigation/Assessment Program (ICHMAP). This paper discusses how the test program included a vapor barrier component and an ambient impact assessment component.

  12. Properties of Superconducting Mo, Mo2n and Trilayer Mo2n-Mo-Mo2n Thin Films

    NASA Technical Reports Server (NTRS)

    Barrentine, E. M.; Stevenson, T. R.; Brown, A. D.; Lowitz, A. E.; Noroozian, O.; U-Yen, K.; Eshan, N.; Hsieh, W. T.; Moseley, S. H.; Wollack, E. J.

    2014-01-01

    We present measurements of the properties of thin film superconducting Mo, Mo2N and Mo2N/Mo/Mo2N trilayers of interest for microwave kinetic inductance detector (MKID) applications. Using microwave resonator devices, we investigate the transition temperature, energy gaps, kinetic inductance, and internal quality factors of these materials. We present an Usadel-based interpretation of the trilayer transition temperature as a function of trilayer thicknesses, and a 2-gap interpretation to understand the change in kinetic inductance and internal resonance quality factor (Q) as a function of temperature.

  13. Submicron Nb-Al/Al oxide-Nb tunnel junctions sandwiched between Al films

    NASA Astrophysics Data System (ADS)

    Maier, D.; Rothermel, H.; Gundlach, K. H.; Zimmermann, R.

    1996-02-01

    A process has been developed to embed Nb-Al/Al oxide-Nb junctions in planar structures of Al films. The submicron junctions are defined by photoresist lines. Motivation for this effort is a possible application of Nb junctions confined between normal conducting Al films as mixers above 700 GHz where Nb films loose their superconductive properties and tuning circuits made out of Nb therefore exhibit losses. First mixer results at 816 GHz are presented.

  14. Refiners discuss HF alkylation process and issues

    SciTech Connect

    Not Available

    1992-04-06

    Safety and oxygenate operations made HF alkylation a hot topic of discussion at the most recent National Petroleum Refiners Association annual question and answer session on refining and petrochemical technology. This paper provides answers to a variety of questions regarding the mechanical, process, and safety aspects of the HF alkylation process. Among the issues discussed were mitigation techniques, removal of oxygenates from alkylation unit feed, and amylene alkylation.

  15. Late Neoproterozoic magmatism in South Qinling, Central China: Geochemistry, zircon U-Pb-Lu-Hf isotopes and tectonic implications

    NASA Astrophysics Data System (ADS)

    Wang, Ruirui; Xu, Zhiqin; Santosh, M.; Yao, Yuan; Gao, Li'e.; Liu, Chunhua

    2016-06-01

    The Neoproterozoic tectonic evolution of the northern margin of the Yangtze Block in South China remains debated. In this study, we present results from LA-ICP-MS zircon U-Pb geochronology on a suite of intermediate-felsic rocks in South Qinling, Central China which show a mean age of ca. 630 Ma. The zircon εHf(t) values of these rocks mostly range from + 0.44 to + 14.78. Geochemically, the granites and syenite show high total alkali contents, with enrichment in LREE, LILE (Rb, Ba, and K), and HFSE (Th, U, Nb, Ta, Zr, and Hf), and depletion in Sr, P, and Ti, similar to the features of A-type granites. The meta-diorite shows high Na2O, with depletion in Eu, Ti, and LILE (Sr, Rb, Ba, and K), and enrichment in HFSE (Th, U, Nb, Ta, Zr, and Hf). The geochemical features are consistent with formation of the intermediate-felsic suite through fractionation from underplated basaltic magma that originated from sub-continental lithospheric mantle metasomatized by asthenosphere-derived oceanic-island-basalt-like (OIB-like) melts, coupled with minor crustal contamination. We correlate the ca. 630 Ma magmatism with a back-arc rift setting that probably developed in relation to slab tearing during continued slab rollback.

  16. On the road to HF mitigation

    SciTech Connect

    VanZele, R.L.; Diener, R. )

    1990-06-01

    The hazards of hydrogen fluoride (HF) have long been recognized and industry performance reflects sound operating practices. However, full-scale industry-sponsored HF release test conducted at the U.S. Department of Energy (DOE) test site in 1986 caused concern in view of HF's toxicity. Ambient impacts were greater than anticipated. And diking, a primary mitigation technique, proved ineffective for releases of pressurized superheated HF. In partial response to these new technical data, an ad-hoc three-component Industry Cooperative Hydrogen Fluoride Mitigation Assessment Program (ICHMAP) was begun in late 1987 to study and test techniques for mitigating accidental releases of HF and alkylation unit acid (AUA) and to enhance capabilities to estimate ambient impacts from such releases. AUA is a mixture of HF and hydrocarbons. The program's mitigation components have recently been completed while work on the impact assessment component is nearing completion. This article describes the program and summarizes the objective, scope of work, structure, and conclusions from the program's two mitigation components. In addition, the objectives and scope of work of the impact assessment components are described.

  17. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    PubMed Central

    Oshchapovsky, Igor; Pavlyuk, Volodymyr; Fässler, Thomas F.; Hlukhyy, Viktor

    2010-01-01

    The title compound, terbium hexa­niobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an inter­growth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodeca­hedron) 6/mmm; Nb (distorted icosa­hedron) 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15) 6mm and m2; Sn (distorted icosa­hedron) m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels. PMID:21589205

  18. The Iceland plume in space and time: a Sr-Nd-Pb-Hf study of the North Atlantic rifted margin

    NASA Astrophysics Data System (ADS)

    Kempton, P. D.; Fitton, J. G.; Saunders, A. D.; Nowell, G. M.; Taylor, R. N.; Hardarson, B. S.; Pearson, G.

    2000-04-01

    mantle, consists of 'enriched' streaks or blobs dispersed in a more depleted matrix. A distinguishing feature of both the enriched and depleted components is high Nb/Y for a given Zr/Y (i.e. positive ΔNb), but the enriched component has higher Sr and Pb isotope ratios, combined with lower ɛNd and ɛHf. This heterogeneous core is surrounded by a sheath of depleted material, similar to the depleted component of the Iceland plume in its ɛNd and ɛHf, but with lower 87Sr/ 86Sr, 208Pb/ 204Pb and negative ΔNb; this material was probably entrained from near the 670 km discontinuity when the plume stalled at the boundary between the upper and lower mantle. The plume sheath displaced more normal MORB asthenosphere (distinguished by its lower ɛHf for a given ɛNd or Zr/Nb ratio), which existed in the North Atlantic prior to plume impact. Preliminary data on MORBs from near the Azores plume suggest that much of the North Atlantic may be 'polluted' not only by enriched plume material but also by depleted material similar to the Iceland plume sheath. If this hypothesis is correct, it may provide a general explanation for some of the compositional diversity and variations in inferred depth of melting [Klein and Langmuir, J. Geophys. Res. 92 (1987) 8089-8115] along the MAR in the North Atlantic.

  19. Materials Data on Hf3Nb2Ga3 (SG:193) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-10

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

  20. Impact of titanium addition on film characteristics of HfO2 gate dielectrics deposited by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Triyoso, D. H.; Hegde, R. I.; Zollner, S.; Ramon, M. E.; Kalpat, S.; Gregory, R.; Wang, X.-D.; Jiang, J.; Raymond, M.; Rai, R.; Werho, D.; Roan, D.; White, B. E.; Tobin, P. J.

    2005-09-01

    The impact of 8-to 45-at. % Ti on physical and electrical characteristics of atomic-layer-deposited and annealed hafnium dioxide was studied using vacuum-ultraviolet spectroscopic ellipsometry, secondary ion mass spectroscopy, transmission electron microscopy, atomic force microscopy, x-ray diffraction, Rutherford backscattering spectroscopy, x-ray photoelectron spectroscopy, and x-ray reflectometry. The role of Ti addition on the electrical performance is investigated using molybdenum (Mo)-gated capacitors. The film density decreases with increasing Ti addition. Ti addition stabilizes the amorphous phase of HfO2, resulting in amorphous films as deposited. After a high-temperature annealing, the films transition from an amorphous to a polycrystalline phase. Orthorhombic Hf-Ti-O peaks are detected in polycrystalline films containing 33-at. % or higher Ti content. As Ti content is decreased, monoclinic HfO2 becomes the predominant microstructure. No TiSi is formed at the dielectric/Si interface, indicating films with good thermal stability. The band gap of Hf-Ti-O was found to be lower than that of HfO2. Well-behaved capacitance-voltage and leakage current density-voltage characteristics were obtained for Hf-Ti-O. However, an increased leakage current density was observed with Ti addition. The data from capacitance-voltage stressing indicate a smaller flatband voltage (Vfb) shift in the HfO2 films with low Ti content when compared with the HfO2 films. This indicates less charge trapping with a small amount of Ti addition.

  1. HF Accelerated Electron Fluxes, Spectra, and Ionization

    NASA Astrophysics Data System (ADS)

    Carlson, Herbert C.; Jensen, Joseph B.

    2015-10-01

    Wave particle interactions, an essential aspect of laboratory, terrestrial, and astrophysical plasmas, have been studied for decades by transmitting high power HF radio waves into Earth's weakly ionized space plasma, to use it as a laboratory without walls. Application to HF electron acceleration remains an active area of research (Gurevich in Usp Fizicheskikh Nauk 177(11):1145-1177, 2007) today. HF electron acceleration studies began when plasma line observations proved (Carlson et al. in J Atmos Terr Phys 44:1089-1100, 1982) that high power HF radio wave-excited processes accelerated electrons not to ~eV, but instead to -100 times thermal energy (10 s of eV), as a consequence of inelastic collision effects on electron transport. Gurevich et al (J Atmos Terr Phys 47:1057-1070, 1985) quantified the theory of this transport effect. Merging experiment with theory in plasma physics and aeronomy, enabled prediction (Carlson in Adv Space Res 13:1015-1024, 1993) of creating artificial ionospheres once ~GW HF effective radiated power could be achieved. Eventual confirmation of this prediction (Pedersen et al. in Geophys Res Lett 36:L18107, 2009; Pedersen et al. in Geophys Res Lett 37:L02106, 2010; Blagoveshchenskaya et al. in Ann Geophys 27:131-145, 2009) sparked renewed interest in optical inversion to estimate electron spectra in terrestrial (Hysell et al. in J Geophys Res Space Phys 119:2038-2045, 2014) and planetary (Simon et al. in Ann Geophys 29:187-195, 2011) atmospheres. Here we present our unpublished optical data, which combined with our modeling, lead to conclusions that should meaningfully improve future estimates of the spectrum of HF accelerated electron fluxes. Photometric imaging data can significantly improve detection of emissions near ionization threshold, and confirm depth of penetration of accelerated electrons many km below the excitation altitude. Comparing observed to modeled emission altitude shows future experiments need electron density profiles

  2. Rich structural phase diagram and thermoelectric properties of layered tellurides Mo1-xNbxTe2

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

    MoTe2 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 MoTe2 and clarified a structural phase diagram for Mo1-xNbxTe2 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.

  3. Determination of the rate of HF hydration and the effects of HF on moisture condensation

    SciTech Connect

    McCulla, W H

    1982-04-30

    There were four basic questions addressed in this report that relate to the HF interaction in the environment. As to whether HF hydrates in the vapor phase and what the rate of that hydration is, there seems ample evidence that HF hydrates readily in the vapor phase and the rate of that hydration is very fast, i.e., dHF/dt greater than or equal to 25 torr sec/sup -1/. Concerning under what conditions condensation of the hydrate will occur and whether a third body is required for condensation, it was found that HF does effect the dew point or condensation of water and data was presented indicating the extent of that effect. It was also determined that condensation will occur without a third body present. Thus, in attempting to model an HF release for the Safety Analysis Report the hydration of HF and the subsequent heat released may be treated as occurring instantaneously; but the ultimate disposition of the HF will be strongly dependent upon the environmental conditions at the time of the release.

  4. Van der Waals Epitaxial Growth of Atomic Layered HfS2 Crystals for Ultrasensitive Near-Infrared Phototransistors.

    PubMed

    Fu, Lei; Wang, Feng; Wu, Bin; Wu, Nian; Huang, Wei; Wang, Hanlin; Jin, Chuanhong; Zhuang, Lin; He, Jun; Fu, Lei; Liu, Yunqi

    2017-08-01

    As a member of the group IVB transition metal dichalcogenides (TMDs) family, hafnium disulfide (HfS2 ) is recently predicted to exhibit higher carrier mobility and higher tunneling current density than group VIB (Mo and W) TMDs. However, the synthesis of high-quality HfS2 crystals, sparsely reported, has greatly hindered the development of this new field. Here, a facile strategy for controlled synthesis of high-quality atomic layered HfS2 crystals by van der Waals epitaxy is reported. Density functional theory calculations are applied to elucidate the systematic epitaxial growth process of the S-edge and Hf-edge. Impressively, the HfS2 back-gate field-effect transistors display a competitive mobility of 7.6 cm(2) V(-1) s(-1) and an ultrahigh on/off ratio exceeding 10(8) . Meanwhile, ultrasensitive near-infrared phototransistors based on the HfS2 crystals (indirect bandgap ≈1.45 eV) exhibit an ultrahigh responsivity exceeding 3.08 × 10(5) A W(-1) , which is 10(9) -fold higher than 9 × 10(-5) A W(-1) obtained from the multilayer MoS2 in near-infrared photodetection. Moreover, an ultrahigh photogain exceeding 4.72 × 10(5) and an ultrahigh detectivity exceeding 4.01 × 10(12) Jones, superior to the vast majority of the reported 2D-materials-based phototransistors, imply a great promise in TMD-based 2D electronic and optoelectronic applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Materials Analysis of CED Nb Films Being Coated on Bulk Nb Single Cell SRF Cavities

    SciTech Connect

    Zhao, Xin; Reece, Charles; Palczewski, Ari; Ciovati, Gianluigi; Krishnan, Mahadevan; James, Colt; Irfan, Irfan

    2013-09-01

    This study is an on-going research on depositing a Nb film on the internal wall of bulk Nb single cell SRF cavities, via a cathodic arc Nb plasma ions source, an coaxial energetic condensation (CED) facility at AASC company. The motivation is to firstly create a homoepitaxy-like Nb/Nb film in a scale of a ~1.5GHz RF single cell cavity. Next, through SRF measurement and materials analysis, it might reveal the baseline properties of the CED-type homoepitaxy Nb films. Literally, a top-surface layer of Nb films which sustains SRF function, always grows up in homo-epitaxy mode, on top of a Nb nucleation layer. Homo-epitaxy growth of Nb must be the final stage (a crystal thickening process) of any coatings of Nb film on alternative cavity structure materials. Such knowledge of Nb-Nb homo-epitaxy is useful to create future realistic SRF cavity film coatings, such as hetero-epitaxy Nb/Cu Films, or template-layer-mitigated Nb films. One large-grain, and three fine grain bulk Nb cavities were coated. They went through cryogenic RF measurement. Preliminary results show that the Q0 of a Nb film could be as same as the pre-coated bulk Nb surface (which received a chemically-buffered polishing plus a light electro-polishing); but quality factor of two tested cavities dropped quickly. We are investigating if the severe Q-slope is caused by hydrogen incorporation before deposition, or is determined by some structural defects during Nb film growth.

  6. Improved techniques for monitoring the HF spectrum

    NASA Astrophysics Data System (ADS)

    Giesbrecht, James E.; Clarke, Russell; Abbott, Derek

    2004-03-01

    A critical review of contemporary papers on modulation recognition, signal separation, and Single Station Location (SSL) is described in the context of High-Frequency (HF) radio-communications. High-frequency communications is undergoing resurgence despite advances in long-range satellite communication systems. Defense agencies are using the HF spectrum for backup communications as well as for spectrum surveillance applications. Spectrum management organizations are monitoring the HF spectrum to control and enforce licensing. This type of activity usually requires a system that is able to determine the location of a source of transmissions, separate valid signals from interferers and noise, and characterize signals-of-interest (SOI). The immediate aim is to show that commercial-off-the-shelf (COTS) equipment can be used to locate HF transmission sources, enhance SOIs and reject interference, and recognize signal types. The described work on single-station-location (SSL), signal separation, and modulation recognition is contributing to these goals. This paper describes the overall objectives and some of the disadvantages and benefits of various schemes for single-station-location (SSL), signal separation, and modulation recognition. It also proposes new approaches that may relieve shortcomings of existing methods -- including selection of benchmarks or modulations for various transmission scenarios and propagation modes, and use of multiple digital receivers or compression techniques to improve modulation recognition, signal separation, and location of HF emitters.

  7. The ADMX-HF (High Frequency) Experiment

    NASA Astrophysics Data System (ADS)

    Lehnert, K. W.

    2013-04-01

    For many years, the Axion Dark Matter eXperiment (ADMX) has searched for dark-matter axions by their resonant conversion to photons in a high-Q microwave cavity embedded in a strong magnetic field; to date focusing on the ˜1 GHz range, or ma˜ few micro-eV. A second platform, ADMX-HF is now being constructed at Yale University which will focus on technology development and a first look at data in the ˜10 GHz range. Consisting of a 9T superconducting magnet (40 cm long x 14 cm diameter), a dilution refrigerator and a quantum-limited receiver based on Josephson Parametric Amplifiers (JPA) ADMX-HF is projected to achieve sensitivity within the axion model band, despite its smaller volume than ADMX. ADMX-HF is a collaboration of Yale, JILA/Colorado, UC Berkeley and LLNL, and by agreement will create a unified data set with ADMX.

  8. HF Radio Wave Production of Artificial Ionospheres

    NASA Astrophysics Data System (ADS)

    Carlson, Herbert

    In 1993 it was predicted that artificial ionospheres would be produced by high power HF radio waves, once HF transmitters approached a GWatt ERP. When that threshold was very recently achieved, such production was indeed detected and published at two high latitude high power HF facilities. Here we review: the first-principles logic behind that prediction, which aspects of such production are critically dependent on magnetic latitude, and which aspects of such production depend only on physical parameters independent of latitude. These distinctions follow directly from decomposition of the problem of ionization production into its components of: radio-wave propagation, wave-particle interactions, electron transport, and quantitative elastic/inelastic cross-sections. We outline this analysis to show that, within the context of early observations, the production of ionization is inevitable, and only a question of competing instability thresholds, and scale of ionization production. This illustrates complimentary aeronomy and plasma physics to advance understanding of both.

  9. Adaptive tracking of narrowband HF channel response

    NASA Astrophysics Data System (ADS)

    Arikan, F.; Arikan, O.

    2003-12-01

    Estimation of channel impulse response constitutes a first step in computation of scattering function, channel equalization, elimination of multipath, and optimum detection and identification of transmitted signals through the HF channel. Due to spatial and temporal variations, HF channel impulse response has to be estimated adaptively. Based on developed state-space and measurement models, an adaptive Kalman filter is proposed to track the HF channel variation in time. Robust methods of initialization and adaptively adjusting the noise covariance in the system dynamics are proposed. In simulated examples under good, moderate and poor ionospheric conditions, it is observed that the adaptive Kalman filter based channel estimator provides reliable channel estimates and can track the variation of the channel in time with high accuracy.

  10. Antitumor activities of a new indolocarbazole substance, NB-506, and establishment of NB-506-resistant cell lines, SBC-3/NB.

    PubMed

    Kanzawa, F; Nishio, K; Kubota, N; Saijo, N

    1995-07-01

    The novel anticancer glucosyl derivative of indolo-carbazole (NB-506), an inhibitor of DNA topoisomerase I, exhibited strong in vitro cytotoxicity against various human cancer cell lines. In order to elucidate its cytotoxic mechanisms, we established nine NB-506-resistant sublines with different resistance ratios from human small cell lung cancer cells (SBC-3/P) by stepwise and brief exposure (24 h) to NB-506. Among them, SBC-3/NB#9 was 454 times more resistant to NB-506 than the parent cell line. The SBC-3/NB#9 cells showed cross-resistance only to topoisomerase I inhibitors, such as 11,7-ethyl-10-[4-(1-piperidino)-1-piperidino] carbonyloxycamptothecia and 7-ethyl-10-hydroxy-camptothecin, and not to other anticancer drugs, such as vincristine, vinblastine, Adriamycin, etoposide, and teniposide. These results indicate that the difference on the effect of topoisomerase I was considered to be related to a resistance mechanism. The topoisomerase I activities of nuclear extracts eluted from SBC-3/NB#9 cells was only one-tenth of the parent cell activity. A Western blotting study indicated that this lower activity was due to a lower amount of DNA topoisomerase I. Furthermore, we found correlations between topoisomerase I activity and sensitivity to NB-506 in sublines with different degrees of resistance. Accumulation of 3H-labeled NB-506 by SBC-3/NB#9 cells was only one-fifth of that by the parent cells, whereas intracellular accumulation of 3H-labeled camptothecin by both cell lines did not differ. The reduction of accumulation was specific to NB-506, and this result may explain why the resistance ratio for NB-506 was higher than those for 11,7-ethyl-10-[4-(1-piperidino)-1-piperidino] carbonyloxycamptothecin and 7-ethyl-10-hydroxy-camptothecin.

  11. Al-La-Nb (068)

    NASA Astrophysics Data System (ADS)

    Carow-Watamura, U.; Louzguine, D. V.; Takeuchi, A.

    This document is part of Part 1 http://dx.doi.org/10.1007/97.etType="URL"/> 'Systems from Ag-Al-Ca to Au-Pd-Si' of Subvolume B 'Physical Properties of Ternary Amorphous Alloys' of Volume 37 'Phase Diagrams and Physical Properties of Nonequilibrium Alloys' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains the Chapter 'Al-La-Nb (068)' with the content:

  12. General concepts of modern HF communications

    NASA Astrophysics Data System (ADS)

    Aarons, Jules

    Both conceptual and hardware advancements have led to substantial systems developments in military HF communications; the former encompass coding and error correction techniques for security, in order to minimize propagation and interference, while the latter prominently include digital equipment permitting the selection of a frequency for a particular path and propagation mode, as well as modulation selection. Propagation-related advancements involve better statistical models as well as advancements in short-term forecasting methods responsive to changes in solar-geophysical parameters. Adaptive HF systems have been developed for meteor-scatter radio communications.

  13. Removal of uranium from aqueous HF solutions

    DOEpatents

    Pulley, Howard; Seltzer, Steven F.

    1980-01-01

    This invention is a simple and effective method for removing uranium from aqueous HF solutions containing trace quantities of the same. The method comprises contacting the solution with particulate calcium fluoride to form uranium-bearing particulates, permitting the particulates to settle, and separting the solution from the settled particulates. The CaF.sub.2 is selected to have a nitrogen surface area in a selected range and is employed in an amount providing a calcium fluoride/uranium weight ratio in a selected range. As applied to dilute HF solutions containing 120 ppm uranium, the method removes at least 92% of the uranium, without introducing contaminants to the product solution.

  14. TEC enhancements during HF ionospheric heating experiments

    NASA Astrophysics Data System (ADS)

    Fallen, C. T.; Watkins, B. J.; Secan, J. A.

    2009-12-01

    Experimental observations at the HAARP facility near Gakona, Alaska have shown TEC enhancements in association with powerful O-mode HF transmissions. Typical TEC enhancements are 10-20% of a TEC unit. A numerical ionospheric model has been used to simulate these events. HF energy is absorbed by the ionospheric electrons in a narrow range of altitudes below the F-region peak. Subsequent increases in electron temperature and ambipolar diffusion along the geomagnetic field act to redistribute existing ionization to higher altitudes where chemical recombination rates are lower. As a result the model shows TEC increases of about 10-20% of a TEC unit, similar to observations.

  15. Effect of time-dependent 3-D electron density gradients on high angle of incidence HF radiowave propagation

    NASA Astrophysics Data System (ADS)

    Zawdie, K. A.; Drob, D. P.; Huba, J. D.; Coker, C.

    2016-07-01

    One of the challenges for the utilization of HF radiowaves in practical applications is to understand how the signals propagate in time- and range-dependent multipath environments. For typical quiescent ionospheric conditions it is often reasonably straightforward to interpret received HF signals. For disturbed ionospheric conditions, however, such as in the presence of large tilts, irregularities, and medium-scale traveling ionospheric disturbances (MSTIDs), data interpretation and utilization often becomes challenging. This paper presents a theoretical HF propagation modeling study that exploits the capabilities of a first principles, mesoscale resolution ionosphere code, SAMI3 (Sami3 is Another Model of the Ionosphere) and a new implementation of the 3-D ray trace equations, MoJo-15 (Modernized Jones Code) in order to examine the relationship between various HF propagation observables and MSTID characteristics. This paper demonstrates the implications of MSTIDS on high angle of incidence HF propagation during typical low-latitude, postsunset ionospheric conditions and examines the spatiotemporal evolution of multiple propagation paths that may connect a given source and receiver.

  16. Oxidation and interdiffusion behavior of a germanium-modified silicide coating on an Nb-Si-based alloy

    NASA Astrophysics Data System (ADS)

    Li, Jin-long; Wang, Wan; Zhou, Chun-gen

    2017-03-01

    To investigate the interdiffusion behavior of Ge-modified silicide coatings on an Nb-Si-based alloy substrate, the coating was oxidized at 1250°C for 5, 10, 20, 50, or 100 h. The interfacial diffusion between the (Nb,X)(Si,Ge)2 (X = Ti, Cr, Hf) coating and the Nb-Si based alloy was also examined. The transitional layer is composed of (Ti,Nb)5(Si,Ge)4 and a small amount of (Nb,X)5(Si,Ge)3. With increasing oxidation time, the thickness of the transitional layer increases because of the diffusion of Si from the outer layer to the substrate, which obeys a parabolic rate law. The parabolic growth rate constant of the transitional layer under oxidation conditions is 2.018 μm·h-1/2. Moreover, the interdiffusion coefficients of Si in the transitional layer were determined from the interdiffusion fluxes calculated directly from experimental concentration profiles.

  17. Low Temperature Silicon Surface Cleaning by HF Etching/Ultraviolet Ozone Cleaning (HF/UVOC) Method (I)—Optimization of the HF Treatment—

    NASA Astrophysics Data System (ADS)

    Suemitsu, Maki; Kaneko, Tetsuya; Miyamoto, Nobuo

    1989-12-01

    Several variations of fluoric acid (HF) treatments of silicon substrates were examined for their adaptability as a pretreatment method for a silicon epitaxy process. Treatments with and without distilled, deionized (DI) water rinse, of different HF concentrations, and of different methods of HF supply were tested and their residual carbonic impurity contents were measured using RHEED. As a result, HF treatments by themselves were found to be insufficient in passivating the surface dangling bonds irrespective of the method of HF supply: dipping into the solution or exposure to the vapor. The optimum procedure of HF treatment thus proposed is a succession of (a) HF dipping, (b) DI-water rinsing, (c) nitrogen-gas blowing, and (d) UV-ozone cleaning.

  18. Weld repair without PWHT for Cr-Mo steel

    SciTech Connect

    Friedman, L.M.

    1995-12-01

    The Edison Welding Institute and TWI of Cambridge, England have completed a group sponsored project that has been successful in demonstrating the acceptability to weld repair 1{1/4}Cr-{1/2}Mo and 2{1/4}Cr-1Mo steels without PWHT. A detailed SMAW welding procedure was developed for all welding positions that provides excellent weldment properties in the as-welded condition for both the 1{1/4}Cr-{1/2}Mo and 2{1/4}Cr-1Mo steels. This procedure is supported by detailed welding instructions for controlled deposition welding, a welder training document, and instructions for welding of the welder qualification test assembly. The program included a significant amount of mechanical property characterization and performance testing to validate the acceptability of controlled deposition, as-welded repair of the CrMo steels. Another important accomplishment of this program was the development of a set of guidelines that identifies where, when, and how to apply controlled deposition, as-welded repairs for electric utility and petroleum refinery equipment. One final and important result, partly due to this program, is that a new set of rules have been approved for the National Board Inspection Code (ANSI/NB-23) for weld repair of ferritic steel components without PWHT. This is Chapter 3, Supplement 3 in the NBIC Code, ``Welding Methods as Alternatives to Postweld Heat Treatment.``

  19. Nanometer-scale crystallization of thin HfO2 films studied by HF-chemical etching

    NASA Astrophysics Data System (ADS)

    Fujii, Shinji; Miyata, Noriyuki; Migita, Shinji; Horikawa, Tsuyoshi; Toriumi, Akira

    2005-05-01

    We used a HF-chemical etching process to examine crystalline structures in thin HfO2 films grown by metal organic chemical vapor deposition at 350-550°C. Nanometer-scale crystalline HfO2 nuclei were identified from all the HfO2 films. The nucleus density exponentially increased with increasing deposition temperature, but the diameter of the nuclei did not depend on the deposition temperature. We propose that the crystallization of thin HfO2 film during growth proceeds in a patchwork process with the increase of the crystalline HfO2 nuclei.

  20. Phosphine Chemistry on Mo(110) and Oxidized Mo(110)

    DTIC Science & Technology

    1993-01-01

    temperature the O(KLL) peak of MoOx (0(520 eV)/Mo(187 eV) ratioy = shoulder (85 K) developed; it originates from multilayer phys- 0.3). It was found...400 TEMPERATURE (K) MOOx (o/Mo-4.0J Figure 6. Comparison of PH3 TPD spectra from PH3/Mo(I 10) and from PH3/D2/Mo(l 10). so 150 250 350 450 550

  1. Origin of Excess 176Hf in Meteorites

    NASA Astrophysics Data System (ADS)

    Thrane, Kristine; Connelly, James N.; Bizzarro, Martin; Meyer, Bradley S.; The, Lih-Sin

    2010-07-01

    After considerable controversy regarding the 176Lu decay constant (λ176Lu), there is now widespread agreement that (1.867 ± 0.008) × 10-11 yr-1 as confirmed by various terrestrial objects and a 4557 Myr meteorite is correct. This leaves the 176Hf excesses that are correlated with Lu/Hf elemental ratios in meteorites older than ~4.56 Ga meteorites unresolved. We attribute 176Hf excess in older meteorites to an accelerated decay of 176Lu caused by excitation of the long-lived 176Lu ground state to a short-lived 176m Lu isomer. The energy needed to cause this transition is ascribed to a post-crystallization spray of cosmic rays accelerated by nearby supernova(e) that occurred after 4564.5 Ma. The majority of these cosmic rays are estimated to penetrate accreted material down to 10-20 m, whereas a small fraction penetrate as deep as 100-200 m, predicting decreased excesses of 176Hf with depth of burial at the time of the irradiation event.

  2. Studies on phase transition temperature of rare earth niobates Ln3NbO7 (Ln = Pr, Sm, Eu) with orthorhombic fluorite-related structure

    NASA Astrophysics Data System (ADS)

    Hinatsu, Yukio; Doi, Yoshihiro

    2017-06-01

    The phase transition of ternary rare earth niobates Ln3NbO7 (Ln = Pr, Sm, Eu) was investigated by the measurements of high-temperature and low-temperature X-ray diffraction, differential scanning calorimetry (DSC) and differential thermal analysis (DTA). These compounds crystallize in an orthorhombic superstructure derived from the structure of cubic fluorite (space group Pnma for Ln = Pr; C2221 for Ln = Sm, Eu). Sm3NbO7 undergoes the phase transition when the temperature is increased through ca. 1080 K and above the transition temperature, its structure is well described with space group Pnma. For Eu3NbO7, the phase transition was not observed up to 1273 K Pr3NbO7 indicates the phase transition when the temperature is increased through ca. 370 K. The change of the phase transition temperature against the Ln ionic radius for Ln3NbO7 is quite different from those for Ln3MO7 (M = Mo, Ru, Re, Os, or Ir), i.e., no systematic relationship between the phase transition temperature and the Ln ionic radius has been observed for Ln3NbO7 compounds.

  3. SEMICONDUCTOR TECHNOLOGY: Wet etching characteristics of a HfSiON high-k dielectric in HF-based solutions

    NASA Astrophysics Data System (ADS)

    Yongliang, Li; Qiuxia, Xu

    2010-03-01

    The wet etching properties of a HfSiON high-k dielectric in HF-based solutions are investigated. HF-based solutions are the most promising wet chemistries for the removal of HfSiON, and etch selectivity of HF-based solutions can be improved by the addition of an acid and/or an alcohol to the HF solution. Due to densification during annealing, the etch rate of HfSiON annealed at 900 °C for 30 s is significantly reduced compared with as-deposited HfSiON in HF-based solutions. After the HfSiON film has been completely removed by HF-based solutions, it is not possible to etch the interfacial layer and the etched surface does not have a hydrophobic nature, since N diffuses to the interface layer or Si substrate formation of Si-N bonds that dissolves very slowly in HF-based solutions. Existing Si-N bonds at the interface between the new high-k dielectric deposit and the Si substrate may degrade the carrier mobility due to Coulomb scattering. In addition, we show that N2 plasma treatment before wet etching is not very effective in increasing the wet etch rate for a thin HfSiON film in our case.

  4. Precipitation of (Si2-xAlx)Hf in an Al-Si-Mg-Hf Alloy.

    PubMed

    Wang, Xueli; Xie, Zhiqiang; Huang, Huilan; Jia, Zhihong; Yang, Guang; Gu, Lin; Liu, Qing

    2017-08-01

    The morphology, composition, and structure of precipitates in an Al-Si-Mg-Hf alloy after heat treatment at 560°C for 20 h were studied by means of C s -corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), energy dispersive X-ray spectrometry (EDS), high-resolution transmission electron microscopy (HRTEM), and first-principle calculations. Precipitates with three kinds of morphologies were observed. The rectangular and square precipitates were predominantly (Si2-x Al x )Hf phases, while the nanobelt-like precipitate is the Si2Hf phase. First-principle calculations were used to show that the Si6 and Si8 sites were the most favorable sites for Al incorporation in the orthorhombic Si2Hf phase.

  5. Spallation and fission products in the (p+ 179Hf) and (p+ natHf) reactions

    NASA Astrophysics Data System (ADS)

    Karamian, S. A.; Ur, C. A.; Adam, J.; Kalinnikov, V. G.; Lebedev, N. A.; Vostokin, G. K.; Collins, C. B.; Popescu, I. I.

    2009-03-01

    Production of Hf and Lu high-spin isomers has been experimentally studied in spallation reactions induced by intermediate energy protons. Targets of enriched 179Hf (91%) and natHf were bombarded with protons of energy in the range from 90 to 650 MeV provided by the internal beam of the Dubna Phasotron synchrocyclotron. The activation yields of the reaction products were measured by using the γ-ray spectroscopy and radiochemistry methods. The production cross-sections obtained for the 179m2Hf, 178m2Hf and 177mLu isomers are similar to the previously measured values from the spallation of Ta, Re and W targets. Therefore, the reactions involving emission of only a few nucleons, like (p,p'), (p,p'n) and (p,2pn), can transfer high enough angular momentum to the final residual nuclei with reasonable large cross-sections. A significant gain in the isomeric yields was obtained when enriched 179Hf targets were used. The mass distribution of the residual nuclei was measured over a wide range of masses and the fission-to-spallation ratio could be deduced as a function of the projectile energy. Features of the reaction mechanism are briefly discussed.

  6. Nb-Nb interactions define the charge density wave structure of 2H-NbSe2.

    PubMed

    Malliakas, Christos D; Kanatzidis, Mercouri G

    2013-02-06

    2H-NbSe(2) is a canonical Charge-Density-Wave (CDW) layered material the structural details of which remained elusive. We report the detailed structure of 2H-NbSe(2) below the CDW transition using a (3 + 2)-dimensional crystallographic approach on single crystal X-ray diffraction data collected at 15 K. Intensities of main reflections as well as CDW satellites of first order were measured. Quantitative information about the magnitude of the structural distortions and clustering of Nb atoms were extracted from the refined model. The Nb-Nb distances were found to distort between 3.4102(8) and 3.4928(8) Å in the CDW phase from the average undistorted distance of 3.4583(4) Å.

  7. Oxygen Atom Adsorption on and Diffusion into Nb(110) and Nb(100) from First Principles

    SciTech Connect

    Tafen, De Nyago; Gao, Michael C

    2013-11-01

    In order to understand the dynamics of oxidation of Nb, we examine the adsorption, absorption, and diffusion of an oxygen atom on, in, and into Nb(110) and Nb(100) surfaces, respectively, using density functional theory. Our calculations predict that the oxygen atom adsorbs on the threefold site on Nb(110) and the fourfold hollow site on Nb(100), and the adsorption energy is -5.08 and -5.18 eV respectively. We find the long and short bridge sites to be transition states for O diffusion on Nb(110), while the on top site is a rank-2 saddle point. In the subsurface region, the oxygen atom prefers the octahedral site, as in bulk niobium. Our results also show that the O atom is more stable on Nb(110) subsurface than on Nb(100) subsurface. The diffusion of oxygen atoms into niobium surfaces passes through transition states where the oxygen atom is coordinated to four niobium atoms. The diffusion barriers of the oxygen atom into Nb(110) and Nb(100) are 1.81 and 2.05 eV, respectively. Analysis of the electronic density of states reveals the emergence of well localized electronic states below the lowest states of clean Nb surfaces due to d-p orbital hybridization.

  8. Comparing the thermal stability of NbTi and Nb3Sn wires

    NASA Astrophysics Data System (ADS)

    Breschi, M.; Trevisani, L.; Bottura, L.; Devred, A.; Trillaud, F.

    2009-02-01

    The investigation of quenching in low temperature superconducting wires is of great relevance for a proper design of superconductive cables and magnets. This paper reports the experimental results of a vast measurement campaign of quench induced by laser pulses on NbTi and Nb3Sn wires in pool boiling helium I. A comparison of the quench behavior of two typical NbTi and Nb3Sn wires is shown from different standpoints. Different qualitative behaviors of the voltage traces recorded during quenches and recoveries on NbTi and Nb3Sn wires are reported and analyzed. It is shown that the Nb3Sn wire exhibits a quench or no-quench behavior, whereas quenches and recoveries are exhibited by the NbTi wire. The two wires are also compared by considering the behaviors of the two main parameters describing quench, i.e. quench energies and quench velocities, with respect to operating current, pulse duration, and magnetic field. It is shown that the Nb3Sn wire exhibits a 'kink' of the quench energy versus current curve that makes the quench energy of Nb3Sn lower than that of NbTi at some intermediate current levels. Both the qualitative differences of the voltage traces and the different behaviors of quench energies and velocities are interpreted through a coupled electromagnetic-thermal model, with special emphasis on the detailed description of heat exchange with liquid helium.

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

    PubMed

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

    2012-06-01

    In this work, Bi(4)Nb(x)Ta((1-x))O(8)I photocatalysts have been synthesized by solid state reaction method and characterized by powder X-ray diffraction, scanning electron microscope and UV-Vis near infrared diffuse reflectance spectroscopy. The photocatalytic activity of these photocatalysts was evaluated by the degradation of methyl orange (MO) in aqueous solutions under visible light, UV light and solar irradiation. The effects of catalyst dosage, initial pH and MO concentration on the removal efficiency were studied, and the photocatalytic reaction kinetics of MO degradation as well. The results indicated that Bi(4)Nb(x)Ta((1-x))O(8)I exhibited high photocatalytic activity for the removal of MO in aqueous solutions. For example, the removal efficiency of MO by Bi(4)Nb(0.1)Ta(0.9)O(8)I was as high as 92% within 12 h visible light irradiation under the optimal conditions: initial MO concentration of 5-10 mg L(-1), catalyst dosage of 6 g L(-1) and natural pH (6-8), the MO molecules could be completely degradated by Bi(4)Nb(0.1)Ta(0.9)O(8)I within 40 min under UV light irradiation, and the photodegradation efficiency reaches to 60% after 7 h solar irradiation. Furthermore, the photocatalytic degradation of Bisphenol A (BPA) was also investigated under visible light irradiation. It is found that 99% BPA could be mineralized by Bi(4)Nb(0.1)Ta(0.9)O(8)I after 16 h visible light irradiation. Through HPLC/MS, BOD, TOC, UV-Vis measurements, we determined possible degradation products of MO and BPA. The results indicated that MO was degradated into products which are easier to be biodegradable and innocuous treated, and BPA could be mineralized completely. Furthermore, the possibility for the photosensitization effect in the degradation process of MO under visible light irradiation has been excluded. Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. TeleEducation NB. Report 1994.

    ERIC Educational Resources Information Center

    TeleEducation NB, Fredericton (New Brunswick).

    This is the first report of TeleEducation NB, the bilingual education network of New Brunswick, Canada. The mission of TeleEducation NB is to provide residents of New Brunswick and other regions cost-effective, equitable access to a range of training, information, and educational services in both official languages, English and French. The network…

  11. Gas phase reactions of the met-cars Ti[sub 8]C[sub 12][sup +], Nb[sub 8]C[sub 12][sup +], and Ti[sub 7]NbC[sub 12][sup +] with acetone and methyl iodide

    SciTech Connect

    Deng, H.T.; Guo, B.C.; Kerns, K.P.; Castleman, A.W. Jr. )

    1994-12-15

    Gas phase reactions of the metallocarbohedrenes Ti[sub 8]C[sub 12][sup +], Nb[sub 8]C[sub 12][sup +], and Ti[sub 7]NbC[sub 12][sup +] with two different types of molecules, namely, acetone and methyl iodide, are investigated at near thermal energy by employing a laser-induced plasma source coupled with a triple quadrupole mass spectrometer. Two general types of reactions are observed: molecular associations and atom abstraction reactions. In agreement with earlier studies on the interaction of Ti[sub 8]C[sub 12][sup +]/with polar molecules, association reactions are found to dominate in the case of acetone. But, the incorporation of even one Nb greatly affects the reactivity. For example, the extraction of one and two oxygen atoms from acetone is also observed for Nb[sub 8]C[sub 12][sup +] and Ti[sub 7]NbC[sub 12][sup +]; these products are found to sequentially associate with acetone to form Nb[sub 8]C[sub 12][sup +](O)[sub 1[minus]2](acetone)[sub n] and Ti[sub 7]NbC[sub 12][sup +](O)[sub 1[minus]2](acetone)[sub n]. The reaction involves breaking C=O bonds and forming M-O bonds, evidently due to the presence of the dipole-induced charge center of Nb[sub 8]C[sub 12][sup +] and Ti[sub 7]NbC[sub 12][sup +]. Possible reaction mechanisms are proposed which take into account the electronic structures of Nb[sub 8]C[sub 12][sup +], Ti[sub 7]NbC[sub 12][sup +], and Ti[sub 8]C[sub 12][sup +]. 36 refs., 6 figs.

  12. Investigation of activation cross-sections of proton induced nuclear reactions on natMo up to 40 MeV: New data and evaluation

    NASA Astrophysics Data System (ADS)

    Tárkányi, F.; Ditrói, F.; Hermanne, A.; Takács, S.; Ignatyuk, A. V.

    2012-06-01

    Cross-sections of proton induced nuclear reactions on natural molybdenum have been studied in the frame of a systematic investigation of charged particle induced nuclear reactions on metals for different applications. The excitation functions of 93mTc, 93gTc(m+), 94mTc, 94gTc, 95mTc, 95gTc, 96gTc(m+), 99mTc, 90Mo(cum), 93mMo, 99Mo(cum), 90Nb(cum), 92mNb, 95mNb, 95gNb, 96Nb and 88Zr(cum), 89Zr(cum) were measured up to 40 MeV proton energy by a using stacked foil technique and activation method. The main goals of this work were to study the production possibility of the medically important 99mTc and its 99Mo parent nucleus, to get experimental data for accelerator technology, for monitoring of proton beam, for thin layer activation technique and for testing nuclear reaction theories. The experimental data were compared with critically analysed published data and with the results of model calculations, obtained by using the ALICE-IPPE, EMPIRE-II and TALYS codes.

  13. The Influence of Composition upon Surface Degradation and Stress Corrosion Cracking of the Ni-Cr-Mo Alloys in Wet Hydrofluoric Acid

    SciTech Connect

    Crook, P; Meck, N S; Rebak, R B

    2006-12-04

    At concentrations below 60%, wet hydrofluoric acid (HF) is extremely corrosive to steels, stainless steels and reactive metals, such as titanium, zirconium, and tantalum. In fact, only a few metallic materials will withstand wet HF at temperatures above ambient. Among these are the nickel-copper (Ni-Cu) and nickel-chromium-molybdenum (Ni-Cr-Mo) alloys. Previous work has shown that, even with these materials, there are complicating factors. For example, under certain conditions, internal attack and stress corrosion cracking (SCC) are possible with the Ni-Cr-Mo alloys, and the Ni-Cu materials can suffer intergranular attack when exposed to wet HF vapors. The purpose of this work was to study further the response of the Ni-Cr-Mo alloys to HF, in particular their external corrosion rates, susceptibility to internal attack and susceptibility to HF-induced SCC, as a function of alloy composition. As a side experiment, one of the alloys was tested in two microstructural conditions, i.e. solution annealed (the usual condition for materials of this type) and long-range ordered (this being a means of strengthening the alloy in question). The study of external corrosion rates over wide ranges of concentration and temperature revealed a strong beneficial influence of molybdenum content. However, tungsten, which is used as a partial replacement for molybdenum in some Ni-Cr-Mo alloys, appears to render the alloys more prone to internal attack. With regard to HF-induced SCC of the Ni-Cr-Mo alloys, this study suggests that only certain alloys (i.e., those containing tungsten) exhibit classical SCC. It was also discovered that high external corrosion rates inhibit HF-induced SCC, presumably due to rapid progression of the external attack front. With regard to the effects of long-range ordering, these were only evident at the highest test temperatures, where the ordered structure exhibited much higher external corrosion rates than the annealed structure.

  14. Level structure of {sup 95}Nb

    SciTech Connect

    Rahman, M.A.; Chowdhury, M.S.

    2005-11-01

    The level structure of the {sup 95}Nb nucleus has been studied with the (t,p) reaction in {sup 93}Nb using a tandem Van de Graaff accelerator and a multichannel magnetic spectrograph at an incident beam energy of 12 MeV. Proton spectra are obtained at 12 different angles from 5 deg. to 87.5 deg. at an interval of 7.5 deg. Measurements of the proton distributions from the {sup 93}Nb(t,p){sup 95}Nb reaction were made for the ground and 54 excited states up to the excitation energy of 3.669 MeV. Absolute differential cross sections for the levels have been measured. The experimental angular distributions are compared with the theoretical distorted-wave Born approximation calculations to determine L values and J{sup {pi}} values. The level structure of {sup 95}Nb is compared with previous results.

  15. Atomically Thin-Layered Molybdenum Disulfide (MoS2) for Bulk-Heterojunction Solar Cells.

    PubMed

    Singh, Eric; Kim, Ki Seok; Yeom, Geun Young; Nalwa, Hari Singh

    2017-02-01

    Transition metal dichalcogenides (TMDs) are becoming significant because of their interesting semiconducting and photonic properties. In particular, TMDs such as molybdenum disulfide (MoS2), molybdenum diselenide (MoSe2), tungsten disulfide (WS2), tungsten diselenide (WSe2), titanium disulfide (TiS2), tantalum sulfide (TaS2), and niobium selenide (NbSe2) are increasingly attracting attention for their applications in solar cell devices. In this review, we give a brief introduction to TMDs with a focus on MoS2; and thereafter, emphasize the role of atomically thin MoS2 layers in fabricating solar cell devices, including bulk-heterojunction, organic, and perovskites-based solar cells. Layered MoS2 has been used as the hole-transport layer (HTL), electron-transport layer (ETL), interfacial layer, and protective layer in fabricating heterojunction solar cells. The trilayer graphene/MoS2/n-Si solar cell devices exhibit a power-conversion efficiency of 11.1%. The effects of plasma and chemical doping on the photovoltaic performance of MoS2 solar cells have been analyzed. After doping and electrical gating, a power-conversion efficiency (PCE) of 9.03% has been observed for the MoS2/h-BN/GaAs heterostructure solar cells. The MoS2-containing perovskites-based solar cells show a PCE as high as 13.3%. The PCE of MoS2-based organic solar cells exceeds 8.40%. The stability of MoS2 solar cells measured under ambient conditions and light illumination has been discussed. The MoS2-based materials show a great potential for solar cell devices along with high PCE; however, in this connection, their long-term environmental stability is also of equal importance for commercial applications.

  16. Syntheses and Properties of Homoleptic Carbonyl and Trifluorophosphane Niobates: [Nb(CO)(6)](-), [Nb(PF(3))(6)](-) and [Nb(CO)(5)](3)(-) (,)(1).

    PubMed

    Barybin, Mikhail V.; Ellis, John E.; Pomije, Marie K.; Tinkham, Mary L.; Warnock, Garry F.

    1998-12-14

    Reductive carbonylations of NbCl(4)(THF)(2), THF = tetrahydrofuran, mediated by sodium naphthalene in 1,2-dimethoxyethane, DME, or sodium anthracene in THF, provide [Nb(CO)(6)](-) as the tetraethylammonium salt in 60% or 70% isolated yields, respectively, the highest known for atmospheric pressure syntheses of this metal carbonyl. Corresponding reductions involving PF(3) give about 40% yields of [Et(4)N][Nb(PF(3))(6)], which in the past was only accessible by a photochemical route. Electrochemical data for [Nb(CO)(6)](-) and [Nb(PF(3))(6)](-) are compared and show that the PF(3) complex is almost 1 V more difficult to oxidize than the CO analogue. Protonation of [Nb(PF(3))(6)](-) by concentrated sulfuric acid yields a volatile, thermally unstable species, which has been shown by (1)H NMR and mass spectral studies to be the new niobium hydride, Nb(PF(3))(6)H. Previously unpublished (93)Nb and (13)C NMR studies corroborate prior claims that the sodium metal reduction of [Nb(CO)(6)](-) in liquid ammonia affords [Nb(CO)(5)](3)(-), the only known Nb(III-) species. The first details of this synthesis and those of [Nb(CO)(5)H](2)(-), [Nb(CO)(5)SnPh(3)](2)(-), [Nb(CO)(5)NH(3)](-), and [Nb(CO)(5)(CNtBu)](-) are presented.

  17. Electronic and magnetic properties of NbSe2 monolayer doped vacancy and transition metal atoms

    NASA Astrophysics Data System (ADS)

    Manchanda, Priyanka; Sellmyer, David; Skomski, Ralph

    2015-03-01

    Two-dimensional transition-metal dichalcogenides (2D TMDs) have attracted much attention recently due to potential applications including optoelectronic devices. Atomically thin layers of materials such as MoS2, WS2, NbS2, NbSe2, TaTe2 can easily be synthesized by exfoliation techniques and exhibit variety electronic phases such as metal, semiconductor, superconductor depending on the choice of metal. Most of the TMDs are nonmagnetic and various techniques have been proposed to induce or modulate magnetic properties that are essential for nanoelectronic device applications. We use DFT calculations to analyze the effect of strain, hydrogen adsorption, and doping. Emphasis is on the magnetic properties of NbSe2 monolayers containing vacancies and 3 d transition metal atoms. We find that magnetism can be induced by vacancy creation and transition metal-substitution in NbSe2, with effects similar to strain and hydrogen adsorption. The moment mainly arises from the localized nonbonding 3d electrons of the transition-metal atoms. Our findings contribute to the ongoing search ``for-better-than-graphene'' thin-film materials for novel electronic devices. This research is partially supported by DOE BES (DE-FG02-04ER46152).

  18. The Nicotiana benthamiana mitogen-activated protein kinase cascade and WRKY transcription factor participate in Nep1(Mo)-triggered plant responses.

    PubMed

    Zhang, Huajian; Li, Deqing; Wang, Meifang; Liu, Jiewen; Teng, Wenjun; Cheng, Baoping; Huang, Qian; Wang, Min; Song, Wenwen; Dong, Suomeng; Zheng, Xiaobo; Zhang, Zhengguang

    2012-12-01

    Many bacterial, fungal, and oomycete species secrete necrosis and ethylene-inducing peptide 1 (Nep1)-like proteins (NLP) that trigger programmed cell death (PCD) and innate immune responses in dicotyledonous plants. However, how NLP induce such immune responses is not understood. Here, we show that silencing of the MAPKKKα-MEK2-WIPK mitogen-activated protein kinase (MAPK) cascade through virus-induced gene silencing compromises hydrogen peroxide accumulation and PCD induced by Nep1(Mo) from Magnaporthe oryzae. WIPK interacts with NbWRKY2, a transcription factor in Nicotiana benthamiana, in vitro and in vivo, suggesting an effector pathway that mediates Nep1(Mo)-induced cell death. Unexpectedly, salicylic acid-induced protein kinase (SIPK)- and NbWRKY2-silenced plants showed impaired Nep1(Mo)-induced stomatal closure, decreased Nep1(Mo)-promoted nitric oxide (NO) production in guard cells, and a reduction in Nep1(Mo)-induced resistance against Phytophthora nicotianae. Expression studies by real-time polymerase chain reaction suggested that the MEK2-WIPK-NbWRKY2 pathway regulated Nep1(Mo)triggered NO accumulation could be partly dependent on nitrate reductase, which was implicated in NO synthesis. Taken together, these studies demonstrate that the MAPK cascade is involved in Nep1(Mo)-triggered plant responses and MAPK signaling associated with PCD exhibits shared and distinct components with that for stomatal closure.

  19. HF Channel Availability under Ionospheric Disturbances: Model, Method and Measurements as Contributions

    NASA Astrophysics Data System (ADS)

    Tulunay, E.; Senalp, E. T.; Tulunay, Y.; Warrington, E. M.; Sari, M. O.

    2009-04-01

    variation of group range and line-of-sight Doppler velocity of the HF Radar echo signal were investigated. HF radar system under ionospheric disturbances has been identified globally and some operational suggestions have been presented. It is possible for the HF radar operator to estimate the possible skip distance and possible single hop group ranges for the given frequencies of 11 MHz and 14 MHz [Buyukpabuscu, 2007]. (iii) The measurements over the HF band during the 29 March 2006 total solar eclipse in Antalya (36° N; 30° E) Turkey was conducted from the channel occupancy and atmospheric noise points of view. The whole HF band ranging from 1 to 30 MHz has been swept using 10 kHz peak and 200 Hz average detectors of a certified EMI receiver equipped with a calibrated active monopole antenna. The changes in the atmospheric noise during the eclipse were reported [Tulunay, 2006]. The model based, theoretical and experimental works mentioned are promising and have potential for future research and developments. References Buyukpabuscu S.O. (2007), System Identification with Particular Interest On The High Frequency Radar Under Ionospheric Disturbances, MS Thesis, Electrical and Electronics Eng., Middle East Technical Univ., Ankara, Turkey, February 2007. Sari M.O. (2006), A New Approach For The Assessment Of Hf Channel Availability Under Ionospheric Disturbances, MS Thesis, Electrical and Electronics Eng., Middle East Technical Univ., Ankara, Turkey, September 2006. Tulunay E., E. M. Warrington, Y. Tulunay, Y. Bahadırlar, A.S. Türk, R. Çaputçu, T. Yapıcı , E.T. Şenalp (2006), Propagation Related Measurements during Three Solar Eclipses in Turkey, IET 10th International Conference on Ionospheric Radio Systems & Techniques, IRST 2006, 18-21 July 2006, London, UK.

  20. Completing the nuclear reaction puzzle of the nucleosynthesis of 92Mo

    NASA Astrophysics Data System (ADS)

    Tveten, G. M.; Spyrou, A.; Schwengner, R.; Naqvi, F.; Larsen, A. C.; Eriksen, T. K.; Bello Garrote, F. L.; Bernstein, L. A.; Bleuel, D. L.; Crespo Campo, L.; Guttormsen, M.; Giacoppo, F.; Görgen, A.; Hagen, T. W.; Hadynska-Klek, K.; Klintefjord, M.; Meyer, B. S.; Nyhus, H. T.; Renstrøm, T.; Rose, S. J.; Sahin, E.; Siem, S.; Tornyi, T. G.

    2016-08-01

    One of the greatest questions for modern physics to address is how elements heavier than iron are created in extreme astrophysical environments. A particularly challenging part of that question is the creation of the so-called p -nuclei, which are believed to be mainly produced in some types of supernovae. The lack of needed nuclear data presents an obstacle in nailing down the precise site and astrophysical conditions. In this work, we present for the first time measurements on the nuclear level density and average γ strength function of 92Mo. State-of-the-art p -process calculations systematically underestimate the observed solar abundance of this isotope. Our data provide stringent constraints on the 91Nb(p ,γ )92Mo reaction rate, which is the last unmeasured reaction in the nucleosynthesis puzzle of 92Mo. Based on our results, we conclude that the 92Mo abundance anomaly is not due to the nuclear physics input to astrophysical model calculations.

  1. Heterogeneous chemistry of HBr and HF

    SciTech Connect

    Hanson, D.R.; Ravishankara, A.R.

    1992-11-12

    The authors present information on heterogeneous chemistry of HF and HBr on glass and ice surfaces at a temperature of 200K. Their objective is to study whether heterogeneous reactions of these species could be important in the atmospheric chemistry occuring on NAT particles or cloud condensation nuclei, and be a contributor to ozone depletion. HF showed no significant uptake or reactions with ClONO{sub 2} or HOCl. HBr was found to adsorb on these surfaces, and did not exhibit saturation for even relative high concentrations. In addition it showed reactivity with ClONO{sub 2}, Cl{sub 2} and N{sub 2}O{sub 5} on ice surfaces.

  2. Plastic deformation of directionally solidified ingots of binary and some ternary MoSi2/Mo5Si3 eutectic composites.

    PubMed

    Matsunoshita, Hirotaka; Sasai, Yuta; Fujiwara, Kosuke; Kishida, Kyosuke; Inui, Haruyuki

    2016-01-01

    The high-temperature mechanical properties of directionally solidified (DS) ingots of binary and some ternary MoSi2/Mo5Si3 eutectic composites with a script lamellar structure have been investigated as a function of loading axis orientation and growth rate in a temperature range from 900 to 1500°C. These DS ingots are plastically deformed above 1000 and 1100 °C when the compression axis orientations are parallel to [1[Formula: see text]0]MoSi2 (nearly parallel to the growth direction) and [001]MoSi2, respectively. [1[Formula: see text]0]MoSi2-oriented DS eutectic composites are strengthened so much by forming a script lamellar microstructure and they exhibit yield stress values several times higher than those of MoSi2 single crystals of the corresponding orientation. The yield stress values increase with the decrease in the average thickness of MoSi2 phase in the script lamellar structure, indicating that microstructure refinement is effective in obtaining better high-temperature strength of these DS eutectic composites. Among the four ternary alloying elements tested (V, Nb, Ta and W), Ta is found to be the most effective in obtaining higher yield strength at 1400 °C.

  3. Plastic deformation of directionally solidified ingots of binary and some ternary MoSi2/Mo5Si3 eutectic composites

    PubMed Central

    Matsunoshita, Hirotaka; Sasai, Yuta; Fujiwara, Kosuke; Kishida, Kyosuke; Inui, Haruyuki

    2016-01-01

    Abstract The high-temperature mechanical properties of directionally solidified (DS) ingots of binary and some ternary MoSi2/Mo5Si3 eutectic composites with a script lamellar structure have been investigated as a function of loading axis orientation and growth rate in a temperature range from 900 to 1500°C. These DS ingots are plastically deformed above 1000 and 1100 °C when the compression axis orientations are parallel to [11¯0]MoSi2 (nearly parallel to the growth direction) and [001]MoSi2, respectively. [11¯0]MoSi2-oriented DS eutectic composites are strengthened so much by forming a script lamellar microstructure and they exhibit yield stress values several times higher than those of MoSi2 single crystals of the corresponding orientation. The yield stress values increase with the decrease in the average thickness of MoSi2 phase in the script lamellar structure, indicating that microstructure refinement is effective in obtaining better high-temperature strength of these DS eutectic composites. Among the four ternary alloying elements tested (V, Nb, Ta and W), Ta is found to be the most effective in obtaining higher yield strength at 1400 °C. PMID:27877900

  4. Soft X-ray photoemission studies of Hf oxidation

    SciTech Connect

    Suzer, S.; Sayan, S.; Banaszak Holl, M.M.; Garfunkel, E.; Hussain, Z.; Hamdan, N.M.

    2002-02-01

    Soft X-Ray Photoemission Spectroscopy using surface sensitive Synchrotron Radiation has been applied to accurately determine the binding energy shifts and the valence band offset of the HfO2 grown on Hf metal. Charging of oxide films under x-rays (or other irradiation) is circumvented by controlled and sequential in-situ oxidation. Photoemission results show the presence of metallic Hf (from the substrate) with the 4f7/2 binding energy of 14.22 eV, fully oxidized Hf (from HfO2) with the 4f7/2 binding energy of 18.16 eV, and at least one clear suboxide peak. The position of the valence band of HfO2 with respect to the Hf(m) Fermi level is determined as 4.05 eV.

  5. Digitally Driven Antenna for HF Transmission

    DTIC Science & Technology

    2010-09-01

    and reception and the fast Fourier transform (FFT). From Ampere’s Law, (2) it is seen that the magnetic field is proportional to the current density... pulse train. This is defined here as the digitally driven antenna architecture. A circuit simulator with broadband equivalent-circuit models for the...HF signal from the digital pulse train. This is defined here as the digitally driven antenna architecture. A circuit simulator with broadband

  6. Improved HF Data Network Simulator. Volume 1

    DTIC Science & Technology

    1993-07-01

    flares - may cause HF blackouts, as can large terrestrial events such as volcanic eruptions and atomic explosions. The ionosphere exhibits a remarkable...of the earth interacts with the solar wind, causing rapid changes in the ionosphere that are made visible in part by the aurora borealis. The effects...backscatter - unpredictable changes in refraction from sporadic-E and F layers - excess path delays caused by non-great-circle modes propagating via

  7. Surface characteristics of TiN/ZrN coated nanotubular structure on the Ti-35Ta-xHf alloy for bio-implant applications

    NASA Astrophysics Data System (ADS)

    Moon, Byung-Hak; Choe, Han-Cheol; Brantley, William A.

    2012-01-01

    In this study, we investigated the surface characteristics of the TiN/ZrN-coated nanotubular structure on Ti-35Ta-xHf ternary alloys for bio-implant applications. These ternary alloys contained from 3 wt.% to 15 wt.% Hf contents and were manufactured in an arc-melting furnace. The Ti-35Ta-xHf alloys were heat treated in Ar atmosphere at 1000 °C for 24 h, followed by water quenching. Formation of the nanotubular structure was achieved by an electrochemical method in 1 M H3PO4 electrolytes containing 0.8 wt.% NaF. The TiN coating and ZrN coating were subsequently prepared by DC-sputtering on the nanotubular surface. Microstructures and nanotubular morphology of the alloys were examined by FE-SEM, EDX and XRD. The microstructure showed a duplex (α‧‧ + β) phase structure. Traces of martensite disappeared with increasing Hf content, and the Ti-35Nb-15Hf alloy had an entirely equiaxed structure of β phase. This research has shown that highly ordered, high aspect ratio, and nanotubular morphology surface oxide layers can be formed on the ternary titanium alloys by anodization. The TiN and ZrN coatings formed on the nanotubular surfaces were uniform and stable. The top of the nanotube layers was uniformly covered with the ZrN film compared to the TiN film when the Ti-35Ta-xHf alloys had high Hf content.

  8. Electronic and mechanical properties, phase stability, and formation energies of point defects of niobium boronitride Nb2BN

    NASA Astrophysics Data System (ADS)

    Suetin, D. V.; Shein, I. R.

    2017-08-01

    The electronic structure, Fermi surface, Sommerfeld and Pauli paramagnetic susceptibility coefficients, cohesive energies, phase and point defect formation energies, elastic constants, bulk, shear, and Young moduli, Poisson ratios, and Vickers microhardness of niobium boronitride Nb2BN are determined by the ab initio FLAPW-GGA full-potential method. The obtained values are discussed in comparison with similar data for Mo2BC and other related binary carbides, nitrides, and borides of transition metals, and with available experimental data.

  9. Test results of a Nb3Al/Nb3Sn subscale magnet for accelerator application

    DOE PAGES

    Iio, Masami; Xu, Qingjin; Nakamoto, Tatsushi; ...

    2015-01-28

    The High Energy Accelerator Research Organization (KEK) has been developing a Nb3Al and Nb3Sn subscale magnet to establish the technology for a high-field accelerator magnet. The development goals are a feasibility demonstration for a Nb3Al cable and the technology acquisition of magnet fabrication with Nb3Al superconductors. KEK developed two double-pancake racetrack coils with Rutherford-type cables composed of 28 Nb3Al wires processed by rapid heating, quenching, and transformation in collaboration with the National Institute for Materials Science and the Fermi National Accelerator Laboratory. The magnet was fabricated to efficiently generate a high magnetic field in a minimum-gap common-coil configuration with twomore » Nb3Al coils sandwiched between two Nb3Sn coils produced by the Lawrence Berkeley National Laboratory. A shell-based structure and a “bladder and key” technique have been used for adjusting coil prestress during both the magnet assembly and the cool down. In the first excitation test of the magnet at 4.5 K performed in June 2014, the highest quench current of the Nb3Sn coil, i.e., 9667 A, was reached at 40 A/s corresponding to 9.0 T in the Nb3Sn coil and 8.2 T in the Nb3Al coil. The quench characteristics of the magnet were studied.« less

  10. Identification of Mo-Rich M23C6 Carbides in Alloy 718

    NASA Astrophysics Data System (ADS)

    Aghajani, Ali; Tewes, Jürgen; Parsa, Alireza Basir; Hoffmann, Thorsten; Kostka, Alexander; Kloewer, Jutta

    2016-09-01

    In the present study, we systematically identify and characterize a (Nb, Mo)-rich M23C6 type of M23C6 carbide with a lattice parameter of 1.094 nm in alloy 718 for the first time using a combination of selected area electron diffraction pattern and powder X-ray diffraction analysis. The time-temperature-precipitation diagrams of the precipitates in both annealed and strained conditions are obtained by particle analysis using an automated scanning electron microscopy method. (Nb, Mo)-rich M23C6 carbides first precipitate after 24 hours at 1223 K (950 °C) annealing, while they form after 10 minutes at 1273 K (1000 °C) in the strained condition. This correlates with the excess dislocations produce during deformation.

  11. Flux growth of multiferroic Cu3Nb2O8 single crystals

    NASA Astrophysics Data System (ADS)

    Chen, R.; Shi, M. M.; Liu, Y. J.; Liu, C. B.; Zhu, H. P.; Dong, C.; Liu, Y.; Shi, J.; Xia, Z. C.; Ouyang, Z. W.; Wang, J. F.

    2017-10-01

    Cu3Nb2O8 belongs to a new multiferroic family with coexisting structure and magnetic chiralities. In this work, we report on the flux growth of Cu3Nb2O8 single crystals using a V2O5-K2MoO4 mixture as the flux with a 5:1 ratio. The obtained crystals have an average size of 3 × 3 × 2 mm3 and high quality determined from X-ray diffraction, specific heat and susceptibility measurements. The experimental results on the single crystals reveal robust anomalies at 26.2 K and 24.5 K in specific heat and magnetic anisotropy along different crystallographic axes, which provide a better understanding of this fascinating multiferroic compound.

  12. Superconducting Proximity Effect in the Weyl Semimetal WTe2 and MoTe2

    NASA Astrophysics Data System (ADS)

    Wang, Wudi; Liu, Minhao; Gibson, Quinn; Cava, R. J.; Ong, N. P.

    WTe2 and MoTe2 are predicted to have type-II Weyl nodes and many novel transport properties have been studied. We investigated the transport of cooper pairs and Andreev reflection in Weyl semimetals by proximitizing WTe2 and MoTe2 nanoflakes with superconducting pads (Nb and Al). We have fabricated superconductor-nanoflakes-superconductor structure with different length. Supercurrent were observed in both materials with junction length up to 700nm. We conducted dc IV curve measurements and got exotic Fraunhofer patterns. We also measured the current-phase relation with a radio frequency-based CPR measurement technique.

  13. Timescales of Planetary Accretion and Differentiation from 182Hf-182W Systematics

    NASA Astrophysics Data System (ADS)

    Kleine, T.; Münker, C.; Mezger, K.; Palme, H.; Bischoff, A.

    2002-12-01

    considered. A decoupling of core formation and mantle differentiation on Mars is indicated by elevated 182W/184W ratios (~2.2 ɛ units relative to chondrites) for samples that display chondritic 142Nd/144Nd ratios. Based on 142Nd systematics a timescale of 27 Myrs timescale can be estimated for silicate differentiation (Harper et al., 1995), which is clearly resolvable from the time of core formation on Mars dated at ~13 Myrs. Combined 146Sm-142Nd data and 92Nb-92Zr systematics on terrestrial samples, and Hf isotope compositions of Earthś oldest zircons suggest that there is no vestige of terrestrial silicate differentiation earlier than 20 to 70 Myrs after core formation. Although old silicate reservoirs on Earth might have been re-homogenized with primitive mantle reservoirs, these constraints tentatively suggest a decoupling of core formation and mantle differentiation on Earth. References: Kleine et al. (2002), Nature 418, 952-955. Schoenberg et al. (2002), Geochim. Cosmochim. Acta 66, 3151-3160. Yin et al. (2002), Nature 418, 949-952. Lee and Halliday (2000), Chem. Geol. 169, 35-43. Quitté et al. (2000), Earth Planet. Sci. Let. 184, 83-94. Harper et al. (1995), Science 267, 213-217.

  14. Room temperature formation of Hf-silicate layer by pulsed laser deposition with Hf-Si-O ternary reaction control

    NASA Astrophysics Data System (ADS)

    Hotta, Yasushi; Ueoka, Satoshi; Yoshida, Haruhiko; Arafune, Koji; Ogura, Atsushi; Satoh, Shin-ichi

    2016-10-01

    We investigated the room temperature growth of HfO2 layers on Si substrates by pulsed laser deposition under ultra-high vacuum conditions. The laser fluence (LF) during HfO2 layer growth was varied as a growth parameter in the experiments. X-ray photoemission spectroscopy (XPS) was used to observe the interface chemical states of the HfO2/Si samples produced by various LFs. The XPS results indicated that an interface Hf-silicate layer formed, even at room temperature, and that the thickness of this layer increased with increasing pulsed LF. Additionally, Hf-Si bonds were increasingly formed at the interface when the LF was more than 2 J/cm2. This bond formation process was related to decomposition of HfO2 to its atomic states of Hf and O by multiphoton photochemical processes for bandgap excitation of the HfO2 polycrystalline target. However, the Hf-Si bond content of the interface Hf-silicate layer is controllable under high LF conditions. The results presented here represent a practical contribution to the development of room temperature processing of Hf-compound based devices.

  15. β-Nb9VO25

    PubMed Central

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

    2014-01-01

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

  16. Evidence for Slab Melt Contributions to the Mexican Volcanic Belt and Other Young Hot Slab Arcs from Lu-Hf Isotopes

    NASA Astrophysics Data System (ADS)

    Goldstein, S. L.; Cai, Y. M.; Langmuir, C. H.; Lagatta, A.; Straub, S. M.; Gomez-Tuena, A.; Martin Del Pozzo, A.

    2007-12-01

    Despite major advances in delineating the processes that govern magma generation at convergent margins, the problem persists of distinguishing slab, mantle wedge, and crustal contributions. A corrollary question is whether there is significant melting of subducted ocean crust. Especially in thick crust regions, the importance of crustal versus mantle contributions to lavas represents a long-standing fundamental issue in arc magma geochemistry. We show that frontal arc magmas from the Central Mexican Volcanic Belt (CMVB), including the large andesitic stratovolcanoes Popocatepetl and Nevado de Toluca, display negligible crustal contamination, and contain substantial contributions from melting of subducted Pacific ocean crust. Despite ca. 50 km thick continental crust, the CMVB erupts near primitive lavas including "high-Nb" alkaline basalts that show negligible "subduction signatures" in their trace element patterns. These "high-Nb" basalts define the regional mantle wedge composition in isotope-trace element space. The "normal" calcalkaline lavas form a negative correlation between Hf isotopes and Lu/Hf. One endmember is like the high Nb basalts representing the regional mantle wedge. The other endmember has higher Hf isotopes (approaching values of Pacific MORB) and very low Lu/Hf of less than 0.04 (e.g. compared to typical values of ca. 0.2 in Pacific MORB). The low Lu/Hf values require low degree partial melting of a source rich in garnet. The high Hf isotopes require a depleted mantle source with isotopes like Pacific MORB. Together the Lu-Hf data indicate a substantial component derived from melting of eclogitic Pacific ocean crust. A key feature of the data is that the stratovolcano lavas showing the largest slab melt signature also show the highest Hf isotope ratios and thus are more "depleted mantle-like" than the regional mantle wedge. Thus, the integrated data allow us to clearly distinguish between mantle and crustal sources in the CMVB and point to

  17. Materials Data on HfMoP (SG:189) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-14

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

  18. Materials Data on HfMo2 (SG:227) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-10

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

  19. Materials Data on Hf(MoO4)2 (SG:163) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

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

  20. Magnetic properties of Hf177 and Hf180 in the strong-coupling deformed model

    NASA Astrophysics Data System (ADS)

    Muto, S.; Stone, N. J.; Bingham, C. R.; Stone, J. R.; Walker, P. M.; Audi, G.; Gaulard, C.; Köster, U.; Nikolov, J.; Nishimura, K.; Ohtsubo, T.; Podolyak, Z.; Risegari, L.; Simpson, G. S.; Veskovic, M.; Walters, W. B.

    2014-04-01

    This paper reports NMR measurements of the magnetic dipole moments of two high-K isomers, the 37/2-, 51.4 m, 2740 keV state in Hf177 and the 8-, 5.5 h, 1142 keV state in Hf180 by the method of on-line nuclear orientation. Also included are results on the angular distributions of γ transitions in the decay of the Hf177 isotope. These yield high precision E2/M1 multipole mixing ratios for transitions in bands built on the 23/2+, 1.1 s, isomer at 1315 keV and on the 9/2+, 0.663 ns, isomer at 321 keV. The new results are discussed in the light of the recently reported finding of systematic dependence of the behavior of the gR parameter upon the quasiproton and quasineutron make up of high-K isomeric states in this region.

  1. Evidence for a π-junction in Nb/F/Nb' trilayers from superfluid density measurements

    NASA Astrophysics Data System (ADS)

    Lemberger, Thomas; Hinton, Michael; Steers, Stanley; Peters, Bryan; Yang, Fengyuan

    Two-coil measurements of the sheet superfluid density of Nb/NiV/Nb' trilayers reveal the transition temperatures and volume superfluid densities of both Nb layers, as functions of the thickness, dF, of the intervening ferromagnetic (F) Ni0.96V0.04 layer. The upper transition occurs when the thicker Nb layer goes superconducting and superfluid first appears. Fitting the high-temperature superfluid density to an appropriate functional form reveals the presence of a lower ``transition'' where additional superfluid appears. This event is really a crossover, but the difference is irrelevant here. There is a surprising minimum in superfluid densities of both Nb layers at dF ~ 30 Å, followed by a slow rise. This behavior suggests that a π phase difference between the Nb layers develops at dF ~ 30 Å and continues to larger F thickness. Supported in part by NSF Grant DMR-0805227.

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

    SciTech Connect

    Robert E. Barber; Karl T. Hartwig

    2012-07-07

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

  3. LU-HF Age and Isotope Systematics of ALH84001

    NASA Technical Reports Server (NTRS)

    Righter, M.; Lapen, T. J.; Brandon, A. D.; Beard, B. L.; Shafer, J. T.; Peslier, A. H.

    2009-01-01

    Allan Hills (ALH) 84001 is an orthopyroxenite that is unique among the Martian meteorites in having the oldest inferred crystallization age (approx..4.5 to 4.0 Gyr) [e.g., 1-6 and references therein 7]. Its ancient origin makes this stone a critical constraint on early history of Mars, in particular the evolution of different planetary crust and mantle reservoirs. However, because there is significant variability in reported crystallization ages, determination of initial isotope compositions is imprecise making assessment of planetary reservoirs difficult. Here we report a new Lu-Hf mineral isochron age, initial Hf-176/Hf-177 isotope composition, and inferred Martian mantle source compositions for ALH84001 that place constraints on longlived source reservoirs for the enriched shergottite suite of Martian meteorites including Shergotty, Zagami, NWA4468, NWA856, RBT04262, LAR06319, and Los Angeles. Sm-Nd isotope analyses are under way for the same mineral aliquots analyzed for Lu-Hf. The Lu-Hf system was utilized because Lu and Hf are both lithophile and refractory and are not easily redistributed during short-lived thermal pulses associated with shock metamorphism. Moreover, chromite has relatively modest Hf concentrations with very low Lu/Hf ratios [9] yielding tight constraints on initial Hf-176/Hf-177 isotope compositions

  4. Properties of Porous TiNbZr Shape Memory Alloy Fabricated by Mechanical Alloying and Hot Isostatic Pressing

    NASA Astrophysics Data System (ADS)

    Ma, L. W.; Chung, C. Y.; Tong, Y. X.; Zheng, Y. F.

    2011-07-01

    In the past decades, systematic researches have been focused on studying Ti-Nb-based SMAs by adding ternary elements, such as Mo, Sn, Zr, etc. However, only arc melting or induction melting methods, with subsequent hot or cold rolling, were used to fabricate these Ni-free SMAs. There is no work related to powder metallurgy and porous structures. This study focuses on the fabrication and characterization of porous Ti-22Nb-6Zr (at.%) shape memory alloys produced using elemental powders by means of mechanical alloying and hot isostatic pressing. It is found that the porous Ti-22Nb-6Zr alloys prepared by the HIP process exhibit a homogenous pore distribution with spherical pores, while the pores have irregular shape in the specimen prepared by conventional sintering. X-ray diffraction analysis showed that the solid solution-treated Ti-22Nb-6Zr alloy consists of both β phase and α″ martensite phase. Morphologies of martensite were observed. Finally, the porous Ti-22Nb-6Zr SMAs produced by both MA and HIP exhibit good mechanical properties, such as superior superelasticity, with maximum recoverable strain of ~3% and high compressive strength.

  5. Processing of U-2.5Zr-7.5Nb and U-3Zr-9Nb alloys by sintering process

    SciTech Connect

    Dos Santos, A. M. M.; Ferraz, W. B.; Lameiras, F. S.; Mazzeu, T. D. O.

    2012-07-01

    To minimize the risk of nuclear proliferation, there is worldwide interest in reducing fuel enrichment of research and test reactors. To achieve this objective while still guaranteeing criticality and cycle length requirements, there is need of developing high density uranium metallic fuels. Alloying elements such as Zr, Nb and Mo are added to uranium to improve fuel performance in reactors. In this context, the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN) is developing the U-2.5Zr-7.5Nb and U-3Zr-9Nb (weight %) alloys by the innovative process of sintering that utilizes raw materials in the form of powders. The powders were pressed at 400 MPa and then sintered under a vacuum of about 1x10{sup -4} Torr at temperatures ranging from 1050 deg. to 1500 deg.C. The densities of the alloys were measured geometrically and by hydrostatic method and the phases identified by X ray diffraction (XRD). The microstructures of the pellets were observed by scanning electron microscopy (SEM) and the alloying elements were analyzed by energy dispersive X-ray spectroscopy (EDS). The results obtained showed the fuel density to slightly increase with the sintering temperature. The highest density achieved was approximately 80% of theoretical density. It was observed in the pellets a superficial oxide layer formed during the sintering process. (authors)

  6. Effect of incarcerated HF on the exohedral chemical reactivity of HF@C60.

    PubMed

    Vidal, Sara; Izquierdo, Marta; Alom, Shamim; Garcia-Borràs, Marc; Filippone, Salvatore; Osuna, Sílvia; Solà, Miquel; Whitby, Richard J; Martín, Nazario

    2017-10-05

    The first chemical modification on the brand new endohedral HF@C60 is reported. In particular, the isomerization from optically pure (2S,5S)-cis-pyrrolidino[3,4:1,2][60]fullerene 2b to (2S,5R)-trans-pyrrolidino[3,4:1,2][60]fullerene 2b has been studied and compared with empty C60 (2a) and endohedral H2O@C60 (3). The comparative study shows a kinetic order for the isomerization process of H2O@C60 > HF@C60 > C60, thus confirming the effect of the incarcerated species on the zwitterionic intermediate stability.

  7. Mechanical Properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 Refractory High-Entropy Alloys (Preprint)

    DTIC Science & Technology

    2011-07-01

    stability, oxidation resistance and other properties, rather than forming the conventionally expected complex and brittle intermetallic phases. Using...W. Yeh, Annales de Chimie: Science des Materiaux , 31 (2006) 633-648. 6 J.-W. Yeh, Y.-L. Chen, S.-J. Lin, S.-K. Chen, Mater. Sci. Forum, 560 (2007

  8. High-aspect-ratio HfC nanobelts accompanied by HfC nanowires: Synthesis, characterization and field emission properties

    NASA Astrophysics Data System (ADS)

    Tian, Song; Zhang, Yulei; Ren, Jincui; Qiang, Xinfa; Zhang, Shouyang; Li, Hejun

    2017-04-01

    As a key refractory carbide, hafnium carbide (HfC) is commonly used as structural materials while the field emission (FE) application of HfC in the field of vacuum microelectronics is almost the only one for functional material purposes. Based on its outstanding physical and chemical characteristics, HfC is identified as a potential candidate with satisfactory mechanical properties and long-term and/or high-temperature FE stability for future applications in high-performance field emitters. However, the development of HfC in various FE applications is hindered because it is not facile to fabricate large-scale low-dimensional HfC field nanoemitters. Herein, High-aspect-ratio HfC nanobelts accompanied by HfC nanowires were synthesized on a large scale by a traditional and simple catalytic chemical vapor deposition (CVD) method. Classical vapor-liquid-solid (VLS) theory was employed to explain the growth of the HfC nanowires and nanobelts along axial direction. The thin HfO2 shell and thin C layer surrounding the nanostructures might give rise to the diameter fluctuation of HfC nanowires and the width increase of HfC nanobelts in lateral direction. Field emission results show that the high-aspect-ratio HfC nanobelts accompanied by the nanowires are promising field nanoemitters, which exhibit excellent field emission properties with a fairly low turn-on field of ∼1.5 V μm-1 and a low current fluctuation less than ∼10%. This suggests that HfC ceramics with high-aspect-ratio nanostructures are ideal cathode material for various field emission applications.

  9. Rapid solidification of Nb-base alloys

    NASA Technical Reports Server (NTRS)

    Gokhale, A. B.; Javed, K. R.; Abbaschian, G. J.; Lewis, R. E.

    1988-01-01

    New Nb-base alloys are of interest for aerospace structural applications at high temperatures, viz, 800 to 1650 C. Fundamental information regarding the effects of rapid solidification in achieving greatly refined microstructures, extended solid solubility, suppression of embrittling equilibrium phases, and formation of new phases is desired in a number of Nb-X alloys. The microstructures and selected properties of Nb-Si and other Nb-base alloys are presented for materials both rapidly quenched from the equilibrium liquidus and rapidly solidified following deep supercooling. Electromagnetic levitation was used to achieve melting and supercooling in a containerless inert gas environment. A variety of solidification conditions were employed including splatting or drop casting of supercooled samples. The morphology and composition of phases formed are discussed in terms of both solidification history and bulk composition.

  10. Surface Treatments of Nb by Buffered Electropolishing

    SciTech Connect

    Wu, Andy T.; Rimmer, Robert A.; Ciovati, Gianluigi; Manus, Robert L.; Reece, Charles E.; Williams, J. S.; Eozénou, F.; Jin, S.; Wang, E.

    2009-11-01

    Buffered electropolishing (BEP) is a Nb surface treatment technique developed at Jefferson Lab1. Experimental results obtained from flat Nb samples show2-4 that BEP can produce a surface finish much smoother than that produced by the conventional electropolishing (EP), while Nb removal rate can be as high as 4.67 μm/min. This new technique has been applied to the treatments of Nb SRF single cell cavity employing a vertical polishing system5 constructed at JLab as well as a horizontal polishing system at CEA Saclay. Preliminary results show that the accelerating gradient can reach 32 MV/m for a large grain cavity and 26.7 MV/m for a regular grain cavity. In this presentation, the latest progresses from the international collaboration between Peking University, CEA Saclay, and JLab on BEP will be summarized.

  11. Nanoscale decomposition of Nb-Ru-O

    NASA Astrophysics Data System (ADS)

    Music, Denis; Geyer, Richard W.; Chen, Yen-Ting

    2016-11-01

    A correlative theoretical and experimental methodology has been employed to explore the decomposition of amorphous Nb-Ru-O at elevated temperatures. Density functional theory based molecular dynamics simulations reveal that amorphous Nb-Ru-O is structurally modified within 10 ps at 800 K giving rise to an increase in the planar metal - oxygen and metal - metal population and hence formation of large clusters, which signifies atomic segregation. The driving force for this atomic segregation process is 0.5 eV/atom. This is validated by diffraction experiments and transmission electron microscopy of sputter-synthesized Nb-Ru-O thin films. Room temperature samples are amorphous, while at 800 K nanoscale rutile RuO2 grains, self-organized in an amorphous Nb-O matrix, are observed, which is consistent with our theoretical predictions. This amorphous/crystalline interplay may be of importance for next generation of thermoelectric devices.

  12. Nb3Sn Artificial Pinning Microstructures

    SciTech Connect

    Dietderich, D.R.; Scanlan, R.M.

    1996-12-12

    Extension of the APC approach to Nb{sub 3}Sn requires that a second phae be incorporated into the Nb{sub 3}Sn layer. The second phase would increase pinning strength by either reducing the grain size or by the second phase pinning the flux itwelf. The following criteria for elements to be candidates for the APC approach are: (1) they must form intermetallic compounds with Cu or Sn and (2) they must have negligible solubility in Cu and Nb or they must be strong oxide formers. many of the rare earth elements satisfy these criteria. To circumvent the large strains required to produce wires with a fine distribution of the second phase, film deposition techniques have been used. Critical current densities for Nb films doped with Ti and Y are about 4,000 A/mm{sup 2} at 6T and 4.2 K.

  13. Nb3Sn for Radio Frequency Cavities

    SciTech Connect

    Godeke, A.

    2006-12-18

    In this article, the suitability of Nb3Sn to improve theperformance of superconducting Radio-Frequency (RF)cavities is discussed.The use of Nb3Sn in RF cavitiesis recognized as an enabling technology toretain a veryhigh cavity quality factor (Q0) at 4.2 K and tosignificantly improve the cavity accelerating efficiency per unitlength(Eacc). This potential arises through the fundamental properties ofNb3Sn. The properties that are extensively characterized in theliterature are, however, mainly related to improvements in currentcarrying capacity (Jc) in the vortex state. Much less is available forthe Meissner state, which is of key importance to cavities. Relevantdata, available for the Meissner state is summarized, and it is shown howthis already validates the use of Nb3Sn. In addition, missing knowledgeis highlighted and suggestions are given for further Meissner statespecific research.

  14. Synthesis, structures and photocatalytic activities of microcrystalline ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) powders

    SciTech Connect

    Wu, Weiming; Liang, Shijing; Wang, Xiaowei; Bi, Jinhong; Liu, Ping; Wu, Ling

    2011-01-15

    Microcrystalline ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) photocatalysts were successfully synthesized by a citrate complex method. The as-prepared samples were characterized by the X-ray diffraction technique, BET surface area analysis, UV-vis diffuse reflectance spectrum, transmission electron microscopy, X-ray photoelectron spectroscopy and inductively coupled plasma-atomic emission spectrometry. The results indicated that single-phase orthorhombic SrBi{sub 2}Nb{sub 2}O{sub 9} could be obtained after being calcined above 650 {sup o}C, while BaBi{sub 2}Nb{sub 2}O{sub 9} was tetragonal. Based on the diffuse reflectance spectra, the band gaps of the obtained samples were calculated to be around 3.34-3.54 eV. For the photocatalytic redox reaction of methyl orange under UV-light irradiation, SrBi{sub 2}Nb{sub 2}O{sub 9} exhibited higher photocatalytic activity than that of BaBi{sub 2}Nb{sub 2}O{sub 9}. The effects of the crystallinities, BET surface areas and crystal structures of the samples on the photocatalytic activities were discussed in detail. -- Graphical abstract: Aurivillius-type ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) photocatalysts were successfully synthesized by a citrate complex method. SrBi{sub 2}Nb{sub 2}O{sub 9} and BaBi{sub 2}Nb{sub 2}O{sub 9} showed different photocatalytic performances in the redox reaction of methyl orange (MO) under UV-light ({lambda}=254 nm), due to the different crystal structures of ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba). Display Omitted

  15. The initial Hf isotopic composition of the Earth

    NASA Astrophysics Data System (ADS)

    Bouvier, A.; Boyet, M. M.; Vervoort, J. D.; Patchett, P. J.

    2011-12-01

    One area of considerable activity in trying to understand the formation and evolution of Earth's crust is the isotopic analysis of Hf in parallel with Sm-Nd and U-Pb zircon studies, either to constrain early crustal growth and evolution [1], or as a complement to detrital zircon studies [2]. The 176Lu decay constant deduced from early planetary and Earth materials have different values. It has been suggested that a period of irradiation in the early Solar System affected the 176Hf production rate in meteoritic and planetary materials [3,4]. In this scenario, the initial Hf isotopic composition of the Solar System and the Earth would be ~4 ∈Hf units lower, affecting tremendously the interpretation of the differentiation history of the early Earth. We investigated Lu-Hf compositions of calcium-aluminum-rich inclusions, the oldest known objects of the Solar System dated at 4568 Ma [5], to assess the possibility of neutrino irradiation in the solar nebula. Here we report high-precision 176Lu-176Hf systematics of leached and unleached, and spiked and unspiked, bulk fractions and mineral separates of 6 individual CAIs from 2 CV3 chondrites. Isotopic analyses were carried out by Neptune MC-ICPMS at ASU. Analytical details are in [6,7]. The unspiked Hf fractions reveal stable isotope anomalies of μ178Hf= 20 ± 6 and μ180Hf= 31 ± 9 (2SD) for the CAI B4 fractions (n=3) and μ178Hf= -4 ± 10 and μ180Hf= 2 ± 10 (n=2) for BCR-2 relative to the JMC 475 Hf standard. Further high-precision analysis of unspiked Sm and Nd fractions of the samples will be made to correct from nucleosynthetic or neutron capture anomalies [8]. Such Hf stable isotopic anomalies predict no more than 50ppm correction on 176Hf/177Hf. At this stage, we have thus regressed together the spiked and unspiked Hf compositions of CAI fractions (n=13) for isochron calculations. The slope of the Lu-Hf isochron is 0.0882 ± 0.0026 (2SD) which corresponds to a 176Lu decay constant value of 1.852 (± 0.052) ×10

  16. HF (High-Frequency) Channel Probe.

    DTIC Science & Technology

    1985-05-31

    ionosphere can be calculated from the relation [Basler and Scott, 19731 (~ 2R(R + [’ -Cos (D-)] +h’(5.1) where R is the radius of the earth (6359 km for...emanating from the earth at high latitudes are a convected sunward on the dawn- and dusk-sides of the auroral zones. When they reach the noon sector, the...for refracting HF radio waves back to the earth , the plasma is essentially swept along with the flux tubes delineated by the magnetic field lines. The

  17. Absence of superconductivity in NbB

    NASA Astrophysics Data System (ADS)

    Abud, F.; Correa, L. E.; Souza Filho, I. R.; Machado, A. J. S.; Torikachvili, M. S.; Jardim, R. F.

    2017-09-01

    A systematic study of the superconducting properties in a series of arc-melted Nb-B samples close to the 1:1 composition was carried out. Powder x-ray diffraction (XRD) shows that all samples are both nonstoichiometric and composed of two crystal phases: a majority orthorhombic NbB-type phase and traces of a minor body-centered-cubic Nb-rich phase Nbs s with stoichiometry close to Nb0.98B0.02 . The emergence of superconductivity near Tc˜9.0 K was inferred from magnetization data in chunk and powder samples. However, the very small superconducting volume fractions are inconsistent with superconductivity arising from the major NbB phase. On the other hand, micrographs of selected samples clearly show that the minority Nbs s forms a three-dimensional network of filaments that meander around the grains of the majority phase, forming a percolation path. Here we report the superconductivity of the Nbs s phase and argue that the low superconducting volume fraction of nonstoichiometric NbB and zero resistance are due to the filaments of the minority phase. The electronic contribution to the entropy of the superconducting state, yielded from an analysis using the α model for single-band systems, indicates that the Sommerfeld constant of the arc-melted samples is close to the values found in nonsuperconducting NbB. Micrograph, XRD, and bulk measurements of magnetization, electrical resistivity, and specific heat suggest that the superconducting state in the NbB samples bearing some Nbs s minority phase is due to the latter.

  18. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and dear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiNbO3 Cylinder Fiber is shown. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a 'D'. The core with its surrounding LiNbO, layer would be close to the flat portion of the 'D' shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO, layer. To our knowledge this is the first ever LiNbO, Cylinder Fiber made.

  19. Manufacturing Optimization (MO) System

    DTIC Science & Technology

    1994-02-28

    are passed back to the cross functional (top level) team for their negotiation. 14. SUBJECT TERMS 15. NUMBER OF PAGES 130 DFMA , Process Modeling...Technology ...................................... 12 3.2 Collaborative DFMA Tool .................................................. 12 3.3 Prototype...technologies in Design For Manufacturing and Assembly ( DFMA ). This R&D effort was centralized around the developm.nt of a DFMA analysis tool. The MO

  20. Positron-HF collisions: Prediction of a weakly bound state

    SciTech Connect

    Danby, G.; Tennyson, J.

    1988-12-12

    Ab initio molecular R-matrix calculations are presented for collisions of low-energy positrons with the hydrogen fluoride molecule as a function of HF internuclear separation. Calculations presented are for ..sigma.. total symmetry with and without polarization effects. These calculations mirror recent electron-HF scattering calculations by Morgan and Burke. Strong evidence is obtained for the presence of a bound state of the e/sup +/HF system. The experimental consequences of this result are discussed.

  1. Is the Donggou Porphyry Mo deposit in East Qinling Mo Belt, China Highly Enriched in Fluorine?

    NASA Astrophysics Data System (ADS)

    Xiao, Ping; Friehauf, Kurt; Wang, Wei; Yang, Guoliang; Yun, Long

    2013-04-01

    The Donggou porphyry Mo deposit is the third largest Mo producer after the Jinduicheng and Nannihu deposits in the East Qinling Molybdenum Belt (EQMB), China. Surrounded by a series of hydrothermal vein type deposits (Pb, Zn, Cu and Ag) (Mao et al., 2008, 2009), the deposit has a current proven reserve of 0.717 million tons of molybdenum metal with an average grading of 0.12%. The previous published data show that the Cretaceous Donggou molybdenum deposit and the genetically related porphyry stock formed around the same time period; the alumina saturation index diagram suggests that these intrusions belong to metaluminous to weak peralumnious granitiods; REE chondrite patter of the Donggou porphyry stock shows that they are more enriched in light incompatible elements than the heavy incompatible elements, indicating obvious fractionation between the light incompatible elements and heavy incompatible elements, and moderate to strong Eu anomaly; the trace elements spider diagram demonstrates that the Donggou porphyry stock are enriched in Large-ion lithophile elements (Rb, K, U, Th etc.) and High field strength elements (Zr, Nb, Ta etc.), but depleted in Sr, Ba and P. Three main stages were determined during the mineralization: Early (Pre-molybdenum) Mineralization, Molybdenum Mineralization, and Post-molybdenum Mineralization. Accompanied by hydrothermal biotite alteration activities, the thin and discontinuous K-feldspar-Quartz veins characterize the early molybdenite-barren stages. The molybdenum mineralization stage has two mineralization processes, separated by molybdenite-barren, apatite-rich veins. Microphotographic study shows that the mineralization stage was enriched in fluorine, which is reflected by abundance of fluorite in the Mo-bearing veins and in molybdenite-barren blue apatite veins. Following the molybdenum-bearing stage and apatite-rich veins, K-feldspar-Chlorite-Quartz-Pyrite veins occur, indicating the end of the entire mineralization. The

  2. Doping against the native propensity of MoS₂: Degenerate hole doping by cation substitution

    SciTech Connect

    Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh; Fu, Deyi; Park, Joonsuk; Jung, Hee Joon; Chen, Yabin; Ko, Changhyun; Jang, Chaun; Sun, Yinghui; Sinclair, Robert; Chang, Joonyeon; Tongay, Sefaattin; Wu, Junqiao

    2014-12-10

    Layered transition metal dichalcogenides (TMDs) draw much attention as the key semiconducting material for two-dimensional electrical, optoelectronic, and spintronic devices. For most of these applications, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction. However, typically only one type of doping is stable for a particular TMD. For example, molybdenum disulfide (MoS₂) is natively an n-type presumably due to omnipresent electron-donating sulfur vacancies, and stable/controllable p-type doping has not been achieved. The lack of p-type doping hampers the development of charge-splitting p–n junctions of MoS₂, as well as limits carrier conduction to spin-degenerate conduction bands instead of the more interesting, spin-polarized valence bands. Traditionally, extrinsic p-type doping in TMDs has been approached with surface adsorption or intercalation of electron-accepting molecules. However, practically stable doping requires substitution of host atoms with dopants where the doping is secured by covalent bonding. In this work, we demonstrate stable p-type conduction in MoS₂ by substitutional niobium (Nb) doping, leading to a degenerate hole density of ~3 × 10¹⁹ cm⁻³. Structural and X-ray techniques reveal that the Nb atoms are indeed substitutionally incorporated into MoS₂ by replacing the Mo cations in the host lattice. van der Waals p–n homojunctions based on vertically stacked MoS₂ layers are fabricated, which enable gate-tunable current rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from the demonstrated substitutional bipolar doping of MoS₂. From the miscibility of dopants with the host, it is also expected that the synthesis technique demonstrated here can be generally extended to other TMDs for doping against their native unipolar propensity.

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

    PubMed

    Takahashi, Masatoshi; Kikuchi, Masafumi; Takada, Yukyo

    2016-01-01

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

  4. Neutron yields from 435 MeV/nucleon Nb stopping in Nb and 272 MeV/nucleon Nb stopping in Nb and Al

    NASA Technical Reports Server (NTRS)

    Heilbronn, L.; Madey, R.; Elaasar, M.; Htun, M.; Frankel, K.; Gong, W. G.; Anderson, B. D.; Baldwin, A. R.; Jiang, J.; Keane, D.; McMahan, M. A.; Rathbun, W. H.; Scott, A.; Shao, Y.; Watson, J. W.; Westfall, G. D.; Yennello, S.; Zhang, W. M.; Miller, J. (Principal Investigator)

    1998-01-01

    Neutron fluences were measured from 435 MeV/nucleon Nb ions stopping in a Nb target and 272 MeV/nucleon Nb ions stopping in targets of Nb and Al for neutrons above 20 MeV and at laboratory angles between 3 degrees and 80 degrees. The resultant spectra were integrated over angles to produce neutron energy distributions and over energy to produce neutron angular distributions. The total neutron yields for each system were obtained by integrating over the angular distributions. The angular distributions from all three systems are peaked forward, and the energy distributions from all three systems show an appreciable yield of neutrons with velocities greater than the beam velocity. Comparison of the total neutron yields from the two Nb + Nb systems suggests that the average neutron multiplicity decreases with decreasing projectile energy. Comparison of the total yields from the two 272 MeV/nucleon systems suggests that the total yields show the same dependence on projectile and target mass number as do total inclusive neutron cross sections. The data are compared with Boltzmann-Uehling-Uhlenbeck model calculations.

  5. Neutron yields from 435 MeV/nucleon Nb stopping in Nb and 272 MeV/nucleon Nb stopping in Nb and Al

    NASA Technical Reports Server (NTRS)

    Heilbronn, L.; Madey, R.; Elaasar, M.; Htun, M.; Frankel, K.; Gong, W. G.; Anderson, B. D.; Baldwin, A. R.; Jiang, J.; Keane, D.; hide

    1998-01-01

    Neutron fluences were measured from 435 MeV/nucleon Nb ions stopping in a Nb target and 272 MeV/nucleon Nb ions stopping in targets of Nb and Al for neutrons above 20 MeV and at laboratory angles between 3 degrees and 80 degrees. The resultant spectra were integrated over angles to produce neutron energy distributions and over energy to produce neutron angular distributions. The total neutron yields for each system were obtained by integrating over the angular distributions. The angular distributions from all three systems are peaked forward, and the energy distributions from all three systems show an appreciable yield of neutrons with velocities greater than the beam velocity. Comparison of the total neutron yields from the two Nb + Nb systems suggests that the average neutron multiplicity decreases with decreasing projectile energy. Comparison of the total yields from the two 272 MeV/nucleon systems suggests that the total yields show the same dependence on projectile and target mass number as do total inclusive neutron cross sections. The data are compared with Boltzmann-Uehling-Uhlenbeck model calculations.

  6. Structural transitions in LiNbO[sub 3] and NaNbO[sub 3

    SciTech Connect

    Mehta, A.; Navrotsky, A. ); Kumada, Nobahiro; Kinomura, Nobukazu )

    1993-01-01

    The ilmenite form of NaNbO[sub 3] was synthesized hydrothermally. The ilmenite form of LiNbO[sub 3] was synthesized by ion exchanging the ilmenite form of NaNbO[sub 3]. These transform irreversibly to the stable orthohombic form of NaNbO[sub 3] and the lithium niobate form of LiNbO[sub 3] at temperatures higher than 900 K. The energetics of the transformation was studied through differential scanning calorimetry and transposed temperature drop calorimetry. The calorimetric results show that the ilmenite form of NaNbO[sub 3] is metastable by 5.5 ([+-] 1.3) kJ/mole and the ilmenite form of LiNbO[sub 3] is metastable by 9.8 ([+-] 4.1) kJ/mole. Differential scanning calorimetry suggests that the LiNbO[sub 3] transformation occurs in two steps. The enthalpy difference between the ilmenite and the lithium niobate structures for LiNbO[sub 3] is compared with the difference in the lattice energies of the two structures predicted by H.J. Donnerberg, S.M. Tomlinson, C.R.A. Catlow, and O.F. Schirmer on the basis of an ionic model and is in good agreement with the calculations. This small energy difference lends credence to the LiNbO[sub 3] defect model proposed by D.M. Smyth (ISAF '86 - proceedings of the sixth IEEE international symposium on applications of ferroelectrics, p. 115, June 1986). The determination of the metastability of the ilmenite form of NaNbO[sub 3] puts a limit on the tolerance factor for the stability of the perovskite structure.

  7. Epitaxial Thin Films of Y doped HfO2

    NASA Astrophysics Data System (ADS)

    Serrao, Claudy; Khan, Asif; Ramamoorthy, Ramesh; Salahuddin, Sayeef

    Hafnium oxide (HfO2) is one of a few metal oxides that is thermodynamically stable on silicon and silicon oxide. There has been renewed interest in HfO2 due to the recent discovery of ferroelectricity and antiferroelectricity in doped HfO2. Typical ferroelectrics - such as strontium bismuth tantalate (SBT) and lead zirconium titanate (PZT) - contain elements that easily react with silicon and silicon oxide at elevated temperatures; therefore, such ferroelectrics are not suited for device applications. Meanwhile, ferroelectric HfO2 offers promise regarding integration with silicon. The stable phase of HfO2 at room temperature is monoclinic, but HfO2 can be stabilized in the tetragonal, orthorhombic or even cubic phase by suitable doping. We stabilized Y-doped HfO2 thin films using pulsed laser deposition. The strain state can be controlled using various perovskite substrates and controlled growth conditions. We report on Y-doped HfO2 domain structures from piezo-response force microscopy (PFM) and structural parameters via X-ray reciprocal space maps (RSM). We hope this work spurs further interest in strain-tuned ferroelectricity in doped HfO2.

  8. Mitigating Doppler shift effect in HF multitone data modem

    NASA Astrophysics Data System (ADS)

    Sonlu, Yasar

    1989-09-01

    Digital communications over High Frequency (HF) radio channels are getting important in recent years. Current HF requirements are for data transmission at rates 2.4 kbps or more to accommodate computer data links and digital secure voice. HF modems which were produced to meet these speeds are, serial modems and parallel modems. On the other hand, the HF sky-wave communication medium, the ionosphere, has some propagation problems such as multipath and Doppler shift. The effect of Doppler shift in a parallel modem which employs Differential Quadrature Phase Shift Keying (DQPSK) modulation is considered and a correction method to mitigate the Doppler Shift effect is introduced.

  9. HF-stabilization of plasma with sharp boundary

    NASA Astrophysics Data System (ADS)

    Kotelnikov, I. A.; Yakovchenko, S. G.

    The effect of HF natural oscillations of a plasma filament in a conducting cylindrical housing on the flute disturbance stability is investigated. Flute development leads to HF oscillation frequency (omega) variation connected with the energy W variation by the condition of constancy of the adiabatic invariant W/(omega) = const. The last is conserved owing to relative slow variations of flute disturbances. The adiabatic approximation used permits one to obtain simple criteria for flute instability stabilization by a HF field. HF oscillations of a plasma with a sharp boundary are considered.

  10. Microstructure and mechanical properties of as-cast Ti-Mo-xCr alloy for biomedical application

    NASA Astrophysics Data System (ADS)

    Senopati, Galih; Sutowo, Cahya; P. A., I. Nyoman Gede; Utomo, Edy Priyanto; Amal, M. Ikhlasul

    2016-02-01

    Beta Ti alloys is one of the most attractive biomaterials due to their better corrosion resistance, biocompatibility, greater specific strength and lower elastic modulus than stainless steels and Co-Cr based alloys. Cr is the strong beta Ti stabilizer and has lower density than Nb, Sn and Ta. In this study As cast Ti-12Mo and Ti-12-xCr with Cr content range 1, 3, 5, and 10 wt.% prepared by using arc melting vacuum-pressure casting were investigated. The as cast Ti-Mo and Ti-Mo-xCr examined using X-ray diffraction (XRD), optical microscope (OM) and Vickers hardness tester. Experimental result indicate Ti-12Mo-xNb match for β phase peaks but TiO2 phase occurred in all alloys. The vickers hardness values of all the Ti-12Mo-xCr alloys are higher than HV 1000. The optical microscope investigation indicate Cr content influence Ti-Mo-xCr microstructure.

  11. Electron holography on HfO2/HfO2-x bilayer structures with multilevel resistive switching properties

    NASA Astrophysics Data System (ADS)

    Niu, G.; Schubert, M. A.; Sharath, S. U.; Zaumseil, P.; Vogel, S.; Wenger, C.; Hildebrandt, E.; Bhupathi, S.; Perez, E.; Alff, L.; Lehmann, M.; Schroeder, T.; Niermann, T.

    2017-05-01

    Unveiling the physical nature of the oxygen-deficient conductive filaments (CFs) that are responsible for the resistive switching of the HfO2-based resistive random access memory (RRAM) devices represents a challenging task due to the oxygen vacancy related defect nature and nanometer size of the CFs. As a first important step to this goal, we demonstrate in this work direct visualization and a study of physico-chemical properties of oxygen-deficient amorphous HfO2-x by carrying out transmission electron microscopy electron holography as well as energy dispersive x-ray spectroscopy on HfO2/HfO2-x bilayer heterostructures, which are realized by reactive molecular beam epitaxy. Furthermore, compared to single layer devices, Pt/HfO2/HfO2-x /TiN bilayer devices show enhanced resistive switching characteristics with multilevel behavior, indicating their potential as electronic synapses in future neuromorphic computing applications.

  12. Constitution and thermodynamics of the Mo-Ru, Mo-Pd, Ru-Pd and Mo-Ru-Pd systems

    NASA Astrophysics Data System (ADS)

    Kleykamp, H.

    1989-09-01

    The constitution of the Mo-Ru, Mo-Pd and Ru-Pd systems was reinvestigated between 800 and 2000°C. The Mo-Ru system is of the eutectic type, a σ-phase Mo 5Ru 3 exists between 1915 and 1143°C. The Mo-Pd system is characterized by an hcp phase Mo 9Pd 11 and by two peritectic reactions, β- Mo( Pd) + L = Mo9Pd11andMo9Pd11 + L = α- Pd( Mo). Mo 9Pd 11 decomposes eutectoidally at 1370°C. The Ru-Pd system is simple peritectic. The continuous series of the hcp solid solutions between Mo 9Pd 11 and ɛ-Ru(Mo, Pd) in the ternary Mo-Ru-Pd system observed at 1700°C are suppressed below 1370°C near the Mo-Pd boundary system by the formation of a narrow α + β + ɛ three-phase field. Relative partial molar Gibbs energies of Mo, Mo and Ru in the respective binary systems and of Mo in the ternary system were measured by the EMF method with a Zr(Ca)O 2 electrolyte. xsΔ ḠMo∞ quantities were evaluated at 1200 K which give -43 kJ/mol Mo in Ru and -94 kJ/mol Mo in Pd at infinite dilution. Gibbs energies of formation of the Mo-Ru and Mo-Pd systems were calculated.

  13. Metastable phase formation in Be-Nb intermetallic compounds

    SciTech Connect

    Brimhall, J.L.; Charlot, L.A.; Bruemmer, S.M.

    1990-11-01

    Amorphous structures or metastable crystalline phases are produced in sputter-deposited Beryllium-Niobium (Be-Nb) alloys (5-15 at. % Nb) depending on the substrate temperature. The metastable phases transform to the stable Be{sub 12}Nb, Be{sub 17}Nb{sub 2}Nb phases on annealing at temperatures >800{degree}C. No Be{sub 5}Nb phase was found and the Be{sub 17}Nb{sub 2} phase is stable to low temperature. The Be{sub 12}Nb phase appeared to have a stoichiometric range of about 5.5 to 7.7 at. % Nb. The formation of the metastable phases is consistent with current models and theories. 17 refs., 1 fig., 2 tabs.

  14. Use of Mo/ller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules

    SciTech Connect

    Dunning, T.H. , Jr.; Peterson, K.A.

    1998-03-01

    The convergence of Mo/ller{endash}Plesset perturbation expansions (MP2{endash}MP4/MP5) for the spectroscopic constants of a selected set of diatomic molecules (BH, CH, HF, N{sub 2}, CO, and F{sub 2}) has been investigated. It was found that the second-order perturbation contributions to the spectroscopic constants are strongly dependent on basis set, more so for HF and CO than for BH. The MP5 contributions for HF were essentially zero for the cc-pVDZ basis set, but increased significantly with basis set illustrating the difficulty of using small basis sets as benchmarks for correlated calculations. The convergence behavior of the {ital exact} Mo/ller{endash}Plesset perturbation expansions were investigated using estimates of the {ital complete basis set limits} obtained using large correlation consistent basis sets. For BH and CH, the perturbation expansions of the spectroscopic constants converge monotonically toward the experimental values, while for HF, N{sub 2}, CO, and F{sub 2}, the expansions oscillate about the experimental values. The perturbation expansions are, in general, only slowly converging and, for HF, N{sub 2}, CO, and F{sub 2}, appear to be far from convergence at MP4. In fact, for HF, N{sub 2}, and CO, the errors in the calculated spectroscopic constants for the MP4 method are {ital larger} than those for the MP2 method (the only exception is D{sub e}). The current study, combined with other recent studies, raises serious doubts about the use of Mo/ller{endash}Plesset perturbation theory to describe electron correlation effects in atomic and molecular calculations. {copyright} {ital 1998 American Institute of Physics.}

  15. Microvasculatory reaction of skeletal muscle to Ti-15Mo in comparison to well-established titanium alloys.

    PubMed

    Pennekamp, Peter H; Wimmer, Markus A; Eschbach, Lukas; Burian, Björn; Koch, Peter; Kraft, Clayton N

    2007-10-01

    Beta-titanium alloys such as Ti-15Mo are increasingly utilized for orthopaedic implant applications because of their excellent corrosion resistance and low elastic modulus. Particularly in osteosynthesis, where the biomaterial stands in direct contact to soft tissue, undesirable biologic reactions may have severe consequences especially in the vulnerable state of trauma and added iatrogenic damage to the microvascular system. In a comparative study we therefore assessed in vivo nutritive perfusion and leukocytic response of striated muscle to the biomaterials Ti-15Mo, Ti-6Al-4V and Ti-6Al-7Nb, thereby drawing conclusions on their short term inflammatory potential. Utilizing the well established skinfold chamber preparation in the hamster and intravital fluorescence microscopy, we could not demonstrate any significant discrepancies between the three alloys. All metals induced an initial moderate inflammatory response in skeletal muscle microcirculation. While recuperation of animals treated with Ti-15Mo and Ti-6Al-7Nb was prompt, we documented a slightly more sluggish recovery of Ti-6Al-4V treated animals. A gross toxicity was not observed for any of the alloys. Conclusively, Ti-15Mo, Ti-6Al-4V and Ti-6Al-7Nb induce an only transient inflammatory answer of the striated muscle microvascular system. Our results indicate that on the microvascular level the tested bulk Ti-alloys do not cause enduring biologic impairment in muscle.

  16. Anti-P2 structured Na0.5NbO2 and its negative strain effect

    SciTech Connect

    Wang, Xuefeng; Gao, Yurui; Shen, Xi; Li, Yejing; Kong, Qingyu; Lee, Sungsik; Wang, Zhaoxiang; Yu, Richeng; Hu, Yong-Sheng; Chen, Liquan

    2015-01-01

    Layer-structured oxides are studied for their essential roles in various applications (e.g. high-energy batteries and superconductors) due to their distinctive physical structures and chemical properties. Most of the layered AxMO2 (A = alkali ions, M = transition metals) are composed of MO6 octahedra and various A coordination polyhedra such as octahedra (O), tetrahedra (T) or trigonal prisms (P). Herein, we report a new layered oxide material, anti-P2 Na0.5NbO2, which is composed of NbO6 trigonal prisms and NaO6 octahedra. Its lattice shrinks as sodium (Na) ions are intercalated in it and expands when the ions are deintercalated (a negative volume or strain effect). Analysis by X-ray absorption spectroscopy and density functional theory (DFT) calculations indicates that the negative volume effect is mainly a result of the enhanced interlayer (Na–O) interaction and the weakened Nb– Nb and Nb–O bonding in the O–Nb–O slab upon Na intercalation. Moreover, Na0.5NbO2 exhibits high structural stability, a long cycle life and prominent rate performance for Na-ion batteries. These distinctive features make Na0.5NbO2 an ideal ‘‘volume buffer’’ to compensate for positive-strain electrode materials. These findings will arouse great interest in anti-P2 layered oxides for materials science and applications, and enrich the understanding of novel negative-strain materials for energy storage either as excellent independent active electrode materials or as volume buffers for constructing long-life composite electrodes made of positive-strain materials.

  17. Large enhanced perpendicular magnetic anisotropy in CoFeB/MgO system with the typical Ta buffer replaced by an Hf layer

    NASA Astrophysics Data System (ADS)

    Liu, T.; Cai, J. W.; Sun, Li

    2012-09-01

    By systematically comparing the magnetic properties of the Ta/CoFeB/Ta and MgO/CoFeB/MgO structures with and without a submonolayer of MgO, Ta, V, Nb, Hf and W inserted in the middle of the CoFeB layer, we have proved that the observed perpendicular magnetic anisotropy (PMA) in Ta/CoFeB/MgO sandwiches is solely originated from the CoFeB/MgO interface with the Ta buffer acting to enhance the CoFeB/MgO interface anisotropy significantly. Moreover, replacing Ta with Hf causes the CoFeB/MgO interfacial PMA further enhanced by 35%, and the CoFeB layer with perpendicular magnetization has a much larger critical thickness accordingly, leaving a wider thickness margin for the CoFeB/MgO-based perpendicular magnetic tunnel junction optimization. Also the sputter deposited thin Hf films are amorphous with low surface roughness. These results will ensure the Hf/CoFeB/MgO more promising material system for PMA device development.

  18. Ferroelectricity of nondoped thin HfO2 films in TiN/HfO2/TiN stacks

    NASA Astrophysics Data System (ADS)

    Nishimura, Tomonori; Xu, Lun; Shibayama, Shigehisa; Yajima, Takeaki; Migita, Shinji; Toriumi, Akira

    2016-08-01

    We report on the impact of TiN interfaces on the ferroelectricity of nondoped HfO2. Ferroelectric properties of nondoped HfO2 in TiN/HfO2/TiN stacks are shown in capacitance-voltage and polarization-voltage characteristics. The Curie temperature is also estimated to be around 500 °C. The ferroelectricity of nondoped HfO2 clearly appears by thinning HfO2 film down to ˜35 nm. We directly revealed in thermal treatments that the ferroelectric HfO2 film on TiN was maintained by covering the top surface of HfO2 with TiN, while it was followed by a phase transition to the paraelectric phase in the case of the open surface of HfO2. Thus, it is concluded that the ferroelectricity in nondoped HfO2 in this study was mainly driven by both of top and bottom TiN interfaces.

  19. Hf isotope and concentration systematics of the Mariana arc

    NASA Astrophysics Data System (ADS)

    Tollstrup, D. L.; Gill, J. B.

    2004-12-01

    Negative Hf concentration anomalies are common but little-discussed geochemical features of island arcs. Because both light rare earth elements (LREE) and Hf may be mobile even in `fluid-dominated' island arcs, it is important to relate their isotopic and elemental ratios to models of slab-mantle mixing. We report new Hf isotope and trace element data for K-rich submarine basalts from the Kasuga seamounts located 10-20 km behind the volcanic front of the southern Northern Seamount Province (NSP) of the Mariana arc. These data, when combined with published data for other Mariana samples, span the full range from low-K tholeiites to high-K shoshonites. Rear-arc Kasuga seamounts seamounts of the NSP have lower 143Nd/144Nd and 176Hf/177Hf ratios than arc-front volcanoes of the Mariana Central Island Province (CIP). Within the CIP, Hf concentration anomalies correlate positively with 176Hf/177Hf ratios. Radiogenic Hf and little or no concentration anomalies characterize samples from fluid-dominated volcanoes (Guguan and Maug), whereas samples from sediment-melt dominated volcanoes (Anatahan and Sarigan) have less radiogenic Hf and larger concentration anomalies. Samples from the Kasuga and Hiyoshi seamounts have even larger negative concentration anomalies and less radiogenic Hf, although the two are not always correlated. These data are consistent with mixing between a depleted mantle and a partial melt of subducted sediment that is saturated with trace accessory phases including zircon, rutile, and monazite. A more volcaniclastic source is needed for the NSP than the CIP. Implications of these findings are three-fold. Partial melts of subducting sediment affect the HFSE and REE budgets of even fluid-dominated island arcs. Slab temperatures must be high enough for a peraluminous melt to be present, even where old, cold slabs are subducting. Refractory accessory phases have the potential to become exotic "nuggets" in the convecting mantle, potentially controlling the

  20. Submicron area NbN/MgO/NbN tunnel junctions for SIS mixer applications

    NASA Technical Reports Server (NTRS)

    Leduc, H. G.; Judas, A.; Cypher, S. R.; Bumble, B.; Hunt, B. D.

    1991-01-01

    The development of submicron area mixer elements for operation in the submillimeter wave range is discussed. High-current-density NbN/MgO/NbN tunnel junctions with areas down to 0.1 sq microns have been fabricated in both planar and edge geometries. The planar junctions were fabricated from in situ deposited trilayers using electron-beam lithography to pattern submicron area mesas. Modifications of fabrication techniques used in larger-area NbN tunnel junctions are required and are discussed. The NbN/MgO/NbN edge junction process using sapphire substrates has been transferred to technologically important quartz substrates using MgO buffer layers to minimize substrate interactions. The two junction geometries are compared and contrasted in the context of submillimeter wave mixer applications.

  1. NbN/MgO/NbN SIS tunnel junctions for submm wave mixers

    NASA Technical Reports Server (NTRS)

    Stern, J. A.; Hunt, B. D.; Leduc, H. G.; Judas, A.; Mcgrath, W. R.; Cypher, S. R.; Khanna, S. K.

    1989-01-01

    The authors report on the fabrication and testing of all-refractory NbN/MgO/NbN SIS (superconductor-insulator-superconductor) tunnel junctions for use as high-frequency mixers. Progress in the development of techniques for the fabrication of submicron-area tunnel junctions is described. Junction structures which have been investigated include mesa, crossline, and edge geometries. Using reactive sputtering techniques, NbN tunnel junctions with critical currents in excess of 104 A/sq cm have been fabricated with Vm values as high as 65 mV and areas down to 0.1 sq micron. Specific capacitance measurements on NbN/MgO/NbN mesa-type tunnel junctions give values in the range 60-90 fF/sq micron. These SIS tunnel junctions have been integrated with antennas and coupling structures for mixer tests in a waveguide receiver at 207 GHz. Preliminary mixer results are reported.

  2. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    Kornreich, Philip

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and clear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiN bo, Cylinder Fiber. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a "D". The core with its surrounding LiNbO, layer would be close to the flat portion of the "D" shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO3 layer. To our knowledge this is the first ever LiNbO3 Cylinder Fiber made.

  3. Thermal stability of the nickel-base superalloy B-1900 + Hf with tantalum variations

    NASA Technical Reports Server (NTRS)

    Harmon, B. S.; Pletka, B. J.; Janowski, G. M.

    1987-01-01

    The microstructure of the solutionized and aged nickel-base superalloy B-1900 + Hf was examined after additional aging at 982 C for 72, 250, and 1000 hours. Alloy compositions that were examined contained the normal 1.34 at. pct (4.3 wt pct) Ta as well as 0.67 at. pct and zero Ta levels. The gamma-prime phase agglomerated, became platelike in morphology, and decreased in volume fraction for all three alloys throughout the aging treatments. Changes which occurred in the gamma and gamma-prime phase compositions were nearly complete after 72 hours of aging while changes in the MC carbide composition continued throughout the aging. Blocky M6C carbides precipitated along the grain boundaries of all three alloys in the first 72 hours of aging. In addition, an acicular form of this Mo/Cr/Ni-rich carbide developed in the intragranular regions of the Ta-containing alloys.

  4. Coupling with a narrow-band-gap semiconductor for the enhancement of visible-light photocatalytic activity: preparation of Bi2OxS3-x/Nb6O17 and application to the degradation of methyl orange.

    PubMed

    Yan, Gang; Shi, Hongfei; Tan, Huaqiao; Zhu, Wanbin; Wang, Yonghui; Zang, Hongying; Li, Yangguang

    2016-09-21

    A series of 2D sheet Bi2OxS3-x/Nb6O17 (Bi/Nb) heterostructure photocatalysts were synthesized through a facile hydrothermal vulcanization method between Bi(3+) exchanged K4Nb6O17 and thiourea (NH2CSNH2). XRD results confirm that the heterostructures were composed of Bi2OxS3-x and Nb6O17. HRTEM indicates that Bi2OxS3-x was successfully intercalated into layers of K4Nb6O17. Such large interfacial contacts can be beneficial to the transfer and separation of photogenerated charge carriers. Thus the composites exhibit good photocatalytic performance for the degradation of methyl orange (MO) under visible light irradiation (λ > 400 nm), which is superior to that of both precursors, pure Bi2S3 and K4Nb6O17. Radical capture tests reveal that photogenerated holes h(+) and ˙O2(-) play important roles in the photodegradation of MO. And based on the UV-visible diffuse reflectance spectra (DRS) and the band gap of the semiconductors, the mechanism of the enhanced visible light photocatalytic activity of these composites has been proposed.

  5. Beta Decay Half-Life of 84Mo

    NASA Astrophysics Data System (ADS)

    Stoker, J. B.; Mantica, P. F.; Bazin, D.; Bickley, A.; Becerril, A.; Crawford, H.; Cruse, K.; Estrade, A.; Mosby, M.; Guess, C. J.; Hitt, G. W.; Lorusso, G.; Matos, M.; Meharchand, R.; Minamisono, K.; Montes, F.; Pereira, J.; Perdikakis, G.; Pinter, J. S.; Schatz, H.; Vredevoogd, J.; Zegers, R. G. T.

    2008-10-01

    The β-decay half-life ^84Mo governs leakage out of the Zr-Nb cycle, a high temperature rp-process endpoint in x-ray binaries [1]. Treatment of the background and the poor statistics accumulated during the previous half-life measurement leave questions about statistical and systematic errors. We have remeasured the half-life of ^84Mo using a concerted setup of the NSCL β-Counting System [3] and 16 detectors from the Segmented Germanium Array [4]. We will report the half-life for ^84Mo, deduced using 40 times the previous sample size. The application of the NSCL RF Fragment Separator to remove unwanted isotopes, and hence reduce background for the half-life measurement, will also be discussed. [1] H. Schatz et al., Phys. Rep. 294, 167 1998 [2] P. Kienle et al., Prog. Part. Nuc. Phys. 46, 73 2001 [3] J. Prisciandaro et al., NIM A 505, 140 2003 [4] W. Mueller et al., NIM A 466, 492 2001 [5] D. Gorelov et al. PAC 2005, Knoxville, TN, May 16-20

  6. Fractionation of Zr and Hf in surface processes

    SciTech Connect

    Chyi, L.L.; Garg, A.N.

    1985-01-01

    Zircons from a pegmatite near Tuxedo, North Carolina were crushed and treated with different reagents under different conditions. The treated and untreated samples were determined for Zr and Hf with radiochemical neutron activation analysis. Zircons treated with 50% sulfuric acid were having lowered Zr content and Zr/Hf ratio. The conclusions are that a portion of Zr and Hf in zircons is sensitive to leaching, and Zr appears to be selectively leached over Hf. The conclusions of this work support the observations of small dissolutions of Zr in both acidic podzolic soils and in alkaline laterites, of lower Zr content in soils on glacial drift, and of lower Zr/Hf ratios in loess deposits from various parts of the world. The fractionation of Zr and Hf in surface processes appears to be due to selective leaching. Weakening of Zr-O over Hf-O bonds in zircon by fission projectiles is postulated to be the viable process. The observed fractionation from leaching experiments suggest that areas receiving leachates such as swamps, lakes, and oceans should have high to very high Zr/Hf ratios preserved in rocks. High ratios are found in the Springfield (No. 9) Coal, the Green River Shale, and various limestones. High ratio is also found in orchard leaves, which grow by absorbing leachate from soil.

  7. Study of {sup 179}Hf{sup m2} excitation

    SciTech Connect

    Vishnevsky, I. N.; Zheltonozhsky, V. A. Savrasov, A. N.; Mazur, V. M.

    2016-12-15

    Isomeric ratios of {sup 179}Hf{sup m2,g} yields in the (γ, n) reaction and the cross section for the {sup 179}Hf{sup m2} population in the (α, p) reaction are measured for the first time at the end-point energies of 15.1 and 17.5 MeV for bremsstrahlung photons and 26 MeV for alpha particles. The results are σ = (1.1 ± 0.11) × 10{sup −27} cm{sup 2} for the {sup 176}Lu(α, p){sup 179}Hf{sup m2} reaction and Y{sub m2}/Y{sub g} = (6.1 ± 0.3) × 10{sup −6} and (3.7 ± 0.2) × 10{sup −6} for the {sup 180}Hf(γ, n){sup 179}Hf{sup m22} reaction at E{sub ep} =15.1 and 17.5 MeV, respectively. The experimental data on the relative {sup 179}Hf{sup m2} yield indicate a single-humped shape of the excitation function for the {sup 180}Hf(γ, n){sup 179}Hf{sup m2} reaction. Simulation is performed using the TALYS-1.4 and EMPIRE-3.2 codes.

  8. Geochronology, geochemistry, and mineralization of the granodiorite porphyry hosting the Matou Cu-Mo (±W) deposit, Lower Yangtze River metallogenic belt, eastern China

    NASA Astrophysics Data System (ADS)

    Zhu, Zhi-Yong; Jiang, Shao-Yong; Hu, Jian; Gu, Lian-Xing; Li, Jianwei

    2014-01-01

    Porphyry and skarn Cu-Fe-Au-Mo deposits are widespread in the Middle and Lower Yangtze River metallogenic belt (MLYMB), eastern China. The Matou deposit has long been regarded as a typical Cu-Mo porphyry deposit within Lower Yangtze part of the belt. Recently, we identified scheelite and wolframite in quartz veins in the Matou deposit, which is uncommon in other porphyry and skarn deposits in the MLYMB. We carried out detailed zircon U-Pb dating and geochemical and Sr-Nd-Hf isotopic studies of the granodiorite porphyry at Matou to define any differences from other ore-related granitoids. The porphyry shows a SiO2 content ranging from 61.85 wt.% to 65.74 wt.%, K2O from 1.99 wt.% to 3.74 wt.%, and MgO from 1.74 wt.% to 2.19 wt.% (Mg# value ranging from 45 to 55). It is enriched in light rare earth elements and large ion lithophile elements, but relatively depleted in Nb, Ta, Y, Yb and compatible trace elements (such as Cr, Ni, and V), with slight negative Eu anomalies (Eu/Eu* = 0.88-0.98) and almost no negative Sr anomalies. Results of electron microprobe analysis of rock-forming silicate minerals indicate that the Matou porphyry has been altered by an oxidized fluid that is rich in Mg, Cl, and K. The samples show relatively low ɛNd(t) values from -7.4 to -7.1, slightly high initial 87Sr/86Sr values from 0.708223 to 0.709088, and low ɛHf(t) values of zircon from -9.0 to -6.5, when compared with the other Cu-Mo porphyry deposits in the MLYMB. Zircon U-Pb dating suggests the Matou granodiorite porphyry was emplaced at 139.5 ± 1.5 Ma (MSWD = 1.8, n = 15), which is within the age range of the other porphyries in the MLYMB. Although geochemical characteristics of the Matou and other porphyries in the MLYMB are similar and all adakitic, the detrital zircons in the samples from Matou suggest that Archean lower crust (2543 ± 29 Ma, MSWD = 0.25, n = 5) was involved with the generation of Matou magma, which is different from the other porphyries in the belt. Our study

  9. Superconductivity with extremely large upper critical fields in Nb2Pd0.81S5

    NASA Astrophysics Data System (ADS)

    Zhang, Qiu; Li, Gang; Rhodes, Daniel; Kiswandhi, Andhika; Basara, Tiglet; Sung, J.; Siegrist, Theo; Johannes, Michelle; Balicas, Luis

    2013-03-01

    Here, we report the discovery of superconductivity in a new transition metal-chalcogenide compound, i.e. Nb2Pd0.81S5, with a transition temperature Tc ≅ 6.6 K. Despite its relatively low Tc, it displays remarkably high and anisotropic superconducting upper critical fields, e.g. μ0Hc 2 (T --> 0 K) > 37 T for fields applied along the crystallographic b-axis. This value is considerably larger than the value reported for the technologically relevant Nb3Sn compound (μ0Hc 2 ~ 30 T, with Tc = 18 K)1,2. Its ratio of μ0Hc 2 (T --> 0 K) to Tc, is also larger than those of the new Fe based superconductors, e.g. β-FeSe (20 T/8.7 K)3, Ba1-xKxFe2As2 (~ 70 T/28 K)4, and even higher than the reported ratio for the Chevrel-phase PbMo6S8(60T/13.3 K)5 compound. For a field applied perpendicularly to the b-axis, μ0Hc 2 shows a linear dependence in temperature which coupled to a temperature-dependent anisotropy of the upper critical fields, suggests that Nb2Pd0.81S5 is a multi-band superconductor. This is confirmed by band structure calculations which reveal nearly cylindrical and quasi-one-dimensional Fermi surface sheets having hole and electron character, respectively.

  10. Hf propagation through actively modified ionospheres

    SciTech Connect

    Argo, P.E.; Fitzgerald, T.J.; Wolcott, J.H.; Simons, D.J. ); Warshaw, S.; Carlson, R. )

    1990-01-01

    We have developed a computer modeling capability to predict the effect of localized electron density perturbations created by chemical releases or high-power radio frequency heating upon oblique, one-hop hf propagation paths. We have included 3-d deterministic descriptions of the depleted or enhanced ionization, including formation, evolution, and drift. We have developed a homing ray trace code to calculate the path of energy propagation through the modified ionosphere in order to predict multipath effects. We also consider the effect of random index of refraction variations using a formalism to calculate the mutual coherence functions for spatial and frequency separations based upon a path integral solution of the parabolic wave equation for a single refracted path through an ionosphere which contains random electron density fluctuations. 5 refs., 8 figs.

  11. Auroral backscatter observed at HF from Ottawa

    SciTech Connect

    Montbriand, L.E.

    1988-10-01

    Bistatic HF radar recordings of auroral scattering sources north of Ottawa are reported. Doppler frequency spreads over + or - 100 Hz were obtained at least 35 percent of the time. The peak of the Doppler frequency distribution was sometimes shifted from zero by as much as 50 Hz, and significant contributions often occurred at Doppler frequencies greater than 150 Hz. Signals received simultaneously on both arms of a two-arm direction-finding array were used to identify the specific elevations and bearings of the backscatter signals. A detailed study of a particular hour-long period is reported, and a large number of 'apparent' auroral backscatter sources are identified. The source regions, probably located in the F layer, were elongated mainly in the north-south direction and extended over at least 3 deg of latitude. North-south corridors were found between such sources in which echo returns were either absent or very weak. 14 references.

  12. Time synchronisation of an HF radio modem

    NASA Astrophysics Data System (ADS)

    Clark, A. P.; McVerry, F.

    1982-12-01

    The present investigation is concerned with a technique for time synchronization which is of potential value in any application of time synchronization where an estimate of the sampled impulse response of a time-varying linear baseband channel is required but the particular phase of the sampling instants is hot important. The technique appears to be both simple and effective and to be capable of development into a useful practical system. Attention is given to the results of computer simulation tests which show the performance of the technique in a 9600 bit/s quadrature-amplitude-modulated (QAM) data-transmission system operating over a model of an HF radio link. The data-transmission system is considered along with the control of the sampling instants, and details concerning the computer simulation tests.

  13. {ital Ab initio} characterization of the structure and energetics of the ArHF complex

    SciTech Connect

    van Mourik, T.; Dunning, T.H. Jr.

    1997-08-01

    The ArHF complex has been investigated using correlation consistent basis sets at several levels of theory, including Mo/ller{endash}Plesset perturbation theory (MP2, MP3, MP4) and coupled cluster techniques [CCSD, CCSD(T)]. The three stationary points (the primary linear Ar{endash}HF minimum, the secondary linear Ar{endash}FH minimum, and the interposed transition state TS) on the counterpoise-corrected potential energy surface have been characterized. Calculations with the aug-cc-pV5Z basis set predict D{sub e} for the Ar{endash}HF minimum to be (with estimated complete basis set limits in parentheses) {minus}215 ({minus}218)cm{sup {minus}1} for MP4 and {minus}206 ({minus}211)cm{sup {minus}1} for CCSD(T). For the Ar{endash}FH minimum and the TS, calculations with the d-aug-cc-pVQZ sets predict D{sub e}{close_quote}s (and CBS limits) of {minus}97 ({minus}99) and {minus}76 ({minus}78)cm{sup {minus}1} (MP4) and {minus}93 ({minus}94) and {minus}75 ({minus}76)cm{sup {minus}1} [CCSD(T)], respectively. The corresponding values for the H6(4,3,2) potential of Hutson [J. Chem. Phys. {bold 96}, 6752 (1992)] are {minus}211.1{plus_minus}4cm{sup {minus}1}, {minus}108.8{plus_minus}10cm{sup {minus}1}, and {minus}82.6{plus_minus}10cm{sup {minus}1}. While the agreement of our CCSD(T) estimate with Hutson{close_quote}s value is excellent for the global minimum, it is less so for the other two stationary points, suggesting that the H6(4,3,2) potential may be too attractive around the secondary minimum and the transition state. {copyright} {ital 1997 American Institute of Physics.}

  14. High-RRR thin-films of NB produced using energetic condensation from a coaxial, rotating vacuum ARC plasma (CEDTM)

    SciTech Connect

    Enrique Francisco Valderrama, Colt James, Mahadevan Krishnan, Xin Zhao, Larry Phillips, Charles Reece, Kang Seo

    2012-07-01

    We have recently demonstrated unprecedentedly high values of RRR (up to 542) in thin-films of pure Nb deposited on a-plane sapphire and MgO crystal substrates. The Nb films were grown using a vacuum arc discharge struck between a reactor grade Nb cathode rod (RRR {approx} 30) and a coaxial, semi-transparent Mo mesh anode, with a heated substrate placed just outside it. The substrates were pre-heated for several hours prior to deposition at different temperatures. Low pre-heat temperatures (<300 C) and deposition temperatures (<300 C) give low RRR (<50) films, whereas higher pre-heat (700 C) and coating temperatures (500 C) give RRR=214 on a-sapphire and RRR=542 on MgO. XRD (Bragg-Brentano scans and Pole Figures), EBSD and SIMS data reveal several features: (1) on asapphire, higher temperatures show better 3D registry for epitaxial growth of Nb; the crystal structure evolves from textured, polycrystalline (with twins) to single-crystal; (2) on MgO, there is a transition from {l_brace}110{r_brace} planes to {l_brace}100{r_brace} as the temperature is increased beyond 500 C. The dramatic increase in RRR (from {approx}10 at <300 C to {approx}500 at >600 C) is correlated with better epitaxial crystal structure in both a-sapphire and MgO substrate grown films. However, the SIMS data reveal that the most important requirement for high-RRR Nb films on either substrate is the reduction of impurities in the film, especially hydrogen. The hydrogen content in the MgO grown films is 1000 times lower than in bulk Nb tested as a reference from SRF cavity grade Nb. This result has potential implications for SRF accelerators. Coating bulk Nb cavities with an MgO layer followed by our CEDTM deposited Nb films, might create superior SRF cavities that would avoid Q-slope and operate at higher peak fields.

  15. Beam-Based Production of 178m2Hf

    NASA Astrophysics Data System (ADS)

    Farrell, J. Paul; Dudnikov, V.; Carroll, J. J.; Merkel, G.

    2002-11-01

    In this study, the production yield for the reaction 176Yb(9Be, α3n)178Hf was explored using the FN tandem injected superconducting LINAC at SUNY at Stony Brook at a 9Be energy of 65 MeV. By comparing the experimental yield of 178Hf ground state γ rays with those of 180W as a function of energy, the cross section for production of the incomplete fusion γ rays in 178Hf was evaluated. Coincidence measurements were made to get information about the population strength of the high spin states in 178Hf. From these measurements, the maximum cross section for the reaction 176Yb(9Be, α3n)178m2Hf is estimated to be no larger than 5 mb.

  16. Zr-Hf-Ta fractionation during lunar evolution

    NASA Technical Reports Server (NTRS)

    Hughes, S. S.; Schmitt, R. A.

    1985-01-01

    Zr/Hf ratios and other elemental data in 68 samples of various mare basalts, KREEP units, and lunar glasses have been determined using instrumental neutron activation analysis coupled with coincidence-anticoincidence counting for greater precision. The data are presented in order to quantify further the amount of Zr/Hf fractionation that has occurred during primordial crystallization and cumulate remelting or by any other process. Models of Zr-Hf evolution are developed to place additional constraints on the bulk lunar composition and on the effects of minor phases that may be responsible for the observed fractionations. The Hf-Ta fractionation in lunar compositions is also reviewed in order to characterize normal Hf(4+) versus Ta(4+) behavior and to delineate possible effects due to the oxidation of Ta(4+) to Ta(5+) during late-stage ilmenite crystallization.

  17. Crystal structure of Si-doped HfO2

    NASA Astrophysics Data System (ADS)

    Zhao, Lili; Nelson, Matthew; Aldridge, Henry; Iamsasri, Thanakorn; Fancher, Chris M.; Forrester, Jennifer S.; Nishida, Toshikazu; Moghaddam, Saeed; Jones, Jacob L.

    2014-01-01

    Si-doped HfO2 was prepared by solid state synthesis of the starting oxides. Using Rietveld refinement of high resolution X-ray diffraction patterns, a substitutional limit of Si in HfO2 was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO2) rather than HfSiO4, the latter of which would be expected from existing SiO2-HfO2 phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO2 shows that c/b increases, while β decreases. The spontaneous strain, which characterizes the ferroelastic distortion of the unit cell, was calculated and shown to decrease with increasing Si substitution.

  18. Calculation of Electron Affinity and Partial Cross Sections of Hf^-

    NASA Astrophysics Data System (ADS)

    Pan, Lin; Beck, Donald

    2008-05-01

    We have calculated for the first time the electron affinity (EA) of Hf^-, using the relativistic configuration interaction method. Our calculations show Hf^- has only one bound state 5d^26s^26p J=5/2, which is a 6p attachment to the ground state of Hf I. By combining our valence stage result with the separate estimate for the modest core-valence contribution, the EA of Hf^- is about 0.114 eV. So far there have been only two experimental results [1,2] for the EA of Hf^-, but both gave only the limits. Our result falls within both of the limits. We also calculate the partial cross sections for photodetachment to the lower lying neutral thresholds. [1] M-J. Nadeau et al, Nucl. Instr. and Meth. B 123, 521 (1997) [2] Vernon T. Davis et al, Nucl. Instr. and Meth. B 241, 118 (2005)

  19. The (178m2)Hf Controversy

    SciTech Connect

    Becker, J A; Gemmell, D S; Schiffer, J P; Wilhelmy, J B

    2003-07-24

    Since its discovery in the 1960's the {sup 178m2}Hf isomer has garnered high attention from both the basic and applied communities in nuclear science. It's combination of high spin (16+), long half life (31 yrs), and high excitation energy (2.446 MeV) offer unique possibilities as an energy storage medium. Interest in the isomer was rekindled beginning in 1999 when a series of publications began to appear from a group (referred to here as the ''Texas collaboration'') primarily based at the University of Texas, Dallas [1]. They reported observations that some of the stored energy could be released (''triggered'') when the isomer was exposed to a fluence of photons in the energy range {approx}10 to {approx}60 keV. The implications of this observation are profound. Even though the claimed cross section for the process was {approx}7 orders of magnitude greater than would be predicted from the known systematics of photon absorption by nuclei in this mass range [2], such a highly efficient method for triggering the isomeric deexcitation immediately suggested applications utilizing the explosive or the controlled gradual energy release from a very compact source. The prospect of such applications has focused considerable interest on realizing the promise that is implicit in the reported observations. However, two experiments performed by a group from ANL/LANL/LLNL at the Advanced Photon Source at Argonne (the ''APS collaboration'') reported negative results for the observation of any photon-triggered deexcitation of the {sup 178m2}Hf isomer [3]. This has led to a continued controversy, where both sides have adamantly defended their observations. At this point an outsider has difficulty determining whether there is indeed a triggering effect that should be pursued energetically with substantial resources, or whether the phenomenon consists of overly optimistic interpretation of data.

  20. Hydrolysis of ZrCl4 and HfCl4: The Initial Steps in the High-Temperature Oxidation of Metal Chlorides to Produce ZrO2 and HfO2

    SciTech Connect

    Fang, Zongtang; Dixon, David A.

    2013-03-08

    The gas-phase hydrolysis of MCl4 (M = Zr, Hf) to produce the initial particles on the way to zirconia and hafnia nanoparticles has been studied with electronic structure theory. The potential energy surfaces, the themochemistry of the reaction species, and the reaction paths for the initial steps of MCl4 reacting with H2O have been calculated. The hydrolysis of MCl4 at higher temperatures begins with the formation of oxychlorohydroxides followed by the elimination of HCl instead of the direct production of MOCl2 and HCl or MO2 and HCl due to the substantial endothermicities associated with the formation of gas-phase MO2. The structural properties and heats of formation of the reactants and products are consistent with the available experimental results. A number of metal oxychlorides (oxychlorohydroxides) intermediate clusters have been studied to assess their role in the production of MO2 nanoparticles. The calculated clustering reaction energies of those intermediates are highly exothermic, so they could be readily formed in the hydrolysis process. These intermediate clusters can be formed exothermically from metal oxychlorohydroxides by the elimination of one HCl or H2O molecule. Our calculations show that the mechanisms leading to the formation of MO2 nanoparticles are complicated and are accompanied by the potential production of a wide range of intermediates, as found for the production of TiO2 particles from the high-temperature oxidation of TiCl4.