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Sample records for zr hf sc

  1. Zirconium Zr and hafnium Hf

    International Nuclear Information System (INIS)

    Busev, A.I.; Tiptsova, V.G.; Ivanov, V.M.

    1978-01-01

    The basic methods for extracting and determining Zr(4) and Hf(4) are described. Diantipyrinemethane and its alkyl homologs selectively extract Zr and Hf from HNO 3 solutions in the presence of nitrates. Zr is selectively extracted with tetraethyldiamide of heptyl phosphoric acid (in benzene) as well as with 2-thenoyltrifluoroacetone (in an acid). The latter reagents is suitable for rapid determination of 95 Zr in a mixture with 95 Nb and other fragments. The complexometric determination of Zr is based on formation of a stable complex of Zr with EDTA. The titration is carried out in the presence of n-sulfobenzene-azo-pyrocatechol, eriochrome black T. The determination is hindered by Hf, fluoride-, phosphate-, oxalate- and tartrate-ions. The method is used for determining Zr in zircon and eudialyte ore. Zr is determined photometrically with the aid of xylenol orange, arsenazo 3 and pyrocatechol violet (in phosphorites). Hf is determined in the presence of Zr photometrically with the aid of xylenol orange or methyl-thymol blue. The method is based on Zr being masked with hydrogen peroxide in the presence of sulfate-ions

  2. Isothermal cross-sections of Hf-Sc-Ga(800 deg C) and Hf-Ti-Ga (750 deg C) phase diagrams

    International Nuclear Information System (INIS)

    Markiv, V.Ya.; Belyavina, N.N.

    1981-01-01

    Isothermal cross sections of Hf-Sc-Ga (800 deg C) and Hf-Ti-Ga (750 deg C) state diagrams are plotted. The existence of two ternary Hfsub(0.1-0.8)Scsub(0.9)-sub(0.2)Ga and Hfsub(0.8)Scsub(0.2)Gasub(3) phases is stated in the Hf-Sc-Ga system. The crystal structure of these compounds investigated by the powder method belongs to the structural α-MoB and ZrAl 3 types respectively. Continuous rows of (Hf, Sc 5 Ga 5 , (Hf, Ti)Ga 3 and (Hf, Ti)Ga 2 solid solutions are formed in the investigated systems. Essential quantity of the third component dissolve binary Sc 5 Ga 4 , Sc 2 Ga 3 (15 and 30 at % Hf respectively), Hf 5 Ga 4 , HfGa 2 (20, 10 at. % Sc), Hf 5 Ga 4 , HfGa, Hf 5 Ga 3 , Hf 2 Ga 3 (48, 30, 46, 20 at. % Ti) gallides [ru

  3. Fretting wear of ZrN and Zr(21% Hf)N coatings

    Energy Technology Data Exchange (ETDEWEB)

    Atar, E. [Gebze Inst. of Tech., Material Science and Engineering Dept., Kocaeli (Turkey); Cimenoglu, H.; Kayali, E.S. [Istanbul Technical Univ., Dept. of Metallurgy and Materials Engineering, Istanbul (Turkey)

    2004-07-01

    In this study, the wear behaviours of ZrN and Zr(21% Hf)N coatings, deposited on hardened AISI D2 cold work tool steel were examined by a fretting wear tester. The hardness of ZrN and Zr(21% Hf)N coatings were almost the same, where as they exhibited different wear resistance. Addition of 21% Hf to ZrN coating achieved about 25% increase in the wear resistance. (orig.)

  4. Fretting wear of ZrN and Zr(21% Hf)N coatings

    International Nuclear Information System (INIS)

    Atar, E.; Cimenoglu, H.; Kayali, E.S.

    2004-01-01

    In this study, the wear behaviours of ZrN and Zr(21% Hf)N coatings, deposited on hardened AISI D2 cold work tool steel were examined by a fretting wear tester. The hardness of ZrN and Zr(21% Hf)N coatings were almost the same, where as they exhibited different wear resistance. Addition of 21% Hf to ZrN coating achieved about 25% increase in the wear resistance. (orig.)

  5. PEMISAHAN ZrHf SECARA SINAMBUNG MENGGUNAKAN MIXER SETTLER

    Directory of Open Access Journals (Sweden)

    Dwi Biyantoro

    2017-01-01

    Full Text Available ABSTRAK PEMISAHAN ZrHf SECARA SINAMBUNG MENGGUNAKANMIXER SETTLER. Telah dilakukan pemisahanZrHf secara sinambung menggunakan pengaduk pengenap (mixer settler 16 stage. Larutan umpan adalah zirkon nitrat dengan kadar Zr = 30786 ppm dan Hf = 499 ppm. Ekstraktan dipakai adalah solven 60 % TBP dalam kerosen dan larutan scrubbingyang dipakai adalah asam nitrat 1 M. Umpan masuk pada stageke 5 dikontakkan secara berlawanan arah dengan solven masuk pada stage ke 16 dan larutan scrubbing masuk pada stage ke 1. Tujuan penelitian ini adalah memisahkan unsur Zr dan Hf dari hasil olah pasir zirkon menggunakan solven TBP dengan alat mixer settler16 stage. Analisis umpan dan hasil proses pemisahan untuk zirkonium (Zr dilakukan dengan menggunakan alat pendar sinar-X, sedangkananalisis unsur hafnium (Hf menggunakan Analisis Pengaktifan Neutron (APN. Parameter penelitian dilakukan dengan variasi keasaman asam nitrat dalam umpan dan variasi waktu pada berbagai laju pengadukan. Hasil penelitian pemisahan unsur Zr dengan Hf diperolehkondisi optimum pada keasaman umpan 4 N HNO3, keseimbangan dicapai setelah 3jam dan laju pengadukan 3300 rpm. Hasil ekstrak  unsur zirkon (Zr diperoleh kadar sebesar 28577 ppm dengan efisiensi 92,76 % serta kadar pengotor hafnium (Hf sebesar 95 ppm. Kata Kunci: pemisahan Zr, Hf, ekstraksi, mixer settler, alat pendar sinar-X, APN. ABSTRACT SEPARATION of Zr - Hf CONTINUOUSLY USE THE MIXER SETTLER. Separation of Zr - Hf continuously using mixer settler 16 stage has been done. The feed solution is zircon nitrate concentration of Zr = 30786 ppm  and Hf = 499 ppm. As the solvent used extractant 60 % TBP in 40 % kerosene. Nitric acid solution used srubbing 1 M. The feed entered into stage to 5 is contacted with solvents direction on the stage to 16 and the scrubbing solution enter the stage to 1. The purpose of this study is to separate Zr and Hf of the results from the process of zircon sand using solvent TBP using 16 stage

  6. Conductivity ageing studies on 1M10ScSZ (M4+=Ce, Hf)

    DEFF Research Database (Denmark)

    Omar, Shobit; Bin Najib, Waqas; Bonanos, Nikolaos

    2011-01-01

    The long-term conductivity stability is tested on zirconia based electrolyte materials for solid oxide fuel cell applications. The ageing studies have been performed on the samples of ZrO2 co-doped with 10mol% of Sc2O3 and 1mol% MO2, where M = Ce or Hf (denoted respectively 1Ce10ScSZ and 1Hf10Sc......SZ) in oxidising and reducing atmospheres, at 600°C for 3000h. At 600°C, these compositions show initial conductivity of around 9–12mS∙cm−1 in air. After 3000h of ageing, no phase transitions are observed in any of the samples. For the first 1000h, the degradation rate is higher than in the subsequent 2000h......; thereafter, conductivity degrades linearly with time for all samples. In air, the loss in the conductivity is lower than in reducing conditions. The 1Ce10ScSZ shows the highest degradation rate of 3.8%/1000h in wet H2/N2 after the first 1000h of ageing. A colour change of the 1Ce10ScSZ sample from white...

  7. Evolution of Zr/Hf/Zr trilayers during annealing studied by RBS

    International Nuclear Information System (INIS)

    Kling, A.; Soares, J.C.

    2010-01-01

    The Zr/Hf system is highly interesting due its various applications, e.g. formation of amorphous ternary alloys, superconductive properties and production of gate oxide layers with high dielectric coefficients by oxidation of Zr/Hf multilayers. In this work Zr/Hf/Zr trilayers with an individual layer thickness of approximately 50 nm were deposited by electron gun evaporation on a substrate consisting of silicon covered by a micrometer thick thermal oxide layer. Samples were subjected to annealing procedures at 500 and 1200 o C in flowing air atmosphere to promote oxidation and Zr/Hf interdiffusion effects. RBS studies of the as-deposited and annealed samples were performed at the van-de-Graaff accelerator of ITN using He + and H + beams with energies between 2.0 and 2.525 MeV in order to study compositional changes induced by the heat treatment. In the case of low-temperature annealing the layer system appears, besides the oxidation process starting from the surface, to be stable. On the other hand, high-temperature annealing leads to an asymmetric Hf-diffusion into the surface and interior Zr-layer provoked by anomalous diffusion due to a phase transition in Zr accompanied by an almost complete oxidation of the layer structure Oxygen and metal depth distributions obtained by RBS in the as-deposited and treated samples are provided.

  8. Precipitation in cold-rolled Al-Sc-Zr and Al-Mn-Sc-Zr alloys prepared by powder metallurgy

    KAUST Repository

    Vlach, Martin

    2013-12-01

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al3Sc and/or Al3(Sc,Zr) particles precipitated during extrusion at 350 C in the alloys studied. Additional precipitation of the Al3Sc and/or Al3(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 C. The precipitation of the Al6Mn- and/or Al 6(Mn,Fe) particles of a size ~ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al3Sc particles formation and/or coarsening and that of the Al6Mn and/or Al 6(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al3Sc-phase and the Al 6Mn-phase precipitation. © 2013 Elsevier Inc.

  9. Precipitation in cold-rolled Al-Sc-Zr and Al-Mn-Sc-Zr alloys prepared by powder metallurgy

    KAUST Repository

    Vlach, Martin; Stulí ková , Ivana; Smola, Bohumil; Kekule, Tomá š; Kudrnová , Hana; Daniš, Stanislav; Gemma, Ryota; Očená šek, Vladivoj; Má lek, Jaroslav; Tanprayoon, Dhritti; Neubert, Volkmar

    2013-01-01

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al3Sc and/or Al3(Sc,Zr) particles precipitated during extrusion at 350 C in the alloys studied. Additional precipitation of the Al3Sc and/or Al3(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 C. The precipitation of the Al6Mn- and/or Al 6(Mn,Fe) particles of a size ~ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al3Sc particles formation and/or coarsening and that of the Al6Mn and/or Al 6(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al3Sc-phase and the Al 6Mn-phase precipitation. © 2013 Elsevier Inc.

  10. The anisotropy of Hf diffusion in α-Zr

    International Nuclear Information System (INIS)

    Hood, G.M.; Zou, H.; Roy, J.A.; Schultz, R.J.; Matsuura, N.; Jackson, J.A.

    1995-07-01

    Hf diffusion coefficients (D) have been measured in the temperature interval 870-1100 K, in directions parallel (D pa ) and perpendicular (D pe ) to the c-axis of double-faced, single crystal specimens of both high-purity (HP) and nominally pure (NP) α-Zr single crystals. The diffusion profiles were measured by secondary ion mass spectrometry. Hf diffusion in HP α-Zr is characterised by an activation energy of about 3.0 eV and a pre-exponential factor of about 10 -5 m 2 /s. The anisotropy ratio, D pa /D pe is ∼ 1.0 for the NP specimens. A dependence of D on diffusion time/depth is indicated for some NP experiments on NP Zr. (author). 7 refs., 2 tabs., 3 figs

  11. Study on the adducts formation of Zr and Hf chelates

    International Nuclear Information System (INIS)

    Ree, Chin Taik; Jung, Young Sam; Park, Jun Kown

    1986-01-01

    The synergistic effect observed in Zr(IV) and Hf(IV) extraction from strong perchloric acid solutions by the mixtures of 2-Thenoyltri-fluoroacetone(TTA) and Octanols is shown to be caused by the formation of a mixed complex, M(TTA) 3 XS (M=Zr(IV), HF(IV), X=ClO 4 - , S=Octanol). One of the four TTA molecules coordinated at lower HClO 4 concentration to the metal as bidendate ligand seems to be changed to monodendate due to increasing HClO 4 concentration. The monodenate TTA ligand leaves the coordination site, finally, due to the activity of perchlorate at higher concentration and the additional coordination of an Octanol molecule seems to be allowed to the vaccant site which shows the synergistic extraction phenomena. (Author)

  12. Tracking magmatic processes through Zr/Hf ratios in rocks and Hf and Ti zoning in zircons: An example from the Spirit Mountain batholith, Nevada

    Science.gov (United States)

    Lowery, Claiborne L.E.; Miller, C.F.; Walker, B.A.; Wooden, J.L.; Mazdab, F.K.; Bea, F.

    2006-01-01

    Zirconium and Hf are nearly identical geochemically, and therefore most of the crust maintains near-chondritic Zr/Hf ratios of ???35-40. By contrast, many high-silica rhyolites and granites have anomalously low Zr/Hf (15-30). As zircon is the primary reservoir for both Zr and Hf and preferentially incorporates Zr, crystallization of zircon controls Zr/ Hf, imprinting low Zr/Hf on coexisting melt. Thus, low Zr/Hf is a unique fingerprint of effective magmatic fractionation in the crust. Age and compositional zonation in zircons themselves provide a record of the thermal and compositional histories of magmatic systems. High Hf (low Zr/ Hf) in zircon zones demonstrates growth from fractionated melt, and Ti provides an estimate of temperature of crystallization (TTiZ) (Watson and Harrison, 2005). Whole-rock Zr/Hf and zircon zonation in the Spirit Mountain batholith, Nevada, document repeated fractionation and thermal fluctuations. Ratios of Zr/Hf are ???30-40 for cumulates and 18-30 for high-SiO2 granites. In zircons, Hf (and U) are inversely correlated with Ti, and concentrations indicate large fluctuations in melt composition and TTiZ (>100??C) for individual zircons. Such variations are consistent with field relations and ion-probe zircon geochronology that indicate a >1 million year history of repeated replenishment, fractionation, and extraction of melt from crystal mush to form the low Zr/Hf high-SiO2 zone. ?? 2006 The Mineralogical Society.

  13. Exploration of R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd2AlGe2 and Analysis of the U3Si2 and Zr3Al2 Structure Types

    Energy Technology Data Exchange (ETDEWEB)

    McWhorter, Sean William [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd5(SixGe1-x)4 several new compounds were synthesized with different crystal structures, but similar structural features. In Gd5(SixGe1-x)4, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd5(SixGe1-x)4 can be thought of as being formed from two 32434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd2MgGe2 and Gd2InGe2 both possess the same 32434 nets of Gd atoms as Gd5(SixGe1-x)4, but these nets are connected differently, forming the Mo2FeB2 crystal structure. A search of the literature revealed that compounds with the composition R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo2FeB2, Zr3Al2, Mn2AlB2 and W2CoB2 crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd2AlGe2 forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how

  14. Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

    Science.gov (United States)

    von Rohr, Fabian O.; Cava, Robert J.

    2018-03-01

    High-entropy alloys (HEAs) are a new class of materials constructed from multiple principal elements statistically arranged on simple crystallographic lattices. Due to the large amount of disorder present, they are excellent model systems for investigating the properties of materials intermediate between crystalline and amorphous states. Here we report the effects of systematic isoelectronic replacements, using Mo-Y, Mo-Sc, and Cr-Sc mixtures, for the valence electron count 4 and 5 elements in the body-centered cubic (BCC) Ta-Nb-Zr-Hf-Ti high-entropy alloy (HEA) superconductor. We find that the superconducting transition temperature Tc strongly depends on the elemental makeup of the alloy, and not exclusively its electron count. The replacement of niobium or tantalum by an isoelectronic mixture lowers the transition temperature by more than 60%, while the isoelectronic replacement of hafnium, zirconium, or titanium has a limited impact on Tc. We further explore the alloying of aluminium into the nearly optimal electron count [TaNb] 0.67(ZrHfTi) 0.33 HEA superconductor. The electron count dependence of the superconducting Tc for (HEA)Al x is found to be more crystallinelike than for the [TaNb] 1 -x(ZrHfTi) x HEA solid solution. For an aluminum content of x =0.4 the high-entropy stabilization of the simple BCC lattice breaks down. This material crystallizes in the tetragonal β -uranium structure type and superconductivity is not observed above 1.8 K.

  15. Theoretical predictions of hydrolysis and complex formation of group-4 elements Zr, Hf and Rf in HF and HCl solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Trubert, D.; Le Naour, C.; Kratz, J.V.

    2002-01-01

    Fully relativistic molecular density-functional calculations of the electronic structures of hydrated, hydrolyzed and fluoride/chloride complexes have been performed for group-4 elements Zr, Hf, and element 104, Rf. Using the electronic density distribution data, relative values of the free energy change for hydrolysis and complex formation reactions were defined. The results show the following trend for the first hydrolysis step of the cationic species: Zr>Hf>Rf in agreement with experiments. For the complex formation in HF solutions, the trend to a decrease from Zr to Hf is continued with Rf, provided no hydrolysis takes place. At pH>0, further fluorination of hydrolyzed species or fluoro-complexes has an inversed trend in the group Rf≥Zr>Hf, with the difference between the elements being very small. For the complex formation in HCl solutions, the trend is continued with Rf, so that Zr>Hf>Rf independently of pH. A decisive energetic factor in hydrolysis or complex formation processes proved to be a predominant electrostatic metal-ligand interaction. Trends in the K d (distribution coefficient) values for the group-4 elements are expected to follow those of the complex formation

  16. Ternary ceramic alloys of Zr-Ce-Hf oxides

    Science.gov (United States)

    Becher, P.F.; Funkenbusch, E.F.

    1990-11-20

    A ternary ceramic alloy is described which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce[sub x]Hf[sub y]Zr[sub 1[minus]x[minus]y]O[sub 2], is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites. 1 fig.

  17. The Thermodynamic Characterization of ZrCo–H, HfCo−H, HfNi−H and Zr{sub 1–x}HfxNi(Co) Alloy–H Systems

    Energy Technology Data Exchange (ETDEWEB)

    Flanagan, Ted B., E-mail: ted.flanagan@uvm.edu; Noh, Hak; Luo, Suifang

    2016-08-25

    ZrCo and HfCo intermetallic compounds have the same cubic (CsCl-type) structure and their ternary (Zr{sub 1−x}Hf{sub x})Co alloys are also cubic. ZrNi and HfNi intermetallic compounds have the orthorhombic structure (CrB-type) and the ternary (Zr{sub 1−x}Hf{sub x})Ni alloys also have this structure. Thermodynamic data for hydride formation and decomposition in ZrCo, HfCo and HfNi intermetallic compounds have been determined from reaction calorimetry and from pressure-composition isotherms. Thermodynamic data have been determined for the three ternary alloys: (Zr{sub 0.75}Hf{sub 0.25})Co, (Zr{sub 0.50}Hf{sub 0.50})Co, and (Zr{sub 0.25}Hf{sub 0.75})Co and the four ternary alloys: (Zr{sub 0.875}Hf{sub 0.125})Ni, (Zr{sub 0.75}Hf{sub 0.25})Ni, (Zr{sub 0.50}Hf{sub 0.50})Ni, and (Zr{sub 0.25}Hf{sub 0.75})Ni. This offers the opportunity to learn how the thermodynamic properties of the ternary alloy-H systems change with the stoichiometry of alloys with the same structure. - Highlights: • Calorimetric enthalpies determined for H absorption by ZrCo, HfCo, HfNi are determined. • Ternary alloys, e.g., Zr{sub 1−x}Hf{sub x}Ni, prepared and characterized by x-ray diffraction. • Isotherms for the ternary alloys give thermodynamic parameters for H solution.

  18. Oxidation behavior of TiC, ZrC, and HfC dispersed in oxide matrices

    International Nuclear Information System (INIS)

    Arun, R.; Subramanian, M.; Mehrotra, G.M.

    1990-01-01

    The oxidation behavior of hot pressed TiC-Al 2 O 3 , TiC-ZrO 2 , ZrC-ZrO 2 , and HfC-HfO 2 composites has been investigated at 1273 K. The oxidation of TiC, ZrC, and HfC in hot-pressed composites containing ZrO 2 and HfO 2 has been found to be extremely rapid. The kinetics of oxidation of TiC and a 90 wt% TiC-Al 2 O 3 composite appear to be faster compared to that of pure TiC. X-ray diffraction results for hot-pressed ZrC-HfO 2 and HfC-HfO 2 composites indicate partial stabilization of tetragonal ZrO 2 and HfO 2 phases in these composites

  19. On the stabilization of NbV-solutions by ZrIV and HfIV

    International Nuclear Information System (INIS)

    Soerensen, E.; Bjerre, A.B.

    1987-11-01

    Niobium cannot be separated from zirconium or hafnium when these elements occur together in solution with common anions such as Cl- and SO 4 --. This is ascribed to the copolymerisation of Nb v and the hydrolyzed ionic species of Zr IV v and Hf IV by which the colloidal particles are masked as Zr- and Hf-compounds. In HCl the particles are positively charged as opposed to when they are in sulphate solution where the Zr- and Hf- sulphate complexes confer a negative charge. The two cases are considered separately. (author)

  20. Atomic bonding and mechanical properties of Al-Mg-Zr-Sc alloy

    Institute of Scientific and Technical Information of China (English)

    高英俊; 班冬梅; 韩永剑; 钟夏平; 刘慧

    2004-01-01

    The valence electron structures of Al-Mg alloy with minor Sc and Zr were calculated according to the empirical electron theory(EET) in solid. The results show that because of the strong interaction of Al atom with Zr and Sc atom in melting during solidification, the Al3 Sc and Al3 (Sc1-xZrx) particles which act as heterogeneous nuclear are firstly crystallized in alloy to make grains refine. In progress of solidification, the Al-Sc, Al-Zr-Sc segregation regions are formed in solid solution matrix of Al-Mg alloy owing to the strong interaction of Al atom with Zr, Scatoms in bulk of alloy, so in the following homogenization treatment, the finer dispersed Al3 Sc and Al3 (Sc1-x Zrx) second-particles which are coherence with the matrix are precipitated in the segregation region. These finer second particles with the strong Al-Zr, Al-Sc covalent bonds can strengthen the covalent bonds in matrix of the alloy, and also enhance the hardness and strength of Al-Mg alloy. Those finer second-particles precipitated in interface of sub-grains can also strengthen the covalence bonds there, and effectively hinder the interface of sub-grains from migrating and restrain the sub-grains from growing, and cause better thermal stability of Al-Mg alloy.

  1. Correlative characterization of primary Al{sub 3}(Sc,Zr) phase in an Al–Zn–Mg based alloy

    Energy Technology Data Exchange (ETDEWEB)

    Li, J.H., E-mail: jie-hua.li@hotmail.com [Institute of Casting Research, Montanuniversität Leoben, A-8700 Leoben (Austria); Wiessner, M. [Materials Center Leoben Forschung GmbH, A-8700 Leoben (Austria); Albu, M. [Institute for Electron Microscopy and Nanoanalysis, Graz University of Technology, Center for Electron Microscopy (Austria); Wurster, S. [Department of Materials Physics, Montanuniversität Leoben, Erich Schmid Institute of Materials Science of the Austrian Academy of Sciences, A-8700 Leoben (Austria); Sartory, B. [Materials Center Leoben Forschung GmbH, A-8700 Leoben (Austria); Hofer, F. [Institute for Electron Microscopy and Nanoanalysis, Graz University of Technology, Center for Electron Microscopy (Austria); Schumacher, P. [Institute of Casting Research, Montanuniversität Leoben, A-8700 Leoben (Austria); Austrian Foundry Research Institute, A-8700 Leoben (Austria)

    2015-04-15

    Three-dimensional electron backscatter diffraction, focused ion beam, transmission electron microscopy and energy filtered transmission electron microscopy were employed to investigate the structural information of primary Al{sub 3}(Sc,Zr) phase, i.e. size, shape, element distribution and orientation relationship with the α-Al matrix. It was found that (i) most primary Al{sub 3}(Sc,Zr) phases have a cubic three-dimensional morphology, with a size of about 6–10 μm, (ii) most primary Al{sub 3}(Sc,Zr) phases are located within the α-Al matrix, and exhibit a cube to cube orientation relationship with the α-Al matrix, and (iii) a layer by layer growth was observed within primary Al{sub 3}(Sc,Zr) phases. Al, Cu, Si and Fe are enriched in the α-Al matrix between the layers of cellular eutectic Al{sub 3}(Sc,Zr) phase, while Sc, Ti and Zr are enriched in small Al{sub 3}(Sc,Zr) phases. A peritectic reaction and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed to interpret the observed layer by layer growth. This paper demonstrates that the presence of impurities (Fe, Si, Cu, Ti) in the diffusion field surrounding the growing Al{sub 3}(Sc,Zr) particle enhances the heterogeneous nucleation of Al{sub 3}(Sc,Zr) phases. - Highlights: • Most fine cubic primary Al{sub 3}(Sc,Zr) phases were observed within the α-Al matrix. • A layer by layer growth within primary Al{sub 3}(Sc,Zr) phase was observed. • A peritectic and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed. • Impurities in diffusion fields enhance heterogeneous nucleation of Al{sub 3}(Sc,Zr)

  2. Difference in Thermal Degradation Behavior of ZrO2 and HfO2 Anodized Capacitors

    Science.gov (United States)

    Kamijyo, Masahiro; Onozuka, Tomotake; Yoshida, Naoto; Shinkai, Satoko; Sasaki, Katsutaka; Yamane, Misao; Abe, Yoshio

    2004-09-01

    Microcrystalline ZrO2 and HfO2 thin film capacitors were prepared by anodizing sputter-deposited Zr and Hf films. The thermal degradation behavior of both anodized capacitors was clarified by the measurement of their capacitance properties and Auger depth profiles before and after heat treatment in air. As a result, it is confirmed that the heat-resistance property of the HfO2 anodized capacitor is superior to that of the ZrO2 capacitor. In addition, it is revealed that the thermal degradation of the ZrO2 anodized capacitor is caused by the diffusion of Zr atoms from the underlying layer into the ZrO2 anodized layer, while that of the HfO2 anodized capacitor is caused by the diffusion of oxygen atoms from the anodized layer into the underlying Hf layer.

  3. Determination of Hf, Sc and Y in geological samples together with the rare-earth elements

    International Nuclear Information System (INIS)

    Lihareva, N.; Delaloye, M.

    1997-01-01

    A method is described for the determination of Hf, Sc and Y simultaneously with the REE in geological materials. An earlier method for REE separation from major elements was studied with the aim to apply it also to the determination of Hf, Sc and Y. Sample decomposition was carried out by melting with LiBO 2 . The method involves separation and concentration stages, using the cation-exchange resin DOWEX AG 50W-X8. Matrix elements were eluted with 2 mol/l HCl, whereas 6 mol/l HNO 3 with oxalic acid and 8 mol/l HNO 3 were used to elute the elements to be determined. Some of the matrix elements could not be completely removed. This effect as well as the recovery rates of the determined elements were investigated. The measurements were performed by ICP-AES. Spectral interferences were also tested. (orig.). With 1 tab

  4. Glass forming ability: Miedema approach to (Zr, Ti, Hf)-(Cu, Ni) binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Chemical, Materials and Biomolecular Engineering, 191 Auditorium Road, University of Connecticut, Storrs 06269, CT (United States)], E-mail: jbasu@engr.uconn.edu; Murty, B.S. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai 600036 (India); Ranganathan, S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India)

    2008-10-06

    Miedema's approach has been useful in determining the glass forming composition range for a particular alloy system. The concept of mixing enthalpy and mismatch entropy can be used in order to quantify Inoue's criteria of bulk metallic glass formation. In the present study, glass forming composition range has been determined for different binary and ternary (Zr, Ti, Hf)-(Cu, Ni) alloys based on the mixing enthalpy and mismatch entropy calculations. Though copper and nickel appear next to each other in the periodic table, the glass forming ability of the copper and nickel bearing alloys is different. Thermodynamic analysis reveals that the glass forming behaviour of Zr and Hf is similar, whereas it is different from that of Ti. The smaller atomic size of Ti and the difference in the heat of mixing of Ti, Zr, Hf with Cu and Ni leads to the observed changes in the glass forming behaviour. Enthalpy contour plots can be used to distinguish the glass forming compositions on the basis of the increasing negative enthalpy of the composition. This method reveals the high glass forming ability of binary Zr-Cu, Hf-Cu, Hf-Ni systems over a narrow composition range.

  5. Semisolid slurry of 7A04 aluminum alloy prepared by electromagnetic stirring and Sc, Zr additions

    Directory of Open Access Journals (Sweden)

    Jun-wen Zhao

    2017-05-01

    Full Text Available Slurry preparation is one of the most critical steps for semisolid casting, and its primary goal is to prepare slurry with uniformly distributed fine globules. In this work, electromagnetic stirring (EMS and the addition of Sc and Zr elements were used to prepare semisolid slurry of 7A04 aluminum alloy in a large diameter slurry maker. The effects of different treatments on the microstructure, composition and their radial homogeneity were investigated. The results show that, compared to the slurry without any treatment, large volume slurry with finer and more uniform microstructure can be obtained when treated by EMS, Sc, or Zr additions individually. EMS is more competent in the microstructural and chemical homogenization of the slurry while Sc and Zr additions are more excellent in its microstructural refinement. The combined treatment of EMS, Sc and Zr produces premium 7A04 aluminum alloy slurry with uniformly distributed fine α-Al globules and composition. The interaction mechanism between EMS and Sc and Zr additions was also discussed.

  6. Early Stages of Precipitation Process in Al-(Mn-)Sc-Zr Alloy Characterized by Positron Annihilation

    KAUST Repository

    Vlach, Martin; Cizek, Jakub; Melikhova, Oksana; Stulikova, Ivana; Smola, Bohumil; Kekule, Tomas; Kudrnova, Hana; Gemma, Ryota; Neubert, Volkmar

    2015-01-01

    Thermal effects on the precipitation stages in as-cast Al-0.70 at. pct Mn-0.15 at. pct Sc-0.05 at. pct Zr alloy were studied. The role of lattice defects was elucidated by positron annihilation spectroscopy (lifetime and coincidence Doppler broadening) enabling investigation of solutes clustering at the atomic scale. This technique has never been used in the Al-Sc- and/or Al-Zr-based alloys so far. Studies by positron annihilation were combined with resistometry, hardness measurements, and microstructure observations. Positrons trapped at defects are preferentially annihilated by Sc electrons. Lifetime of trapped positrons indicates that Sc atoms segregate at dislocations. Maximum fraction of positrons annihilated by Sc electrons occurring at 453 K (180 °C) suggests that clustering of Sc bound with vacancies takes place. It is followed by peak of this fraction at 573 K (300 °C). A rise of the contribution of trapped positrons annihilated by Zr electrons starting at 513 K (240 °C) and attaining maximum also at 573 K (300 °C) confirms that Zr participates in precipitation of the Al3Sc particles already at these temperatures. The pronounced hardening at 573 K (300 °C) has its nature in the precipitation of the Al3Sc particles with a Zr-rich shell. The contribution of trapped positrons annihilated by Mn electrons was found to be negligible. © 2015, The Minerals, Metals & Materials Society and ASM International.

  7. Early Stages of Precipitation Process in Al-(Mn-)Sc-Zr Alloy Characterized by Positron Annihilation

    KAUST Repository

    Vlach, Martin

    2015-01-29

    Thermal effects on the precipitation stages in as-cast Al-0.70 at. pct Mn-0.15 at. pct Sc-0.05 at. pct Zr alloy were studied. The role of lattice defects was elucidated by positron annihilation spectroscopy (lifetime and coincidence Doppler broadening) enabling investigation of solutes clustering at the atomic scale. This technique has never been used in the Al-Sc- and/or Al-Zr-based alloys so far. Studies by positron annihilation were combined with resistometry, hardness measurements, and microstructure observations. Positrons trapped at defects are preferentially annihilated by Sc electrons. Lifetime of trapped positrons indicates that Sc atoms segregate at dislocations. Maximum fraction of positrons annihilated by Sc electrons occurring at 453 K (180 °C) suggests that clustering of Sc bound with vacancies takes place. It is followed by peak of this fraction at 573 K (300 °C). A rise of the contribution of trapped positrons annihilated by Zr electrons starting at 513 K (240 °C) and attaining maximum also at 573 K (300 °C) confirms that Zr participates in precipitation of the Al3Sc particles already at these temperatures. The pronounced hardening at 573 K (300 °C) has its nature in the precipitation of the Al3Sc particles with a Zr-rich shell. The contribution of trapped positrons annihilated by Mn electrons was found to be negligible. © 2015, The Minerals, Metals & Materials Society and ASM International.

  8. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2017-01-01

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address

  9. Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

    KAUST Repository

    Gandi, Appala; Alshareef, Husam N.; Schwingenschlö gl, Udo

    2016-01-01

    MXenes, M2CO2, where M = Ti, Zr, or Hf, in order to evaluate the effect of the metal M on the thermoelectric performance. The lattice contribution to the thermal conductivity, obtained from the phonon life times, is found to be lowest in Ti2CO2

  10. Study of the hyperfine magnetic field at Ta181 site in the Heusler Co2 Sc Sn, Co2 Sc Ga and Co2 Hf Sn alloys

    International Nuclear Information System (INIS)

    Attili, R.N.

    1992-01-01

    The hyperfine magnetic fields acting on 181 Ta nuclei at the Sc and Hf sites have been measured in Heusler alloys Co 2 Sc Sn and Co 2 Sc Ga and Co 2 Hf Sn using the Time Differential Perturbed γ-γ Angular Correlation (TDPAC) technique. The measurements were carried out using an automatic spectrometer consisting of two Ba F 2 detectors and the conventional electronics. The magnitude of hyperfine magnetic field at 181 Ta was measured for all the alloys. The signs of the were determined in the cases of Co 2 Sc Sn and Co 2 Hf Sn alloys by performing the Perturbed Angular Correlation measurements with an external polarizing magnetic field of ≅ 5 k Gauss. The hyperfine magnetic fields obtained are -187,6± 3,3 and 90,0 ± 2,1 kOe measured at 77 K for Co 2 Sc Sn and Co 2 Sc Ga alloys respectively, and -342,4 ± 10,1 kOe measured at the room temperature for Co 2 Hf Sn alloy. These results are discussed and compared with the hyperfine magnetic field systematics in Co-based Heusler alloy. (author)

  11. Anion exchange behavior of Ti, Zr, Hf, Nb and Ta as homologues of Rf and Db in mixed HF-acetone solutions

    International Nuclear Information System (INIS)

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

    2009-01-01

    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 with charge -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 7 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

  12. Influence of Sc on microstructure and mechanical properties of Al-Si-Mg-Cu-Zr alloy

    Science.gov (United States)

    Li, Yukun; Du, Xiaodong; Zhang, Ya; Zhang, Zhen; Fu, Junwei; Zhou, Shi'ang; Wu, Yucheng

    2018-02-01

    In the present study, the effects of Mg, Cu, Sc and Zr combined additions on the microstructure and mechanical properties of hypoeutectic Al-Si cast alloy were systematically investigated. Characterization techniques such as optical microscopy (OM), scanning electron microscope (SEM), energy dispersive spectrometer (EDS), electron back-scatter diffraction (EBSD), atomic force microscopy (AFM), transmission electron microscope (TEM), Brinell hardness tester and universal testing machine were employed to analyze the microstructure and mechanical properties. The results showed that Sc served as modifier on the microstructure of Al-3Si-0.45Mg-0.45Cu-0.2Zr alloys, including modification of eutectic Si and grains. Extraordinarily, grain refinement was found to be related to the primary particles, which exhibited a close orientation to matrix. After T6 heat treatment, the grain structures were composed of nano-scaled secondary Al3(Sc, Zr) precipitates and spherical eutectic Si. Combined with T6 heat treatment, the highest hardness, yield strength, ultimate tensile strength and elongation were achieved in 0.56 wt.% Sc-modified alloy. Interestingly, the strength and ductility had a similar tendency. This paper demonstrated that combined additions of Mg, Cu, Sc and Zr could significantly improve the microstructure and performance of the hypoeutectic Al-Si cast alloy.

  13. Ionic conductivity of co-doped Sc2O3-ZrO2 ceramics

    DEFF Research Database (Denmark)

    Omar, Shobit; bin Najib, Waqas; Chen, Weiwu

    2012-01-01

    The oxide ionic conductivity of Sc0.18Zr0.82O1.91 doped with 0.5 mol.% of both Yb2O3 and In2O3 is evaluated at various temperatures in air. Among various co-doped compositions, In0.02Sc0.18Zr0.80O1.90 exhibits the highest grain ionic conductivity followed by Yb0.02Sc0.18Zr0.80O1.90 at 500°C....... However, it also possesses phase transformation from c- to β-phase at 475°C on cooling. In the present work, an attempt is made to completely stabilize the cphase in In0.02Sc0.18Zr0.80O1.90 by substituting 0.5 mol.% of In2O3 with Yb2O3, which can enhance the ionic conductivity in co-doped compositions....

  14. Mesocrystals luminescent BaZrHfO{sub 3} synthesized via hydrothermal process assisted by microwave

    Energy Technology Data Exchange (ETDEWEB)

    Fassbender, Rafael Uarth, E-mail: uarth.fisica@gmail.com

    2016-07-01

    Full text: The Barium Zirconate (BaZrO{sub 3}), is a ceramic oxide belonging to the functional group of perovskites (ABO{sub 3}), this compound can be doped with hafniun (Hf) in solid solution by microwave assisted hydrothermal method (MAH) radioluminescent increases their properties. This method allows to obtain barium zirconate at low temperature as 140 deg C and short times as 160 minutes. The choice of Hafnium (Hf) as a dopant is based on its similarity with Zirconium (Zr), another good reason for this choice is that the Hafnium has intrinsic luminescent characteristics. In general, radioluminescent materials have high density and high atomic mass (atomic number of Hafnium is 72), thereby facilitating the absorption of ionizing radiation to convert it into visible light, this characteristic is strongly dependent on the morphology and especially the electronic structure of (BaZrO{sub 3}). This work consisted in production of barium zirconate powders doped 1-2-4-8-16% (Hf) using (MAH) method. For the characterization of the powders was employed methods : a) X-ray diffraction, b) Raman Spectroscopy, c) Xanes, d) photoluminescence spectroscopy. After the electronic and structural characterization the powders were introduced in a polymeric resin (nylon-BZO), one new characterizations will be performed to validate the results obtained in the production of films to the results already obtained for the powders. We conclude so far, that the powders-doped with 16% Hf has an intense luminescent emission compared to the powders with less concentration of Hf. The small structural change that causes the Hf in (BZO) is considered as a secondary factory. (author)

  15. H and D implantation transforms Ti, Zr and Hf into good superconductors

    International Nuclear Information System (INIS)

    Meyer, J.D.; Stritzker, B.

    1981-01-01

    The elements Ti, Zr, and Hf from group IVB with superconducting transition temperatures of Tsub(c) = 0.4, 0.6 and 0.13 K, respectively, were implanted at liquid helium temperature with hydrogen, deuterium and helium. The He implantations were performed to simulate the Tsub(c) enhancement due to lattice disorder introduced during the implantation. In this case, only Zr showed a Tsub(c) increase above the measuring limit of 1 K. On the other hand, the implantation of H and D will change the electronic properties of the materials in addition to lattice damage. Indeed all H and D implantations lead to a substantial increase of Tsub(c). For example, a transition temperature of 4.65 K was achieved in D implanted Zr at a concentration of D/Zr = 0.13. Whereas a pronounced inverse isotope effects was observed for H(D) implanted Zr and Hf, H and D implanted Ti had essentially the same Tsub(c) of 4.9 K. Based on the similarity of most of these results to the Pd-H(D) system [1], similar mechanisms are proposed to explain the experimental observation, i.e: (1) the electron-phonon coupling is enhanced due to coupling to the protons (deuterons) and/or to the optic phonon modes; (2) anharmonic effects are responsible for the inverse isotope effect. (orig.)

  16. Beta decomposition of (Hf/sub x/Zr/sub 1-x/)80Nb20 ternary alloys

    International Nuclear Information System (INIS)

    Jones, W.B.; Taggart, R.; Polonis, D.H.

    1978-01-01

    The processes of beta decomposition have been examined in ternary alloys of the form (Hf/sub x/Zr/sub 1-x/) 80 Nb 20 to determine the influence of Hf additions to a basic Zr 80 Nb 20 composition. In the chill cast condition, Hf additions have been found to decrease the temperature coefficient of electrical resistivity from a value of -0.0015%/K for the binary Zr 80 Nb 20 alloy to a value of -0.011%/K for a (Hf 50 Zr 50 ) 80 Nb 20 ternary alloy. This change is explained in terms of the bcc lattice instability typical of Ti, Zr, and Hf alloys. The Hf additions enhance the kinetics of omega-phase precipitation during aging at 648 K. The aging of a (Hf 05 Zr 95 ) 80 Nb 20 alloy for 12 h results in the precipitation of a high volume fraction of cuboidal shaped omega-phase particles. A phase separation which results in the formation of solute lean discs (β/sub l/) occurs together with the precipitation of the omega-phase. These discs formed both randomly within the matrix and heterogeneously along dislocations and at grain boundaries

  17. Highly ordered nanotubular film formation on Ti–25Nb–xZr and Ti–25Ta–xHf

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jeong-Jae; Byeon, In-Seop [Department of Dental Materials, Research Center of Nano-Interface Activation for Biomaterials, & Research Center for Oral Disease Regulation of the Aged, College of Dentistry, Chosun University, Gwangju (Korea, Republic of); Brantley, William A. [Division of Restorative Sciences and Prosthodontics, College of Dentistry, The Ohio State University, Columbus, OH (United States); Choe, Han-Cheol, E-mail: hcchoe@chosun.ac.kr [Department of Dental Materials, Research Center of Nano-Interface Activation for Biomaterials, & Research Center for Oral Disease Regulation of the Aged, College of Dentistry, Chosun University, Gwangju (Korea, Republic of)

    2015-12-01

    The purpose of this study was to investigate the highly ordered nanotubular film formation on Ti–25Nb–xZr and Ti–25Ta–xHf, examining the roles of niobium, zirconium, tantalum and hafnium alloying elements. The Ti–25Nb–xZr and Ti–25Ta–xHf ternary alloys contained 0, 7 and 15 wt.% of these alloying elements and were manufactured using a vacuum arc-melting furnace. Cast ingots of the alloys were homogenized in Ar atmosphere at 1050 °C for 2 h, followed by quenching into ice water. Formation of nanotubular films was achieved by an electrochemical method in 1 M H{sub 3}PO{sub 4} + 0.8 wt.% NaF at 30 V and 1 h for the Ti–25Nb–xZr alloys and 2 h for the Ti–25Ta–xHf alloys. Microstructures of the Ti–25Ta–xHf alloys transformed from α″ phase to β phase, changing from a needle-like structure to an equiaxed structure as the Hf content increased. In a similar manner, the needle-like structure of the Ti–25Nb–xZr alloys transformed to an equiaxed structure as the Zr content increased. Highly ordered nanotubes formed on the Ti–25Ta–15Hf and Ti–25Nb–15Zr alloys compared to the other alloys, and the nanotube layer thickness on Ti–25Ta–15Hf and Ti–25Nb–15Zr was greater than for the other alloys. Nanotubes formed on Ti–25Ta–15Hf and Ti–25Nb–15Zr showed two sizes of highly ordered structures. The diameters of the large nanotubes decreased and the diameters of the small nanotubes increased as Zr and Hf contents increased. It was found that the layer thickness, diameter, surface density and growth rate of nanotubes on the Ti–25Ta–xHf and Ti–25Nb–xZr alloys can be controlled by varying the Hf and Zr contents. X-ray diffraction analyses revealed only weak peaks for crystalline anatase or rutile TiO{sub 2} phases from the nanotubes on the Ti–25Nb–xZr and Ti–25Ta–xHf alloys, indicating a largely amorphous condition. - Highlights: • Nanotubular film formation on anodized Ti-25Nb-xZr and Ti-25Ta-xHf (x = 0, 7 and

  18. Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  19. Design lateral heterostructure of monolayer ZrS2 and HfS2 from first principles calculations

    Science.gov (United States)

    Yuan, Junhui; Yu, Niannian; Wang, Jiafu; Xue, Kan-Hao; Miao, Xiangshui

    2018-04-01

    The successful fabrication of two-dimensional lateral heterostructures (LHS's) has opened up unprecedented opportunities in material science and device physics. It is therefore highly desirable to search for more suitable materials to create such heterostructures for next-generation devices. Here, we investigate a novel lateral heterostructure composed of monolayer ZrS2 and HfS2 based on density functional theory. The phonon dispersion and ab initio molecular dynamics analysis indicate its good kinetic and thermodynamic stability. Remarkably, we find that these lateral heterostructures exhibit an indirect to direct bandgap transition, in contrast to the intrinsic indirect bandgap nature of ZrS2 and HfS2. The type-II alignment and chemical bonding across the interline have also been revealed. The tensile strain is proved to be an efficient way to modulate the band structure. Finally, we further discuss other three stable lateral heterostructures: (ZrSe2)2(HfSe2)2 LHS, (ZrS2)2(ZrSe2)2 LHS and (HfS2)2(HfSe2)2 LHS. Generally, the lateral heterostructures of monolayer ZrS2 and HfS2 are of excellent electrical properties, and may find potential applications for future electronic devices.

  20. Influence of heat treatment on corrosion behaviour of Al-Zn-Mg-Cu-Zr-Sc alloy

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Y.P.; Liu, X.Y.; He, Y.B. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Pan, Q.L. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Laboratory of Nonferrous Materials Science and Engineering, Ministry of Education, Changsha 410083 (China); Li, W.B. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); School of Civil Engineering, Hunan City University, Yiyang 413000 (China)

    2012-05-15

    Corrosion behaviour of different tempers (namely NA, UA, PA and OA) of Al-Zn-Mg-Cu-Zr-Sc alloy was studied by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), optical microscopy (OM) and transmission electron microscopy (TEM). Over aged (OA) can decrease the susceptibility to exfoliation due to the discontinuous distribution of the {eta} precipitates at the grain boundaries, cause a negative shift of the corrosion potential (E{sub corr}), and lead to the prolonging of the time of the appearance of two time constants in impedance diagrams. In addition, Al-Zn-Mg-Cu-Zr-Sc alloy with over aged treatment has an enhanced resistance to exfoliation corrosion. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Glass-forming ability and stability of ternary Ni-early transition metal (Ti/Zr/Hf) alloys

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Joysurya [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India); Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India)]. E-mail: rangu@met.iisc.ernet.in

    2006-08-15

    Four Ni-bearing Ti, Zr and Hf ternary alloys of nominal composition Zr{sub 41.5}Ti{sub 41.5}Ni{sub 17}, Zr{sub 25}Ti{sub 25}Ni{sub 50}, Zr{sub 41.5}Hf{sub 41.5}Ni{sub 17} and Ti{sub 41.5}Hf{sub 41.5}Ni{sub 17} were rapidly solidified in order to produce ribbons. The Zr-Ti-Ni and Ti-Hf-Ni alloys become amorphous, whereas the Zr-Hf-Ni alloy shows precipitation of a cubic phase. The devitrification of all three alloys was followed and the relative tendency to form nanoquasicrystals and cF96 phases analysed. The relative glass-forming ability of the alloys can be explained by taking into account their atomic size difference. Addition of Ni often leads to quasicrystallisation or quasicrystal-related phases. This can be explained by the atomic radius and heat of mixing of the constituent elements. The phases precipitated at the initial stages of crystallisation indicate the possible presence of Frank-Kasper polyhedral structure in the amorphous alloys. Structural analysis reveals that the Laves and the anti-Laves phases have the same polyhedral structural unit, which is similar to the structural characteristics of glass.

  2. Creep behavior and threshold stress of an extruded Al-6Mg-2Sc-1Zr alloy

    International Nuclear Information System (INIS)

    Deshmukh, S.P.; Mishra, R.S.; Kendig, K.L.

    2004-01-01

    Creep experiments were performed on extruded Al-6Mg-2Sc-1Zr (wt.%) alloy in a temperature range of 423-533 K. A threshold type creep behavior was measured and explained by observed dislocation-particle interactions. The experimental threshold stress values at various temperatures were compared with existing theoretical models. None of the available models could account for the decrease in threshold creep strength with increasing temperature

  3. Ideal solution behaviour of glassy Cu–Ti, Zr, Hf alloys and properties of amorphous copper

    International Nuclear Information System (INIS)

    Ristić, R.; Cooper, J.R.; Zadro, K.; Pajić, D.; Ivkov, J.; Babić, E.

    2015-01-01

    Highlights: • Ideal solution behaviour (ISB) is established in all Cu–Ti, Zr, Hf glassy alloys. • ISB enables reliable estimates for various properties of amorphous Cu. • ISB also impacts glass forming ability in these and probably other similar alloys. - Abstract: A comprehensive study of selected properties of amorphous (a) Cu–TE alloys (TE = Ti, Zr and Hf) has been performed. Data for average atomic volumes of a-Cu–Hf, Ti alloys combined with literature data show that ideal solution behaviour (Vegard’s law) extends over the whole glass forming range (GFR) in all a-Cu–TE alloys. This enables one to obtain an insight into some properties and probable atomic arrangements for both, a-TEs (Ristić et al., 2010) and a-Cu by extrapolation of the data for alloys. Indeed the atomic volumes and other properties studied for all a-Cu–TE alloys extrapolate to the same values for a-Cu. Depending on the property, these values are either close to those of crystalline (c) Cu, or are close to those for liquid (L) Cu. In particular, the electronic transport properties of a-Cu seem close to those of L-Cu, whereas the static properties, such as the density of states, and Young’s modulus, converge to those of c-Cu. The possible impact of these results on our understanding of a-Cu–TE alloys, including glass forming ability, is discussed

  4. Mechanical Properties and Microstructure of TIG and FSW Joints of a New Al-Mg-Mn-Sc-Zr Alloy

    Science.gov (United States)

    Xu, Guofu; Qian, Jian; Xiao, Dan; Deng, Ying; Lu, Liying; Yin, Zhimin

    2016-04-01

    A new Al-5.8%Mg-0.4%Mn-0.25%Sc-0.10%Zr (wt.%) alloy was successfully welded by tungsten inert gas (TIG) and friction stir welding (FSW) techniques, respectively. The mechanical properties and microstructure of the welded joints were investigated by microhardness measurements, tensile tests, and microscopy methods. The results show that the ultimate tensile strength, yield strength, and elongation to failure are 358, 234 MPa, and 27.6% for TIG welded joint, and 376, 245 MPa and 31.9% for FSW joint, respectively, showing high strength and superior ductility. The TIG welded joint fails in the heat-affected zone and the fracture of FSW joint is located in stirred zone. Al-Mg-Mn-Sc-Zr alloy is characterized by lots of dislocation tangles and secondary coherent Al3(Sc,Zr) particles. The superior mechanical properties of the TIG and FSW joints are mainly derived from the Orowan strengthening and grain boundary strengthening caused by secondary coherent Al3(Sc,Zr) nano-particles (20-40 nm). For new Al-Mg-Mn-Sc-Zr alloy, the positive effect from secondary Al3(Sc, Zr) particles in the base metal can be better preserved in FSW joint than in TIG welded joint.

  5. Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

    KAUST Repository

    Gandi, Appala

    2016-02-21

    We present the first report in which the thermoelectric properties of two-dimensional MXenes are calculated by considering both the electron and phonon transport. Specifically, we solve the transport equations of the electrons and phonons for three MXenes, M2CO2, where M = Ti, Zr, or Hf, in order to evaluate the effect of the metal M on the thermoelectric performance. The lattice contribution to the thermal conductivity, obtained from the phonon life times, is found to be lowest in Ti2CO2 and highest in Hf2CO2 in the temperature range from 300 K to 700 K. The highest figure of merit is predicted for Ti2CO2 . The heavy mass of the electrons due to flat conduction bands results in a larger thermopower in the case of n-doping in these compounds.

  6. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys

    KAUST Repository

    Gandi, Appala

    2016-05-09

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. © The Owner Societies 2016.

  7. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2016-01-01

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. © The Owner Societies 2016.

  8. Titrimetric determination of Zr, Hf, Sn, Ta and rare earths in binary oxide systems

    International Nuclear Information System (INIS)

    Flyantikova, G.V.; Chekirda, T.N.; Lasovskaya, O.N.; Migun, N.P.

    1989-01-01

    Proximate method of titrimetric determination of oxides of Zr(4), Hf(4), Sn(4), Ta(5) and rare earths (La, Lu, Nd, Eu, Yb, Y) in binary systems (BS) with high accuracy was developed. A study was made on conditions of decomposition and dissolution of BS by means of their treatment by the mixture of solutions of concentrated sulfuric acid and ammonium sulfate during 2h boiling eith successive complexonometric determination of their components by direct EDTA titration in the presence of xylenol orange. The relative standard deviation when titrating 0.3-9.7mg oxides in BS does not exceed 0.02

  9. Half-Heusler (TiZrHf)NiSn Unileg Module with High Powder Density.

    Science.gov (United States)

    Populoh, Sascha; Brunko, Oliver C; Gałązka, Krzysztof; Xie, Wenjie; Weidenkaff, Anke

    2013-03-27

    (TiZrHf)NiSn half-Heusler compounds were prepared by arc melting and their thermoelectric properties characterized in the temperature range between 325 K and 857 K, resulting in a Figure of Merit ZT ≈ 0.45. Furthermore, the prepared samples were used to construct a unileg module. This module was characterized in a homemade thermoelectric module measurement stand and yielded 275 mW/cm² and a maximum volumetric power density of 700 mW/cm³. This was reached using normal silver paint as a contacting material; from an improved contacting, much higher power yields are to be expected.

  10. Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

    International Nuclear Information System (INIS)

    Luo, S. Y.; Cui, Y. Y.; Dai, Y.; Li, J. H.; Liu, B. X.

    2012-01-01

    Under the framework of smoothed and long range second-moment approximation of tight-binding, a realistic interatomic potential was first constructed for the Cu-Zr-Hf ternary metal system. Applying the constructed potential, Monte Carlo simulations were carried out to compare the relative stability of crystalline solid solution versus its disordered counterpart over the entire composition triangle of the system (as a function of alloy composition). Simulations not only reveal that the origin of metallic glass formation but also determine, in the composition triangle, a quadrilateral region, within which metallic glass formation is energetically favored. It is proposed to define the energy differences between the crystalline solid solutions and disordered states as the driving force for amorphization and the corresponding calculations pinpoint an optimized composition locating at an composition of Cu 55 Zr 10 Hf 35 , around which the driving force for metallic glass formation reaches its maximum, suggesting that the ternary Cu-Zr-Hf metallic glasses designed to have the compositions around Cu 55 Zr 10 Hf 35 could be more stable than other alloys in the system. Moreover, for the Cu 55 Zr 10 Hf 35 metallic glass, the Voronoi tessellation calculations reveal some interesting features of its atomic configurations and coordination polyhedra distribution.

  11. A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

    International Nuclear Information System (INIS)

    Huang, Y.J.; Shen, J.; Sun, J.F.; Yu, X.B.

    2007-01-01

    The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti 41.5 Zr 2.5 Hf 5 Cu 42.5-x Ni 7.5 Si 1 Sn x (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy. The activation energies for glass transition and crystallization for Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy also possesses superior mechanical properties

  12. A new class of materials with promising thermoelectric properties: MNiSn (M=Ti, Zr, Hf)

    Energy Technology Data Exchange (ETDEWEB)

    Hohl, H; Ramirez, A P; Kaefer, W; Fess, K; Thurner, Ch; Kloc, Ch; Bucher, E

    1997-07-01

    TiNiSn, ZrNiSn and HfNiSn are members of a large group of intermetallic compounds which crystallize in the cubic MgAgAs-type structure. Polycrystalline samples of these compounds have been prepared and investigated for their thermoelectric properties. With thermopowers of about {minus}200 {micro}V/K and resistivities of a few m{Omega}cm, power factors S{sup 2}/{rho} as high as 38 {micro}W/K{sup 2}cm were obtained at 700 K. These remarkably high power factors are, however, accompanied by a thermal conductivity, solid solutions Zr{sub 1{minus}x}Hf{sub x}NiSn, Zr{sub 1{minus}x}Ti{sub x}NiSn, and Hf{prime}{sub 1{minus}x}Ti{sub x}NiSn were formed. The figure of merit of Zr{sub 0.5}Hf{sub 0.5}NiSn at 700 K (ZT = 0.41) exceeds the end members ZrNiSn (ZT = 0.26) and HfNiSn (ZT = 0.22).

  13. Validation of Zr and Hf analysis contained on water phase using k_0-neutron activation analysis method

    International Nuclear Information System (INIS)

    Wisjachudin Faisa; Sutisna

    2010-01-01

    At conversion of Zr-sand to Zircon Oxide, the Hf content in product process should not be more than 100 ppm. While Zr and Hf are two elements that have a similar chemical property Hs, they are difficult to analyze by ordinary chemical analysis. One of reliable analytical method that can be used to quantify Zr and Hf is the instrumental neutron activation analysis. Related to this problem, a result of k_0-Instrumental Neutron Activation Analysis (k_0-INAA) on Zr and Hf (in aqueous phase) has been validated. A number of 200 µL SPEX Pure standard solution which have a concentration of 1 g/L pipeted into a cleaned micro vial, then dried at a temperature of 40°C for 24 hours. Samples, together with flux monitors, were irradiated simultaneously at 15 MW power (thermal neutron flux around 4.1 x 10"1"7n. m"-"2.s"-"1) for 30 minutes in the rabbit facility of GA. Siwabessy reactor. Counting of the irradiated sample have been done using a high resolution HPGe detector (FWHM = 1.9 keV at Eγ 1332.5 keV of "6"0Co,Peak to Compton ratio ~ 40). The analytical results showed a relative standard deviation (RSD) of Zr is 6.6 % with average uncertainty of 3.08 % and a detection limit of 0.1 mg, while RSD of Hf = 8.2 %, with average uncertainty of 8.04 % and a detection limit of 0.3 mg. Recovery obtained was 106,0 % and 96,0 % for Zr and Hf respectively. These results are relatively better compared to the previous result using the Standard Reference Material (SRM) 1633b Coal Fly Ash which have RSD Hf was 20.6 %. (author)

  14. Anion exchange behaviour of Zr, Hf, Nb, Ta and Pa as homologues of RF and Db in fluoride medium

    Energy Technology Data Exchange (ETDEWEB)

    Monroy G, F. [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Trubert, D.; Brillard, L.; Hussonnois, M.; Constantinescu, O.; Le Naour, C., E-mail: fabiola.monroy@inin.gob.m [Institut de Physique Nucleaire, F-91406 Orsay, France (France)

    2010-07-01

    Studies of the chemical property of trans actinide elements are very difficult due to their short half-lives and extremely small production yields. However it is still possible to obtain considerable information about their chemical properties, such as the most stable oxidation states in aqueous solution, complexing ability, etc., comparing their behaviour with their lighter homologous in the periodic table. In order to obtain a better knowledge of the behaviour of rutherfordium, RF (element 104), dub nium, Db (element 105) in HF medium, the sorption properties of Zr, Hf, Nb, Ta an Pa, homologues of RF and Db, were studied in NH{sub 4}F/HClO{sub 4} medium in this work. Stability constants of the fluoride complexes of these elements were experimentally obtained from K{sub d} obtained at different F{sup -} and H{sup +} concentrations. The anionic complexes: [Zr(Hf)F{sub 5}]{sup -}, [Zr(Hf)F{sub 6}]{sup 2-}, [Zr(Hf)F{sub 7}]{sup 3-}, [Ta(Pa)F{sub 6}]{sup -}, [Ta(Pa)F{sub 7}]{sup 2-}, [Ta(Pa)F{sub 8}]{sup 3-}, [NbOF{sub 4}]{sup -} and [NbOF{sub 5}]{sup 2-} are present as predominant species in the HF range over investigation. (Author)

  15. Anion exchange behaviour of Zr, Hf, Nb, Ta and Pa as homologues of RF and Db in fluoride medium

    International Nuclear Information System (INIS)

    Monroy G, F.; Trubert, D.; Brillard, L.; Hussonnois, M.; Constantinescu, O.; Le Naour, C.

    2010-01-01

    Studies of the chemical property of trans actinide elements are very difficult due to their short half-lives and extremely small production yields. However it is still possible to obtain considerable information about their chemical properties, such as the most stable oxidation states in aqueous solution, complexing ability, etc., comparing their behaviour with their lighter homologous in the periodic table. In order to obtain a better knowledge of the behaviour of rutherfordium, RF (element 104), dub nium, Db (element 105) in HF medium, the sorption properties of Zr, Hf, Nb, Ta an Pa, homologues of RF and Db, were studied in NH 4 F/HClO 4 medium in this work. Stability constants of the fluoride complexes of these elements were experimentally obtained from K d obtained at different F - and H + concentrations. The anionic complexes: [Zr(Hf)F 5 ] - , [Zr(Hf)F 6 ] 2- , [Zr(Hf)F 7 ] 3- , [Ta(Pa)F 6 ] - , [Ta(Pa)F 7 ] 2- , [Ta(Pa)F 8 ] 3- , [NbOF 4 ] - and [NbOF 5 ] 2- are present as predominant species in the HF range over investigation. (Author)

  16. Effect of the Size of Al3(Sc,Zr) Precipitates on the Structure of Multi-Directionally Isothermally Forged Al-Mg-Sc-Zr Alloy

    Science.gov (United States)

    Sitdikov, O. Sh.; Avtokratova, E. V.; Mukhametdinova, O. E.; Garipova, R. N.; Markushev, M. V.

    2017-12-01

    The effect of Al3(Sc,Zr) dispersoids on the evolution of the cast Al-Mg-Sc-Zr alloy structure under multi-directional isothermal forging (MIF) has been investigated. The alloy, which has an equiaxed grain structure with a grain size of 25 μm and contains dispersoids 5-10 and 20-50 nm in size after onestage (at 360°C for 6 h) and two-stage (360°C for 6 h + 520°C for 1 h) annealing, respectively, was deformed at 325°C ( 0.65 T m) up to cumulative strains of e = 8.4. In the initial stages of MIF, new fine (sub)grains surrounded by low-angle and high-angle boundaries (HABs) were formed near the initial grain boundaries. With increasing strain, the volume fraction and misorientation of these crystallites increased, which led to the replacement of a coarse-grained structure with a fine-grained one with a grain size of 1.5-2.0 μm. Dynamic recrystallization occurred in accordance to a continuous mechanism and was controlled by the interaction of lattice dislocations and/or (sub)grain boundaries with dispersoids that effectively inhibited the migration of boundaries, as well as the rearrangement of lattice dislocations and their annihilation. The particle size and the density of their distribution significantly affected the parameters of the evolved structure; in an alloy with smaller particles, a structure with a smaller grain size and a larger HAB fraction developed.

  17. Thermomechanical processing of aluminum micro-alloyed with Sc, Zr, Ti, B, and C

    Science.gov (United States)

    McNamara, Cameron T.

    Critical exploration of the minimalistic high strength low alloy aluminum (HSLA-Al) paradigm is necessary for the continued development of advanced aluminum alloys. In this study, scandium (Sc) and zirconium (Zr) are examined as the main precipitation strengthening additions, while magnesium (Mg) is added to probe the synergistic effects of solution and precipitation hardening, as well as the grain refinement during solidification afforded by a moderate growth restriction factor. Further, pathways of recrystallization are explored in several potential HSLA-Al syste =ms sans Sc. Aluminum-titanium-boron (Al-Ti-B) and aluminum-titanium-carbon (Al-Ti-C) grain refining master alloys are added to a series of Al-Zr alloys to examine both the reported Zr poisoning effect on grain size reduction and the impact on recrystallization resistance through the use of electron backscattered diffraction (EBSD) imaging. Results include an analysis of active strengthening mechanisms and advisement for both constitution and thermomechanical processing of HSLA-Al alloys for wrought or near-net shape cast components. The mechanisms of recrystallization are discussed for alloys which contain a bimodal distribution of particles, some of which act as nucleation sites for grain formation during annealing and others which restrict the growth of the newly formed grains.

  18. Influence of small additions of Sc and Zr on structure and mechanical properties of Al-Zn-Mg-Cu alloy

    International Nuclear Information System (INIS)

    Kajgorodova, L.I.; Sel'nikhina, E.I.; Tkachenko, E.A.; Senatorova, O.G.

    1996-01-01

    A study was made into Sc and Zr addition effects on grain structure formation, supersaturated solid solution decomposition and mechanical properties of Al-7%Zn-2%Mg-1.2%Cu alloy. It is shown that grain structure is determined by volume fraction and distribution character of disperse particles of Al 3 Sc and Al 3 (Sc 1-x Zr x ). The reason for additives influence on decomposition kinetics during natural and artificial ageing are revealed. The structural factors responsible for the enhancement of mechanical properties on alloying are discussed. 17 refs.; 5 figs.; 2 tabs

  19. Magnetic Compton scattering study of Laves phase ZrFe2 and Sc doped ZrFe2: Experiment and Green function based relativistic calculations

    Science.gov (United States)

    Bhatt, Samir; Mund, H. S.; Kumar, Kishor; Bapna, Komal; Dashora, Alpa; Itou, M.; Sakurai, Y.; Ahuja, B. L.

    2018-05-01

    Spin momentum densities of ferromagnetic ZrFe2 and Zr0.8Sc0.2Fe2 have been measured using magnetic Compton scattering with 182.65 keV circularly polarized synchrotron radiations. Site specific spin moments, which are responsible for the formation of total spin moment, have been deduced from Compton line shapes. At room temperature, the computed spin moment of ZrFe2 is found to be slightly higher than that of Sc doped ZrFe2 which is in consensus with the magnetization data. To compare the experimental data, we have also computed magnetic Compton profiles (MCPs), total and partial spin projected density of states (DOS) and the site specific spin moments using spin-polarized relativistic Korringa-Kohn-Rostoker method. It is observed that the spin moment at Fe site is aligned antiparallel to that of Zr site in both ZrFe2 and Zr0.8Sc0.2Fe2. The MCP results when compared with vibrating sample magnetometer based magnetization data, show a very small contribution of orbital moment in the formation of total magnetic moments in both the compounds. The DOS of ferromagnetic ground state of ZrFe2 and Zr0.8Sc0.2Fe2 are interpreted on the basis of a covalent magnetic model beyond the Stoner rigid band model. It appears that on alloying between a magnetic and a non-magnetic partner (with low valence), a polarization develops on the non-magnetic atom which is anti-parallel to that of the magnetic atom.

  20. Separation of zirconium (Zr) and hafnium (Hf) using solvent mixture of TBP-D_2EHPA and amberlite XAD-16

    International Nuclear Information System (INIS)

    Dwi Biyantoro; I Made Sukarna; Agus Suyanto

    2017-01-01

    The aims of this research were to determine the composition (ratio of extractant and resin) of the SIR which is effective for the separation of Zr and Hf, knowing adsorption equilibrium models Zr and Hf using the SIR, and knowing the most effective adsorption results from SIR weight ratio. The research was conducted by using the SIR method that is impregnating the extractant into the resin. Extractant used is a mixture of TBP and D_2EHPA (1 : 3), the resin used is XAD-16, and the feed used is ZOC. This research was conducted by varying the composition of the SIR, after the result of effective SIR variation. Adsorption process is then performed using the ZOC with SIR. Then filtered, the filtrate was analyzed by XRF. While solids SIR adsorption product was desorbed using sulfuric acid. Then the desorption results were analyzed using XRF spectrometer. Based on calculations, the results of the most effective SIR composition for the separation of Zr-Hf are comparison extractant and resin = 5:5 either for the dry method and wet method, the equilibrium equations for Zr approaching Langmuir equilibrium models while the equilibrium equation for Hf approaching Freundlich equilibrium models which the most effective adsorption results that bait comparison with the SIR = 10 mL : 5 g with β = 0.1831; η Zr = 26.39 % and η Hf = 66.19 % for dry method and β = 0.1557; η Zr = 25.17 % and η Hf = 68.36 % for wet method. From result desorption process was 2 M H_2SO_4. (author)

  1. ZrCu2P2 and HfCu2P2 phosphides and their crystal structure

    International Nuclear Information System (INIS)

    Lomnitskaya, Ya.F.

    1986-01-01

    Isostructural ZrCu 2 P 2 and HfCu 2 P 2 compounds are prepared for the first time. X-ray diffraction analysis (of powder, DRON-2.0 diffractometer, FeKsub(α) radiation) was used to study crystal structure of HfCu 2 P 2 phosphide belonging to the CaAl 2 Si 2 structural type (sp. group P anti 3 m 1, R=0.095). Lattice parameters the compounds are as follows: for ZrCu 2 P 2 a=0.3810(1), c=0.6184(5); for HfCu 2 P 2 a=0.3799(1), c=0.6160(2) (nm). Atomic parameters in the HfCu 2 P 2 structure and interatomic distances are determined

  2. Fatigue and strain effects in NbTi, Nb3Sn, and V2(Hf, Zr) multifilamentary superconductors

    International Nuclear Information System (INIS)

    Kuroda, T.; Wada, H.; Tachikawa, K.

    1988-01-01

    The effects of cyclic strain on critical current were studied in NbTi, bronze processed Nb 3 Sn, and composite diffusion processed V 2 (Hf,Zr) multifilamentary wires. No appreciable changes in critical current were found in NbTi wires until just prior to fatigue-induced fracture. Critical current degradation was also not observed in Nb 3 Sn or V 2 (Hf,Zr) as long as the wires were strained below the reversible limit strain. For strains beyond this limit strain the critical current was first degraded by an increasing number of cycles and then remained constant after a certain cycle number was passed

  3. Characterization of semi-solid processing of aluminium alloy 7075 with Sc and Zr additions

    Energy Technology Data Exchange (ETDEWEB)

    Rogal, Ł., E-mail: l.rogal@imim.pl [Institute of Metallurgy and Materials Science of the Polish Academy of Sciences, 25 Reymonta St., 30-059 Krakow (Poland); Dutkiewicz, J. [Institute of Metallurgy and Materials Science of the Polish Academy of Sciences, 25 Reymonta St., 30-059 Krakow (Poland); Atkinson, H.V. [The University of Leicester, Department of Engineering University Road, Leicester, LE1 7RH (United Kingdom); Lityńska-Dobrzyńska, L.; Czeppe, T. [Institute of Metallurgy and Materials Science of the Polish Academy of Sciences, 25 Reymonta St., 30-059 Krakow (Poland); Modigell, M. [RWTH Aachen—Department of Mechanical Process Engineering, 55 Templergraben St., Aachen (Germany)

    2013-09-15

    For thixoforming (semi-solid processing) it is necessary to have a fine globular microstructure in a semi-solid range. Here this has been obtained for 7075 aluminium alloy by addition of modifying agents: 0.5 weight % of scandium and zirconium. The thixoforming process was carried out at 632 °C which gave about 23 volume % of liquid phase. The microstructure of the thixo-formed part (a rotor) consisted of globular grains surrounded by precipitates of secondary phase. The average hardness of thixo-formed parts was 105 HV{sub 5} and the tensile strength 300 MPa. T6 heat treatments were performed with solutionisation at 450 °C for 30 min and 10 h. In both cases the ageing time was set as 18 h at 120 °C. The heat treatments led to an increase in average tensile strength up to 495 MPa. Transmission Electron Microscopy (TEM) analysis enabled the identification of precipitates of the metastable dispersoids of L1{sub 2}–Al{sub 3} (Zr, Sc) and η′ (MgZn{sub 2}) phases in the alloy after the thixoforming and T6 treatment. The measurements of rheological properties of 7075Al alloy with Sc and Zr additions in the semi-solid range indicated an increase of particle size and spheroidization leading to an observable decrease of viscosity during isothermal shearing. A shear rate jump experiment showed that with increasing shear rate the viscosity rapidly falls.

  4. Microstructure and tensile properties of Fe-40 at. pct Al alloys with C, Zr, Hf, and B additions

    Science.gov (United States)

    Gaydosh, D. J.; Draper, S. L.; Nathal, M. V.

    1989-01-01

    The influence of small additions of C, Zr, and Hf, alone or in combination with B, on the microstructure and tensile behavior of substoichiometric FeAl was investigated. Tensile properties were determined from 300 to 1100 K on powder which was consolidated by hot extrusion. All materials possessed some ductility at room temperature, although ternary additions generally reduced ductility compared to the binary alloy. Adding B to the C- and Zr-containing alloys changed the fracture mode from intergranular to transgranular and restored the ductility to approximately 5 percent elongation. Additions of Zr and Hf increased strength up to about 900 K. Fe6Al6Zr and Fe6Al6Hf precipitates, both with identical body-centered tetragonal structures, were identified as the principal second phase in these alloys. Strength decreased steadily as temperature increased above 700 K, as diffusion-assisted mechanisms became operative. Although all alloys had similar strengths at 1100 K, Hf additions significantly improved high-temperature ductility by suppressing cavitation.

  5. Thermal and electric conductivity of Cu50Zr35Ti8Hf5Nb2 volume amorphous alloy

    International Nuclear Information System (INIS)

    Gavrenko, O.A.; Merisov, B.A.; Mikhajlova, T.N.; Molokanov, V.V.; Sologubenko, A.V.; Khadzhaj, G.Ya.

    1996-01-01

    The temperature dependences of thermal conductivity and electric resistance of the Cu 50 Zr 35 Ti 8 Hf 5 Nb 2 volume amorphous alloy experimentally studied within the temperature range of 1.8-240 K. The temperature dependence of electrical resistance is well described by the ratio, taking into account the electron scattering on the phonons and in the two-level systems

  6. Structure and physical properties of ternary uranium transition-metal antimonides U3MSb5 (M = Zr, Hf, Nb)

    International Nuclear Information System (INIS)

    Tkachuk, Andriy V.; Muirhead, Craig P.T.; Mar, Arthur

    2006-01-01

    The ternary uranium transition-metal antimonides U 3 MSb 5 (M = Zr, Hf, Nb) were prepared by arc-melting reactions followed by annealing at 800 deg. C, or by use of a Sn flux. These compounds extend the previously known series U 3 MSb 5 (M = Ti, V, Cr, Mn) and RE 3 MSb 5 (RE = La, Ce, Pr, Nd, Sm; M = Ti, Zr, Hf, Nb). The crystal structures of U 3 MSb 5 were determined by single-crystal X-ray diffraction data (Pearson symbol hP18, hexagonal, space group P6 3 /mcm, Z = 2; U 3 ZrSb 5 , a = 9.2223(3) A, c = 6.1690(2) A; U 3 HfSb 5 , a = 9.2084(4) A, c = 6.1629(3) A; U 3 NbSb 5 , a = 9.1378(4) A, c 6.0909(6) A). U 3 TaSb 5 has also been identified in microcrystalline form (a = 9.233(3) A, c = 6.142(3) A). Four-probe electrical resistivity measurements on single crystals and dc magnetic susceptibility measurements on powders indicated prominent transitions that are attributed to ferromagnetic ordering. The Curie temperatures, T C , located from ac magnetic susceptibility curves, are 135 K for U 3 ZrSb 5 , 141 K for U 3 HfSb 5 , and 107 K for U 3 NbSb 5

  7. First-principles study of lattice thermal conductivity in ZrTe5 and HfTe5

    Science.gov (United States)

    Wang, Cong; Wang, Haifeng; Chen, Y. B.; Yao, Shu-Hua; Zhou, Jian

    2018-05-01

    Recently, the layered transition-metal pentatellurides ZrTe5 and HfTe5 have attracted increasing attention because of their interesting topological electronic properties. Nevertheless, some of their other good physical properties seem to be ignored now. Actually, both ZrTe5 and HfTe5 have high electric conductivities (>105 Ω-1 m-1) and Seebeck coefficients (> 100 μV/K) at room temperature, thus making them promising thermoelectric materials. However, the disadvantage is that the thermal conductivities of the two materials are relatively high according to the few available experiments; meanwhile, the detailed mechanism of the intrinsic thermal conductivity has not been studied yet. Based on the density functional theory and the Boltzmann transport theory, we present here the theoretical study of the intrinsic lattice thermal conductivities of ZrTe5 and HfTe5, which are found to be in the range of 5-8 W/mṡK at room temperature and well consistent with the experimental results. We also find that the thermal conductivities of the two materials are anisotropic, which are mainly caused by their anisotropic crystal structures. Based on the detailed analysis, we proposed that the thermal conductivities of the two materials could possibly be reduced by different kinds of structural engineering at the atomic and mesoscopic scales, such as alloying, doping, nano-structuring, and polycrystalline structuring, which could make ZrTe5 and HfTe5 good thermoelectric materials for room temperature thermoelectric applications.

  8. Zr, Hf, Mo and W-containing oxide phases as pinning additives in Bi-2212 superconductor

    International Nuclear Information System (INIS)

    Makarova, M.V.; Kazin, P.E.; Tretyakov, Yu.D.; Jansen, M.; Reissner, M.; Steiner, W.

    2005-01-01

    Phase formation was investigated in Bi-Sr-Ca-Cu-M-O (M = Mo, W) systems at 850-900 deg C. It was found that Sr 2 CaMO 6 phases were chemically compatible with Bi-2212. The composites Bi-2212-Sr 2 CaMO 6 and Bi-2212-SrAO 3 (A = Zr, Hf) were obtained from a sol-gel precursor using crystallisation from the melt. The materials consisted of Bi-2212 matrix and submicron or micron grains of the corresponding dispersed phase. T c was equal or exceeded that for undoped Bi-2212, reaching T c = 97 K in the Mo-containing composite. The composites exhibited enhanced pinning in comparison with similar prepared pure Bi-2212, especially at T = 60 K. The best pinning parameters were observed for the Bi-2212-Sr 2 CaWO 6 composite

  9. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala

    2017-09-18

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address the effects of doping. While many half-Heuser alloys show excellent thermoelectric performance, the materials under study are special by supporting both n- and p-doping. We identify the reasons for this balanced thermoelectric transport and explain why experimentally p-doping is superior to n-doping. We also determine the spectrum of phonon mean free paths to guide grain refinement methods to enhance the thermoelectric figure of merit.

  10. Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

    Energy Technology Data Exchange (ETDEWEB)

    Schurz, Christian M.; Shlyk, Larysa; Schleid, Thomas; Niewa, Rainer [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2011-07-01

    Two different polymorphs of the metal nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I) are known to crystallize in layered structures. The two crystal structures differ in the way {sub {infinity}}{sup 2}{l_brace}X[M{sub 2}N{sub 2}]X{r_brace} slabs are stacked along the c-axes. Metal atoms and/or organic molecules can be intercalated into the van-der-Waals gap between these layers. After such an electron-doping via intercalation the prototypic band insulators change into superconductors with moderate high critical temperatures T{sub c} up to 25.5 K. This review gathers information on synthesis routes, structural characteristics and properties of the prototypic nitride halides and the derivatives after electron-doping with a focus on superconductivity. (orig.)

  11. Electric transport properties of the pentatelluride materials HfTe{sub 5} and ZrTe{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Tritt, T M; Wilson, M L; Littleton, R L [and others

    1997-07-01

    The authors have measured the resistivity and thermopower of single crystals as well as polycrystalline pressed powders of the low-dimensional pentatelluride materials: HfTe{sub 5} and ZrTe{sub 5}. They have performed these measurements as a function of temperature between 5K and 320K. In the single crystals there is a peak in the resistivity for both materials at a peak temperature, T{sub p} where T{sub p} {approx} 80K for HfTe{sub 5} and T{sub p} {approx} 145K for ZrTe{sub 5}. Both materials exhibit a large p-type thermopower around room temperature which undergoes a change to n-type below the peak. These data are similar to behavior observed previously in these materials. They have also synthesized pressed powders of polycrystalline pentatelluride materials, HfTe{sub 5} and ZrTe{sub 5}. They have measured the resistivity and thermopower of these polycrystalline materials as a function of temperature between 5K and 320K. For the polycrystalline material, the room temperature thermopower for each of these materials is relatively high, +95 {micro}V/K and +65 {micro}V/K for HfTe{sub 5} and ZrTe{sub 5}, respectively. These values compare closely to thermopower values for single crystals of these materials. At 77 K, the thermopower is +55 {micro}V/K for HfTe{sub 5} and +35 {micro}V/K for ZrTe{sub 5}. In fact, the thermopower for the polycrystals decreases monotonically with temperature to T {approx} 5K, thus exhibiting p-type behavior over the entire range of temperature. As expected, the resistivity for the polycrystals is higher than the single crystal material, with values of 430 m{Omega}-cm and 24 m{Omega}-cm for HfTe{sub 5} and ZrTe{sub 5} respectively, compared to single crystal values of 0.35 m{Omega}-cm (HfTe{sub 5}) and 1.0 m{Omega}-cm (ZrTe{sub 5}). The authors have found that the peak in the resistivity evident in both single crystal materials is absent in these polycrystalline materials. They will discuss these materials in relation to their potential as

  12. Ionic conductivity of Ca and Mg doped NdGdZr1.95Sc0.05O7

    International Nuclear Information System (INIS)

    Anithakumari, P.; Mandal, B.P.; Grover, V.; Tyagi, A.K.; Mishra, A.K.

    2014-01-01

    The ionic conductivity of pyrochlore based materials makes them promising candidates for fuel-cell applications where high ionic conductivity and low activation energy are desired. Earlier it has been reported that 5%Sc doped GdNdZr 2 O 7 shows highest ionic conductivity. In this present work, an attempt has been made to further increase the oxygen vacancy concentration by the incorporation of Ca 2+ and Mg 2+ ions at A site of NdGdZr 1.95 Sc 0.05 O 7 (NGZS)

  13. Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP

    Energy Technology Data Exchange (ETDEWEB)

    Lamichhane, Tej N.; Taufour, Valentin; Kaluarachchi, Udhara S.; Bud' ko, Sergey L.; Canfield, Paul C. [Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); The Ames Laboratory, US Department of Energy, Iowa State University, Ames, Iowa 50011 (United States); Masters, Morgan W. [Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); Parker, David S. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Thimmaiah, Srinivasa [The Ames Laboratory, US Department of Energy, Iowa State University, Ames, Iowa 50011 (United States)

    2016-08-29

    ZrMnP and HfMnP single crystals are grown by a self-flux growth technique, and structural as well as temperature dependent magnetic and transport properties are studied. Both compounds have an orthorhombic crystal structure. ZrMnP and HfMnP are ferromagnetic with Curie temperatures around 370 K and 320 K, respectively. The spontaneous magnetizations of ZrMnP and HfMnP are determined to be 1.9 μ{sub B}/f.u. and 2.1 μ{sub B}/f.u., respectively, at 50 K. The magnetocaloric effect of ZrMnP in terms of entropy change (ΔS) is estimated to be −6.7 kJ m{sup −3} K{sup −1} around 369 K. The easy axis of magnetization is [100] for both compounds, with a small anisotropy relative to the [010] axis. At 50 K, the anisotropy field along the [001] axis is ∼4.6 T for ZrMnP and ∼10 T for HfMnP. Such large magnetic anisotropy is remarkable considering the absence of rare-earth elements in these compounds. The first principle calculation correctly predicts the magnetization and hard axis orientation for both compounds, and predicts the experimental HfMnP anisotropy field within 25%. More importantly, our calculations suggest that the large magnetic anisotropy comes primarily from the Mn atoms, suggesting that similarly large anisotropies may be found in other 3d transition metal compounds.

  14. A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Y.J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Shen, J. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)]. E-mail: junshen@hit.edu.cn; Sun, J.F. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Yu, X.B. [Lab of Energy Science and Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)]. E-mail: yuxuebin@hotmail.com

    2007-01-16

    The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 42.5-x}Ni{sub 7.5}Si{sub 1}Sn {sub x} (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy. The activation energies for glass transition and crystallization for Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti{sub 41.5}Zr{sub 2.5}Hf{sub 5}Cu{sub 37.5}Ni{sub 7.5}Si{sub 1}Sn{sub 5} alloy also possesses superior mechanical properties.

  15. Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP

    International Nuclear Information System (INIS)

    Lamichhane, Tej N.; Taufour, Valentin; Kaluarachchi, Udhara S.; Bud'ko, Sergey L.; Canfield, Paul C.; Masters, Morgan W.; Parker, David S.; Thimmaiah, Srinivasa

    2016-01-01

    ZrMnP and HfMnP single crystals are grown by a self-flux growth technique, and structural as well as temperature dependent magnetic and transport properties are studied. Both compounds have an orthorhombic crystal structure. ZrMnP and HfMnP are ferromagnetic with Curie temperatures around 370 K and 320 K, respectively. The spontaneous magnetizations of ZrMnP and HfMnP are determined to be 1.9 μ_B/f.u. and 2.1 μ_B/f.u., respectively, at 50 K. The magnetocaloric effect of ZrMnP in terms of entropy change (ΔS) is estimated to be −6.7 kJ m"−"3 K"−"1 around 369 K. The easy axis of magnetization is [100] for both compounds, with a small anisotropy relative to the [010] axis. At 50 K, the anisotropy field along the [001] axis is ∼4.6 T for ZrMnP and ∼10 T for HfMnP. Such large magnetic anisotropy is remarkable considering the absence of rare-earth elements in these compounds. The first principle calculation correctly predicts the magnetization and hard axis orientation for both compounds, and predicts the experimental HfMnP anisotropy field within 25%. More importantly, our calculations suggest that the large magnetic anisotropy comes primarily from the Mn atoms, suggesting that similarly large anisotropies may be found in other 3d transition metal compounds.

  16. Site preference of metal atoms in Gd_5_-_xM_xTt_4 (M = Zr, Hf; Tt = Si, Ge)

    International Nuclear Information System (INIS)

    Yao, Jinlei; Mozharivskyj, Yurij

    2011-01-01

    Zirconium and hafnium were incorporated into the Gd_5Ge_4 and Gd_5Si_4 parent compounds in order to study the metal-site occupation in the M_5X_4 magnetocaloric phases (M = metals; X = p elements) family. The Gd_5_-_xZr_xGe_4 phases adopt the orthorhombic Sm_5Ge_4-type (space group Pnma) structure for x ≤ 1.49 and the tetragonal Zr_5Si_4-type (P4_12_12) structure for x ≥ 1.77. The Gd_5_-_xHf_xSi_4 compounds crystallize in the orthorhombic Gd_5Si_4-type (Pnma) structure for x ≤ 0.41 and the Zr_5Si_4-type structure for x ≥ 0.7. In both systems, single-crystal X-ray diffraction reveals that the Zr/Hf atoms preferentially occupy the slab-surface M2 and slab-center M3 sites, both of which have a significantly larger Zr/Hf population than the slab-surface M1 site. The metal-site preference, i.e. the coloring problem on the three metal sites, is discussed considering geometric and electronic effects of the local coordination environments. The analysis of the metal-site occupation in Gd_5_-_xZr_xGe_4 and Gd_5_-_xHf_xSi_4 as well as other metal-substituted M_5X_4 systems suggests that both geometric and electronic effects can be used to explain the metal-site occupation. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Positive effect of Sc and Zr on globular microstructure formation in AA7075 thixoforming feedstock

    International Nuclear Information System (INIS)

    Rogal, L.; Dutkiewicz, J.; Litynska-Dobrzanska, L.; Olszowska-Sobieraj, B.; Modigell, M.

    2011-01-01

    One of methods of obtaining a fine globular microstructure in a semi-solid range, necessary for thixoforming process, is modifiers additions. For this purpose 0.5 weight percent of modifying elements-scandium and zirconium-was added to 7075 alloy. The microstructure of such alloy consisted of homogeneously distributed globular grains of solid solution with the following chemical composition: Mg - 1.9%, Al - 91.6%, Cu - 1.0%, Zn - 5.5%(all in wt.%). Quantitative metallographic analysis showed that the average grain size was 23.5 μm, much smaller than in the alloy without additions and 3.08% volume fraction of precipitates in the form of a layer between spherical α(Al) grains. X-ray phase analysis of the 7075 alloy with Sc and Zr additions confirmed the dominant presence of aluminum solid solution and the intermetallic hexagonal phase MgZn 2 . Electron diffraction pattern confirmed location of ηMgZn 2 phase at the grain boundaries. EDS chemical analysis of the ηMgZn 2 phase showed following content of elements: Mg - 17.2%, Al - 20.4%, Cu - 27.8%, Zn - 34.6%. The larger amount of Cu and Al indicated non-stoichiometry of the η phase, which can be presented with a formula [Mg(Zn,Al,Cu) 2 ]. Additionally, inside the aluminum solution, small, square-shaped precipitations enriched with Sc and Zr were observed. Electron diffraction pattern allowed identification of the precipitates as cubic Al 3 (Sc,Zr) phase. The average hardness of feedstock was 105 HV5. DSC analysis during heating of the alloy enabled the estimation of a solidus line, at temperature of 548 deg. C and a liquidus line at temperature: 656 deg. C. For cooling, the temperatures for solidus and liquidus were 545 deg. C and 636 deg. C respectively. Additionally, the relation of liquid phase as a function of temperature was determined. Measurements of rheological properties in the semi-solid range, using the Searl system indicated that an increase of a particle size leads to an observable decrease of

  18. Assessment of the structural relations between the bcc and omega phases of Ti, Zr, Hf and other transition metals

    International Nuclear Information System (INIS)

    Aurelio, G.; Guillermet, A.F.

    2000-01-01

    The name omega (Ω) phase refers to a high-pressure structural modification of the transition metals (TMs) Ti, Zr, and Hf. In alloys of Ti, Zr and Hf with other TMs, the Ω phase can be formed and retained metastably at room temperature by quenching the bcc structure, which is usually the stable high-temperature phase in these alloy systems. As a part of a systematic investigation of the structural and bonding properties of the bcc and Ω phases, and of the bcc → Ω phase transformation in TMs and alloys, we present in this paper a detailed analysis of the structural relations between these phases in Ti, Zr, Hf and in other TMs. The approach is as follows. First, we establish the most general geometrical relations connecting the lattice parameters and interatomic distances (IDs) of the bcc and Ω structures. Next, we focus on the ratio between the relevant IDs of these phases, which are assessed on the basis of an extensive database with experimental and theoretical information. Both stable and metastable structures are considered, and various remarkable regularities in ID ratios are discussed. Finally, in the light of the systematics of ID ratios established in the present work, a discussion is made of the probable lattice parameters for the Ω phase of Hf, which are not yet accurately known from direct measurements. (orig.)

  19. Microstructure and Mechanical Properties of an Al-Li-Mg-Sc-Zr Alloy Subjected to ECAP

    Directory of Open Access Journals (Sweden)

    Anna Mogucheva

    2016-10-01

    Full Text Available The effect of post-deformation solution treatment followed by water quenching and artificial aging on microstructure and mechanical properties of an Al-Li-Mg-Sc-Zr alloy subjected to equal-channel angular pressing (ECAP was examined. It was shown that the deformed microstructure produced by ECAP remains essentially unchanged under solution treatment. However, extensive grain refinement owing to ECAP processing significantly affects the precipitation sequence during aging. In the aluminum-lithium alloy with ultrafine-grained (UFG microstructure, the coarse particles of the S1-phase (Al2LiMg precipitate on high-angle boundaries; no formation of nanoscale coherent dispersoids of the δ′-phase (Al3Li occurs within grain interiors. Increasing the number of high-angle boundaries leads to an increasing portion of the S1-phase. As a result, no significant increase in strength occurs despite extensive grain refinement by ECAP.

  20. Effects of Zr4+ codoping on the Lu0.8Sc0.2BO3:Ce scintillation materials

    International Nuclear Information System (INIS)

    Wu, Yuntao; Ren, Guohao; Ding, Dongzhou; Shang, Shanshan; Sun, Dandan; Zhang, Guoqing; Wang, Jiayu; Pan, Shangke; Yang, Fan

    2013-01-01

    Both Zr-codoped Lu 0.8 Sc 0.2 BO 3 :Ce polycrystalline powders and single crystals were obtained by solid-state reaction and Czochralski method, respectively. The effects of Zr codoping on the optical absorption, Ce 3+ /Ce 4+ ratio, scintillation efficiency, decay time and point defect in Lu 0.8 Sc 0.2 BO 3 :Ce materials were examined systematically. Our results show that there is no positive contribution of Zr 4+ ion codoping to the scintillation efficiency. And the reasons for the deterioration of scintillation efficiency by codoping Zr 4+ were revealed. - Highlights: ► No positive contribution of the Zr 4+ ions on the scintillation efficiency was found. ► New optical absorption band was in the region from 200 to 225 nm. ► Continuously accelerated decay time indicated that Zr 4+ codoping induced new point defects. ► The induced hole trap located at 1.91 eV below the conduction band.

  1. Phase separation in Al-Zr-Sc alloys: from atomic jumps to ordered precipitates growth; Separation de phase dans les alliages Al-Zr-Sc: du saut des atomes a la croissance de precipites ordonnes

    Energy Technology Data Exchange (ETDEWEB)

    Clouet, E

    2004-07-01

    Zirconium and scandium addition to aluminium alloys leads to the formation of ordered precipitates. This study aims to a better understanding of precipitation kinetics thanks to an approach combining atomic and mesoscopic models. An experimental work has been undertaken too so as to characterize by transmission electron microscopy Al{sub 3}Zr kinetics of precipitation. We mainly focus on the nucleation stage and, in this purpose, an atomic model lying on a rigid lattice has been built for Al-Zr-Sc system allowing us to study precipitation with kinetic Monte Carlo simulations. While keeping the vacancy exchange mechanism for diffusion, we introduce multi-site interactions going thus beyond a simple pair interaction model, and test the influence of these interactions on kinetics of precipitation. The comparison between Monte Carlo simulations and classical nucleation theory shows that mesoscopic models can lead to a good description of the nucleation stage of Al{sub 3}Zr and Al{sub 3}Sc as long as the order tendency of the system has been taken into account to calculate input parameters of these models. For the ternary Al-Zr-Sc system, atomic simulations allow a better understanding of the precipitation kinetic path. It is then possible to extend the field of classical nucleation theory so as to model nucleation in a ternary alloy where the stoichiometry of the precipitates is unknown. (author)

  2. Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

    Science.gov (United States)

    Tanto, A.; Chihi, T.; Ghebouli, M. A.; Reffas, M.; Fatmi, M.; Ghebouli, B.

    2018-06-01

    First principles calculations are applied in the study of FeMP (M = Ti, Zr, Hf) compounds. We investigate the structural, elastic, mechanical and electronic properties by combining first-principles calculations with the CASTEP approach. For ideal polycrystalline FeMP (M = Ti, Zr, Hf) the shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy indexes, Pugh's criterion, elastic wave velocities and Debye temperature are also calculated from the single crystal elastic constants. The shear anisotropic factors and anisotropy are obtained from the single crystal elastic constants. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal.

  3. Effects of substrate temperature on the structure and mechanical properties of (TiVCrZrHf)N coatings

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Shih-Chang [Department of Materials Science and Engineering, National Chung Hsing University, Taichung 402, Taiwan (China); Chang, Zue-Chin [Department of Mechanical Engineering, National Chin-Yi University of Technology, Taichung 411, Taiwan (China); Tsai, Du-Cheng [Department of Materials Science and Engineering, National Chung Hsing University, Taichung 402, Taiwan (China); Lin, Yi-Chen; Sung, Huan-Shin [Department of Mechanical Engineering, National Chin-Yi University of Technology, Taichung 411, Taiwan (China); Deng, Min-Jen [Department of Materials Science and Engineering, National Chung Hsing University, Taichung 402, Taiwan (China); Department of Optometry, Jen-Teh Junior College of Medicine, Nursing and Management, Miaoli County 356, Taiwan (China); Shieu, Fuh-Sheng, E-mail: fsshieu@dragon.nchu.edu.tw [Department of Materials Science and Engineering, National Chung Hsing University, Taichung 402, Taiwan (China)

    2011-06-15

    The present paper reports the influence of growth conditions on the characteristics of (TiVCrZrHf)N films prepared by rf reactive magnetron sputtering at various substrate temperatures. The nitrogen content is observed to decrease with increasing substrate temperature. The X-ray diffraction results indicate that all (TiVCrZrHf)N films are simple face centered cubic (FCC) structures. Initially, there is an obvious decrease followed by an increase in grain size with the increase in substrate temperature. The lower part of the microstructure has an amorphous structure. A nano grain structure (size {approx}1 nm) with a random orientation is also observed above the amorphous structure. The fully dense columnar structure with an fcc crystal phase then starts to develop. Extreme hardness of around 48 GPa is obtained in the present alloy design.

  4. Effects of substrate temperature on the structure and mechanical properties of (TiVCrZrHf)N coatings

    International Nuclear Information System (INIS)

    Liang, Shih-Chang; Chang, Zue-Chin; Tsai, Du-Cheng; Lin, Yi-Chen; Sung, Huan-Shin; Deng, Min-Jen; Shieu, Fuh-Sheng

    2011-01-01

    The present paper reports the influence of growth conditions on the characteristics of (TiVCrZrHf)N films prepared by rf reactive magnetron sputtering at various substrate temperatures. The nitrogen content is observed to decrease with increasing substrate temperature. The X-ray diffraction results indicate that all (TiVCrZrHf)N films are simple face centered cubic (FCC) structures. Initially, there is an obvious decrease followed by an increase in grain size with the increase in substrate temperature. The lower part of the microstructure has an amorphous structure. A nano grain structure (size ∼1 nm) with a random orientation is also observed above the amorphous structure. The fully dense columnar structure with an fcc crystal phase then starts to develop. Extreme hardness of around 48 GPa is obtained in the present alloy design.

  5. Mechanical Properties of TiTaHfNbZr High-Entropy Alloy Coatings Deposited on NiTi Shape Memory Alloy Substrates

    Science.gov (United States)

    Motallebzadeh, A.; Yagci, M. B.; Bedir, E.; Aksoy, C. B.; Canadinc, D.

    2018-04-01

    TiTaHfNbZr high-entropy alloy (HEA) thin films with thicknesses of about 750 and 1500 nm were deposited on NiTi substrates by RF magnetron sputtering using TiTaHfNbZr equimolar targets. The thorough experimental analysis on microstructure and mechanical properties of deposited films revealed that the TiTaHfNbZr films exhibited amorphous and cauliflower-like structure, where grain size and surface roughness increased concomitant with film thickness. More importantly, the current findings demonstrate that the TiTaHfNbZr HEA films with mechanical properties of the same order as those of the NiTi substrate constitute promising biomedical coatings effective in preventing Ni release.

  6. Microstructure research for ferroelectric origin in the strained Hf0.5Zr0.5O2 thin film via geometric phase analysis

    Science.gov (United States)

    Bi, Han; Sun, Qingqing; Zhao, Xuebing; You, Wenbin; Zhang, David Wei; Che, Renchao

    2018-04-01

    Recently, non-volatile semiconductor memory devices using a ferroelectric Hf0.5Zr0.5O2 film have been attracting extensive attention. However, at the nano-scale, the phase structure remains unclear in a thin Hf0.5Zr0.5O2 film, which stands in the way of the sustained development of ferroelectric memory nano-devices. Here, a series of electron microscopy evidences have illustrated that the interfacial strain played a key role in inducing the orthorhombic phase and the distorted tetragonal phase, which was the origin of the ferroelectricity in the Hf0.5Zr0.5O2 film. Our results provide insight into understanding the association between ferroelectric performances and microstructures of Hf0.5Zr0.5O2-based systems.

  7. Mechanical Properties of TiTaHfNbZr High-Entropy Alloy Coatings Deposited on NiTi Shape Memory Alloy Substrates

    Science.gov (United States)

    Motallebzadeh, A.; Yagci, M. B.; Bedir, E.; Aksoy, C. B.; Canadinc, D.

    2018-06-01

    TiTaHfNbZr high-entropy alloy (HEA) thin films with thicknesses of about 750 and 1500 nm were deposited on NiTi substrates by RF magnetron sputtering using TiTaHfNbZr equimolar targets. The thorough experimental analysis on microstructure and mechanical properties of deposited films revealed that the TiTaHfNbZr films exhibited amorphous and cauliflower-like structure, where grain size and surface roughness increased concomitant with film thickness. More importantly, the current findings demonstrate that the TiTaHfNbZr HEA films with mechanical properties of the same order as those of the NiTi substrate constitute promising biomedical coatings effective in preventing Ni release.

  8. Lattice Thermal Conductivity of Ultra High Temperature Ceramics ZrB2 and HfB2 from Atomistic Simulations

    Science.gov (United States)

    Lawson, John W.; Murray, Daw S.; Bauschlicher, Charles W., Jr.

    2011-01-01

    Atomistic Green-Kubo simulations are performed to evaluate the lattice thermal conductivity for single crystals of the ultra high temperature ceramics ZrB2 and HfB2 for a range of temperatures. Recently developed interatomic potentials are used for these simulations. Heat current correlation functions show rapid oscillations which can be identified with mixed metal-Boron optical phonon modes. Agreement with available experimental data is good.

  9. Indirect phase transition of TiC, ZrC, and HfC crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Abavare, Eric K.K.; Dodoo, Samuel N.A. [Department of Physics, Kwame Nkrumah University of Science and Technology, Kumasi (Ghana); Uchida, Kazuyuki; Oshiyama, Atsushi [Department of Applied Physics, The University of Tokyo, Hongo, Tokyo (Japan); Nkurumah-Buandoh, George K.; Yaya, Abu [Department of Physics, University of Ghana, Legon (Ghana)

    2016-06-15

    We have performed first-principles calculations to analyze the electronic structures, static, and dynamical structural stabilities of the pressure-induced phase transformation of refractory compounds (transition-metal carbides) from NaCl-type (B1) to CsCl-type (B2) via zinc-blende phase using the plane-wave pseudopotential approach in the framework of the generalized gradient approximation (GGA) for the exchange and correlation functional. The ground-state properties, equilibrium lattice constant, bulk moduli, and band structures are determined for the stoichiometry of the compounds and compared with known experimental and theoretical values. We find that the phase-transition pressure for the indirect phase transition from B1→B2 via zinc-blende structure is about 17-fold for TiC, 12-fold for both ZrC and HfC, respectively, when compared with the direct phase transition. Calculated phonon instability exists for the CsCl-B2 phase, which can prevent the structures from forming and contrary to the zinc-blende and the NaCl-B1 phases. The band dispersion and electronic density of states for B1 and B2 crystal phases were explored and found to indicate metallic character in contrast with the zinc-blende phase, which has a pseudogap opening in the bandgap region suggesting a semiconducting property and also a frequency gap in the phonon spectrum. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. (V,Nb)-doped half Heusler alloys based on {Ti,Zr,Hf}NiSn with high ZT

    International Nuclear Information System (INIS)

    Rogl, G.; Sauerschnig, P.; Rykavets, Z.; Romaka, V.V.; Heinrich, P.; Hinterleitner, B.; Grytsiv, A.; Bauer, E.; Rogl, P.

    2017-01-01

    Half Heusler alloys are among the most promising materials for thermoelectric generators as they can be used in a wide temperature range and their starting materials are abundant and cheap, the latter as long as no hafnium is involved. For Sb-doped Ti 0.5 Zr 0.25 Hf 0.25 NiSn Sakurada and Shutoh in 2008 have published ZT max  = 1.5 at 690 K, a value that hitherto was never reproduced independently. In this paper we successfully prepared Ti 0.5 Zr 0.25 Hf 0.25 NiSn with ZT max  = 1.5, however, at higher temperature (825 K). As the main goal is to produce hafnium – free half Heusler alloys, we investigated the influence of niobium or vanadium dopants on Ti x Zr 1−x NiSn 0.98 Sb 0.02 , reaching ZTs > 1.2 and thermal-electric conversion efficiencies up to 13.1%. For Hf-free n-type TiNiSn-based half Heusler alloys these values are unsurpassed. In order to further improve our thermoelectric materials our study is completed by electrical resistivity and thermal conductivity data in the low temperature range but also by mechanical properties (elastic moduli, hardness) at room temperature. The electrical properties have been discussed in comparison with DFT calculations.

  11. Mechanical, electronic and thermal properties of Cu{sub 5}Zr and Cu{sub 5}Hf by first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Guohui [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Zhang, Xinyu, E-mail: xyzhang@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Qin, Jiaqian, E-mail: jiaqianqin@gmail.com [Metallurgy and Materials Science Research Institute, Chulalongkorn University, Bangkok 10330 (Thailand); Ning, Jinliang; Zhang, Suhong; Ma, Mingzhen; Liu, Riping [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2015-08-15

    Highlights: • The mechanical and fundamental thermal data of Cu{sub 5}Zr and Cu{sub 5}Hf are determined. • The technologically important elastic anisotropy is obtained and discussed according to its industrial applications. • The brittle/ductile and bonding nature of Cu{sub 5}Zr and Cu{sub 5}Hf are analyzed in details. - Abstract: The structural, elastic, electronic and thermodynamic properties of Cu{sub 5}Zr and Cu{sub 5}Hf compounds are investigated by first-principles calculations combined with the quasi-harmonic Debye model. The calculated lattice parameters of cubic AuBe{sub 5}-type Cu{sub 5}Zr and Cu{sub 5}Hf agree well with available experimental and other theoretical results and the formation enthalpy calculations show that AuBe{sub 5}-type Cu{sub 5}Hf is more energetically stable than the competing hexagonal CaCu{sub 5}-type phase. The mechanical properties such as mechanical stabilities, anisotropy character, ductility (estimated from the value of B/G, Poisson’s ratio υ and Cauchy pressures C{sub 12}–C{sub 44}) and thermodynamic properties such as volume change under temperature and pressure (V/V{sub 0}), heat capacity (C{sub v}), Debye temperature (Θ), thermal expansion coefficient (α) of AuBe{sub 5}-type Cu{sub 5}Zr and Cu{sub 5}Hf are calculated together. Cu{sub 5}Hf has better performances than Cu{sub 5}Zr with higher hardness and better resistance to fracture which are rationalized from the calculated electronic structure (including density of states, charge density distributions, Mulliken’s population analysis) and we find that all ionic, covalent and metallic components exist in bonding of Cu{sub 5}Zr and Cu{sub 5}Hf but the covalent bonding in Cu{sub 5}Hf is stronger.

  12. Phase and Microstructural Correlation of Spark Plasma Sintered HfB2-ZrB2 Based Ultra-High Temperature Ceramic Composites

    Directory of Open Access Journals (Sweden)

    Ambreen Nisar

    2017-07-01

    Full Text Available The refractory diborides (HfB2 and ZrB2 are considered as promising ultra-high temperature ceramic (UHTCs where low damage tolerance limits their application for the thermal protection system in re-entry vehicles. In this regard, SiC and CNT have been synergistically added as the sintering aids and toughening agents in the spark plasma sintered (SPS HfB2-ZrB2 system. Herein, a novel equimolar composition of HfB2 and ZrB2 has shown to form a solid-solution which then allows compositional tailoring of mechanical properties (such as hardness, elastic modulus, and fracture toughness. The hardness of the processed composite is higher than the individual phase hardness up to 1.5 times, insinuating the synergy of SiC and CNT reinforcement in HfB2-ZrB2 composites. The enhanced fracture toughness of CNT reinforced composite (up to a 196% increment surpassing that of the parent materials (ZrB2/HfB2-SiC is attributed to the synergy of solid solution formation and enhanced densification (~99.5%. In addition, the reduction in the analytically quantified interfacial residual tensile stress with SiC and CNT reinforcements contribute to the enhancement in the fracture toughness of HfB2-ZrB2-SiC-CNT composites, mandatory for aerospace applications.

  13. FRACTIONAL RECRYSTALLIZATION KINETICS IN DIRECTLY COLD ROLLED Al-Mg, Al-Mg-Sc AND Al-Mg-Sc-Zr ALLOY

    Directory of Open Access Journals (Sweden)

    M. S. Kaiser

    2014-12-01

    Full Text Available The evaluation of texture as a function of recrystallization has been characterized for directly cold rolled Al-6Mg, Al-6Mg-0.4Sc and Al-6Mg-0.4Sc-0.2Zr alloys. Samples were annealed isothermally at 400 °C for 1 to 240 minutes to allow recrystallization. Recrystallization kinetics of the alloys is analyzed from the micro-hardness variation. Isothermally annealed samples of aluminum alloys were also studied using JMAK type analysis to see if there exists any correlation between the methods. Recrystallization fraction behavior between two methods the scandium added alloys show the higher variation due to precipitation hardening and higher recrystallization behavior. The scandium and zirconium as a combined shows the more variation due to formation of Al3(Sc, Zr precipitate. From the microstructure it is also observed that the base Al-Mg alloy attained almost fully re-crystallized state after annealing at 400 °C for 60 minutes

  14. Tunneling current in HfO2 and Hf0.5Zr0.5O2-based ferroelectric tunnel junction

    Science.gov (United States)

    Dong, Zhipeng; Cao, Xi; Wu, Tong; Guo, Jing

    2018-03-01

    Ferroelectric tunnel junctions (FTJs) have been intensively explored for future low power data storage and information processing applications. Among various ferroelectric (FE) materials studied, HfO2 and H0.5Zr0.5O2 (HZO) have the advantage of CMOS process compatibility. The validity of the simple effective mass approximation, for describing the tunneling process in these materials, is examined by computing the complex band structure from ab initio simulations. The results show that the simple effective mass approximation is insufficient to describe the tunneling current in HfO2 and HZO materials, and quantitative accurate descriptions of the complex band structures are indispensable for calculation of the tunneling current. A compact k . p Hamiltonian is parameterized to and validated by ab initio complex band structures, which provides a method for efficiently and accurately computing the tunneling current in HfO2 and HZO. The device characteristics of a metal/FE/metal structure and a metal/FE/semiconductor (M-F-S) structure are investigated by using the non-equilibrium Green's function formalism with the parameterized effective Hamiltonian. The result shows that the M-F-S structure offers a larger resistance window due to an extra barrier in the semiconductor region at off-state. A FTJ utilizing M-F-S structure is beneficial for memory design.

  15. Brain regional uptake of radioactive Sc, Mn, Zn, Se, Rb and Zr tracers into normal mice during aging

    International Nuclear Information System (INIS)

    Amano, R.; Enomoto, S.

    2001-01-01

    Radioactive multitracer technique was applied to study the brain regional uptake of trace elements by the normal mice during aging. The brain regional radioactivities of 46 Sc, 54 Mn, 65 Zn, 75 Se, 83 Rb and 88 Zr were measured 48 hours after intraperitoneal injection of a solution in normal mice aged 6 to 52 weeks to evaluate the brain regional (corpus striatum, cerebellum, cerebral cortex, hippocampus, and pons and medulla) uptakes. The radioactive distributions of 46 Sc, 54 Mn and 88 Zr tracers were variable and region-specific in the brain, while those of 65 Zn, 75 Se and 83 Rb tracers were comparable among all regions of interest. The brain regional uptakes of all tracers slightly increased with age from 10 to 28 weeks, and then remained constant during aging after 28 weeks. These uptake variations may be involved in the functional degenerative process of the blood-brain barrier during aging. (author)

  16. Pb, U, Ti, Hf and Zr distributions in zircons determined by proton microprobe and fission track techniques

    International Nuclear Information System (INIS)

    Clark, G.J.; Gulson, B.L.; Cookson, J.A.

    1979-01-01

    A proton microprobe has been used to determine Pb, Tl, Hf and Zr distributions across four single zircon crystals separated from a 'rapakivi' granite. The Pb and Zr data are quantitative: Pb and Tl concentrations were below the measurable limits for determinations in situ by most other techniques. The distribution of U in the same crystals was determined by the fission track technique. Limits on precision of U allow only a qualitative correlation of U and Pb, whereas the Tl and Pb correlation is more exactly determined. Zircons with distinct cores and overgrowths exhibited uniform Zr and Hf concentrations across the crystals, whereas the high U rims and 'inclusions' (domains) also had high Tl and Pb contents. Since almost all the Pb in these zircons is derived by radioactive decay of U, the Tl substitution has paralleled that of U. The results indicate that the high U domains are 'hot spots' rather than a separate mineral phase. The strong positive correlation of U and Pb indicates that there is little U daughter product migration relative to U, within the crystal. However, for the zircon population investigated here, the data are equivocal on the question of whether U addition to zircon crystals is associated with new zircon growth or not. In either case, the heterogeneous U and Pb distributions complicate any interpretations of U-Pb isotopic analysis for such zircon populations. (author)

  17. Thermal shock behavior of W-ZrC/Sc2O3 composites under two different transient events by electron and laser irradiation

    Science.gov (United States)

    Chen, Hong-Yu; Luo, Lai-Ma; Zan, Xiang; Xu, Qiu; Tokunaga, Kazutoshi; Liu, Jia-Qin; Zhu, Xiao-Yong; Cheng, Ji-Gui; Wu, Yu-Cheng

    2018-02-01

    The transient thermal shock behaviors of W-ZrC/Sc2O3 composites with different ZrC contents were evaluated using transient thermal shock test by electron and laser beams. The effects of different ZrC doping contents on the surface morphology and thermal shock resistance of W-ZrC/Sc2O3 composites were then investigated. Similarity and difference between effects of electron and laser beam transient heat loading were also discussed in this study. Repeated heat loading resulted in thermal fatigue of the irradiated W-ZrC/Sc2O3 samples by thermal stress, leading to the rough surface morphologies with cracks. After different transient thermal tests, significant surface roughening, cracks, surface melting, and droplet ejection occurred. W-2vol.%Sc2O3 sample has superior thermal properties and greater resistance to surface modifications under transient thermal shock, and with the increasing ZrC content in W alloys, thermal shock resistance of W-Zr/Sc2O3 sample tends to be unsatisfied.

  18. Electronic structure and magnetism of new ilmenite compounds for spintronic devices: FeBO{sub 3} (B = Ti, Hf, Zr, Si, Ge, Sn)

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, R.A.P. [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Camilo, A. [Department of Physics, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Lazaro, S.R. de, E-mail: srlazaro@uepg.br [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil)

    2015-11-15

    First-principles calculations were performed in the framework of Density Functional Theory (DFT) within hybrid functional (B3LYP) to study the electronic structure and magnetic properties of new ilmenite FeBO{sub 3} (B=Ti, Hf, Zr, Si, Ge, Sn) materials. In particular, the magnetic exchange interaction between Fe{sup 2+} layers is dependent on the interlayer distance and it can be controlled by ionic radius of B-site cation. Thus, Fe(Ti, Si, Ge)O{sub 3} are antiferromagnetic materials, while Fe(Zr, Hf, Sn)O{sub 3} are ferromagnetic. We also argue that antiferromagnetic materials and FeZrO{sub 3} are convectional semiconductors, whereas FeHfO{sub 3} and FeSnO{sub 3} exhibit intrinsic half-metallic behavior, making them promising candidates for spintronic devices. - Highlights: • We study electronic structure and magnetism of new FeBO{sub 3} (B=Ti, Hf, Zr, Si, Ge, Sn) ilmenite materials. • We found that magnetic ordering of Fe-based ilmenite materials can be controlled by size of B-site cation. • Fe(Ti, Zr, Si, Ge)O{sub 3} are convectional semiconductors. • FeHfO{sub 3} and FeSnO{sub 3} exhibit intrinsic half-metallic behavior with potential application for spintronic devices.

  19. TEM study of structural and microstructural characteristics of a precipitate phase in Ni-rich Ni–Ti–Hf and Ni–Ti–Zr shape memory alloys

    International Nuclear Information System (INIS)

    Santamarta, R.; Arróyave, R.; Pons, J.; Evirgen, A.; Karaman, I.; Karaca, H.E.; Noebe, R.D.

    2013-01-01

    The precipitates formed after suitable thermal treatments in seven Ni-rich Ni–Ti–Hf and Ni–Ti–Zr high-temperature shape memory alloys have been investigated by conventional and high-resolution transmission electron microscopy. In both ternary systems, the precipitate coarsening kinetics become faster as the Ni and ternary element contents (Hf or Zr) of the bulk alloy are increased, in agreement with the precipitate composition measured by energy-dispersive X-ray microanalysis. The precipitate structure has been found to be the same in both Hf- and Zr-containing ternary alloys, and determined to be a superstructure of the B2 austenite phase, which arises from a recombination of the Hf/Zr and Ti atoms in their sublattice. Two different structural models for the precipitate phase were optimized using density functional theory methods. These calculations indicate that the energetics of the structure are not very sensitive to the atomic configuration of the Ti–Hf/Zr planes, thus significant configurational disorder due to entropic effects can be envisaged at high temperatures. The precipitates are fully coherent with the austenite B2 matrix; however, upon martensitic transformation, they lose some coherency with the B19′ matrix as a result of the transformation shear process in the surrounding matrix. The strain accommodation around the particles is much easier in the Ni–Ti–Zr-containing alloys than in the Ni–Ti–Hf system, which correlates well with the lower transformation strain and stiffness predicted for the Ni–Ti–Zr alloys. The B19′ martensite twinning modes observed in the studied Ni-rich ternary alloys are not changed by the new precipitated phase, being equivalent to those previously reported in Ni-poor ternary alloys

  20. The influence of thermal treatment on the phase development in HfO2-Al2O3 and ZrO2-Al2O3 systems

    International Nuclear Information System (INIS)

    Stefanic, G.; Music, S.; Trojko, R.

    2005-01-01

    Amorphous precursors of HfO 2 -AlO 1.5 and ZrO 2 -AlO 1.5 systems covering the whole concentration range were co-precipitated from aqueous solutions of the corresponding salts. The thermal behaviour of the amorphous precursors was examined by differential thermal analysis, X-ray powder diffraction (XRD), laser Raman spectroscopy and scanning electron microscopy. The crystallization temperature of both systems increased with increase in the AlO 1.5 content, from 530 to 940 deg. C in the HfO 2 -AlO 1.5 system, and from 405 to 915 deg. C in the ZrO 2 -AlO 1.5 system. The results of phase analysis indicate an extended capability for the incorporation of Al 3+ ions in the metastable HfO 2 - and ZrO 2 -type solid solutions obtained after crystallization of amorphous co-gels. Precise determination of lattice parameters, performed using whole-powder-pattern decomposition method, showed that the axial ratio c f /a f in the ZrO 2 - and HfO 2 -type solid solutions with 10 mol% or more of Al 3+ approach 1. The tetragonal symmetry of these samples, as determined by laser Raman spectroscopy, was attributed to the displacement of the oxygen sublattice from the ideal fluorite positions. It was found that the lattice parameters of the ZrO 2 -type solid solutions decreased with increasing Al 3+ content up to ∼10 mol%, whereas above 10 mol%, further increase of the Al 3+ content has very small influence on the unit-cell volume of both HfO 2 - and ZrO 2 -type solid solutions. The reason for such behaviour was discussed. The solubility of Hf 4+ and Zr 4+ ions in the aluminium oxides lattice appeared to be negligible

  1. Growth and characterization of acentric BaHf(BO{sub 3}){sub 2} and BaZr(BO{sub 3}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, Mirosław, E-mail: m.maczka@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Szymborska-Małek, Katarzyna; Gągor, Anna [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warszawa (Poland)

    2015-05-15

    Growth, single crystal X-ray diffraction, polarized Raman and infrared (IR) studies of BaHf(BO{sub 3}){sub 2} are presented. Raman and IR spectra of polycrystalline BaZr(BO{sub 3}){sub 2} are also reported to facilitate assignment of modes. BaHf(BO{sub 3}){sub 2} borate crystallizes in trigonal system, space group R3c, with lattice parameters: a=5.1540(4) Å, c=33.901(3) Å. It accommodates dolomite-like structure doubled in the c direction, which is built of alternating layers of HfO{sub 6} octahedra and BaO{sub 6} distorted trigonal prisms that are connected through borate groups. The obtained structural as well as spectroscopic data show that BaHf(BO{sub 3}){sub 2} is isostructural with BaZr(BO{sub 3}){sub 2} and the deviations from centrosymmetry is small. - Graphical abstract: Arrangement of BO{sub 3} groups in BaHf(BO{sub 3}){sub 2} along the c direction in one unit cell. Dark and light blue denote different borate groups. - Highlights: • BaHf(BO{sub 3}){sub 2} single crystals were grown. • X-ray diffraction showed that this borate crystallizes in the acentric R3c structure. • Raman and IR spectra were measured for BaHf(BO{sub 3}){sub 2} and BaZr(BO{sub 3}){sub 2}, respectively. • Assignment of modes is proposed.

  2. Thermoelectric and Structural Properties of Zr-/Hf-Based Half-Heusler Compounds Produced at a Large Scale

    Science.gov (United States)

    Zillmann, D.; Waag, A.; Peiner, E.; Feyand, M.-H.; Wolyniec, A.

    2018-02-01

    The half-Heusler (HH) systems are promising candidates for thermoelectric (TE) applications since they have shown high figures of merit ( zT) of ˜ 1, which are directly related to the energy conversion efficiency. To use HH compounds for TE devices, the materials must be phase-stable at operating temperatures up to 600°C. Currently, only a few HH compositions are available in large quantities. Hence, we focus on the TE and structural properties of three commercially available Zr-/Hf-based HH compounds in this publication. In particular, we evaluate the thermal conductivities and the figures of merit and critically discuss uncertainties and propagation error in the measurements. We find thermal conductivities of less than 6.0 W K^{-1}m^{-1} for all investigated materials and notably high figures of merit of 0.93 and 0.60 for n- and p-type compounds, respectively, at 600°C. Additionally, our investigations reveal that the grain structures of all materials also contain secondary phases like HfO2, Sn-Ni and Ti-Zr-Sn rich phases while an additional SnO_2 phase was found following several hours of harsh heat treatment at 800°C.

  3. First principles study the stability and mechanical properties of MC (M = Ti, V, Zr, Nb, Hf and Ta) compounds

    International Nuclear Information System (INIS)

    Liu, YangZhen; Jiang, YeHua; Zhou, Rong; Feng, Jing

    2014-01-01

    Highlights: • The stability and elastic constants of carbides are studied by first principles. • The rules of modulus of MC compounds are discussed by their group. • The hardness of carbides is estimated in this paper at the first time. -- Abstract: The first principles calculations based on density functional theory (DFT) were adopted to investigate the stability, elastic constants, chemical bonding, Debye temperature and hardness of MC (M = Ti, V, Zr, Nb, Hf and Ta) compounds. The cohesive energy and formation enthalpy of these carbides indicate that they are thermodynamically stable structures. The population analysis was used to discuss the chemical bonding of these carbides. The elastic constants and moduli of these compounds were calculated. The results show that the bulk moduli of the carbides of transition metals from the fourth group (TiC, ZrC, HfC) are lower than the fifth group (VC, NbC, TaC). However, the Young’s moduli of the carbides from fourth group are higher than the fifth group. The hardness of compounds was estimated using a semi empirical hardness theory

  4. Microstructure, mechanical properties and stress corrosion cracking of Al–Zn–Mg–Zr alloy sheet with trace amount of Sc

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Xing [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Pan, Qinglin, E-mail: pql1964@126.com [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Li, Bo [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Liu, Zhiming; Huang, Zhiqi [Guangdong Fenglu Aluminum Co., Ltd, Foshan 528133 (China); Yin, Zhimin [School of Materials Science and Engineering, Central South University, Changsha 410083 (China)

    2015-11-25

    Microstructural and property evolution of the Al–Zn–Mg–0.10%Sc–0.10%Zr alloy sheet during its preparation were investigated in detail by means of optical microscopy (OM), scanning electron microscope (SEM), energy dispersive X-ray (EDX), transmission electron microscopy (TEM), Vickers micro-hardness test and room temperature tensile test. Stress corrosion cracking (SCC) behavior of the Al–Zn–Mg–0.10%Sc–0.10%Zr alloy under different heat treatments was studied using slow strain rate test. The results showed that serious dendritic segregation existed in as-cast condition. The suitable homogenization treatment for Al–Zn–Mg–0.10%Sc–0.10%Zr alloy was 470 °C/24 h. After homogenization treatment, dissoluble Zn and Mg enriched non-equilibrium phases dissolved into α-Al matrix completely. The suitable solid solution-aging treatment for Al–Zn–Mg–0.10%Sc–0.10%Zr alloy was solution treated at 470 °C for 60 min, followed by water quenching and then aged at 120 °C for 24 h. Under this aging temper, the grain structures were composed of sub-grains, η′ phases and nanometer-sized, spherical Al{sub 3}(Sc, Zr) particles. Grain boundary precipitates (GBPs) area fraction was found to be an important parameter to evaluate the SCC susceptibility. The improved corrosion resistance from increasing aging temperature or prolonging aging time was due to the discontinuous η precipitates along the grain boundary and the high area fraction of GBPs. The main strengthening mechanisms of Al–Zn–Mg–0.10%Sc–0.10%Zr alloy are precipitation strengthening derived from η′ precipitates, dispersion strengthening, sub-grain strengthening and grain refinement caused by coherent Al{sub 3}(Sc, Zr) particles. - Highlights: • The suitable homogenization treatment of the alloy has been identified. • Evolution of microstructure and mechanical properties is investigated. • Strengthening mechanisms of the alloy has been established. • The basic mechanism has

  5. First-principles study of new quaternary Heusler compounds without 3d transition metal elements: ZrRhHfZ (Z = Al, Ga, In)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Liying [Department of Physics, Tianjin University, Tianjin 300350 (China); Yu, Zheyin [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2017-06-01

    Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, and the magnetic and half-metallic properties of the newly designed quaternary Heusler compounds ZrRhHfZ (Z = Al, Ga, In) without 3d transition metal elements. The calculated results show that ZrRhHfZ (Z = Al, Ga, In) compounds are half-metallic, with 100% spin polarization around the Fermi level. The structural stability of these compounds has been tested from the aspects of their cohesion energy and formation. The spin-flip/half-metallic gaps of ZrRhHfZ (Z = Al, Ga, In) compounds are quite large, with values of 0.2548 eV, 0.3483 eV, and 0.2866 eV, respectively. These compounds show Slater-Pauling behavior, and the total spin magnetic moment per unit cell (M{sub t}) scales with the total number of valence electrons (Z{sub t}) following the rule: M{sub t} = Z{sub t} - 18. The magnetization of ZrRhHfZ (Z = Al, Ga, In) compounds mainly comes from the 4d electrons of the Zr atoms and the 5d electrons of the Hf atoms. Furthermore, the effects of uniform strain and tetragonal deformation on the half metallicity has been investigated in detail, which is important for practical application. Finally, we reveal that the half-metallicity can be maintained when the Coulomb interactions are considered. - Highlights: • New quaternary compounds without 3d transition metal elements have been designed. • The electronic structures and magnetism of the ZrRhHfZ compounds have been studied. • The effect of strain on the half-metallic behavior has been tested. • The effect of the Coulomb interactions on the half-metallicity has been investigated.

  6. In-situ observation of recrystallization in an AlMgScZr alloy using confocal laser scanning microscopy

    International Nuclear Information System (INIS)

    Taendl, J.; Nambu, S.; Orthacker, A.; Kothleitner, G.; Inoue, J.; Koseki, T.; Poletti, C.

    2015-01-01

    In this work we present a novel in-situ approach to study the recrystallization behavior of age hardening alloys. We use confocal laser scanning microscopy (CLSM) at 400 °C to investigate the static recrystallization of an AlMg4Sc0.4Zr0.12 alloy in-situ. The results are combined with electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM) analyses. It was found that CLSM is a powerful tool to visualize both the local initiation and temporal sequence of recrystallization. After fast nucleation and initial growth, the grain growth rate decreases and the grain boundary migration stops after some minutes due to Zener pinning from Al 3 (Sc,Zr) precipitates produced during the heat treatment. EBSD and TEM analyses confirm both the boundary movements and the particle-boundary interactions. - Highlights: • First time that CLSM is used to study recrystallization in-situ. • The start and end of recrystallization can be directly observed. • The procedure is easy to apply and requires only simple data interpretation. • In-situ observations on the surface correlate to modifications inside the bulk. • In-situ observations correlate to EBSD and EFTEM analyses.

  7. Superplasticity behaviors of Al-Zn-Mg-Zr cold-rolled alloy sheet with minor Sc addition

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, H. [School of Materials Science and Engineering, Central South University (Light Alloy Research Institute, Central South University), Changsha 410083 (China); Nonferrous Metal Oriented Advanced Structural Materials and Manufacturing Cooperative Innovation Center, Changsha 410083 (China); Pan, Q.L., E-mail: pql2016@126.com [School of Materials Science and Engineering, Central South University (Light Alloy Research Institute, Central South University), Changsha 410083 (China); Nonferrous Metal Oriented Advanced Structural Materials and Manufacturing Cooperative Innovation Center, Changsha 410083 (China); Yu, X.H.; Huang, X.; Sun, X.; Wang, X.D.; Li, M.J.; Yin, Z.M. [School of Materials Science and Engineering, Central South University (Light Alloy Research Institute, Central South University), Changsha 410083 (China); Nonferrous Metal Oriented Advanced Structural Materials and Manufacturing Cooperative Innovation Center, Changsha 410083 (China)

    2016-10-31

    A refined microstructure of Al-Zn-Mg-Sc-Zr alloy sheet was produced by simple hot and cold rolling to an average grain size of 3 µm. Experiments were completed in electro-fluid servo-fatigue tester and results were investigated by means of optical microscope (OM), scanning electron microscopy (SEM) and transmission electron microscope (TEM). Superplastic deformation was conducted and superplastic ductility of ≥200% was achieved at a testing temperature range from 425 ºC to 500 ºC and relative high strain rate range of 1×10{sup −3} s{sup −1}~1×10{sup −1} s{sup −1}. The maximum elongation of 539% was obtained at 500 ºC and 1×10{sup −2} s{sup −1}. In addition, the scanning electron microscopy (SEM) and transmission electron microscope (TEM) analyses showed that the presence of Al{sub 3} (Sc, Zr) particles in pinning grain boundaries and dislocations had a great influence on the superplastic deformation. The analyses of superplastic test data calculated out the coherent strain rates sensitivity parameter of 0.43 and the average activation energy of 143.762 kJ/mol. The data interpreted that the dominant deformation mechanism was grain boundary sliding controlled by lattice self-diffusion.

  8. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12.

    Science.gov (United States)

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-04-21

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices.

  9. In-situ observation of recrystallization in an AlMgScZr alloy using confocal laser scanning microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Taendl, J., E-mail: johannes.taendl@tugraz.atl [Institute of Materials Science and Welding, Graz University of Technology, Graz (Austria); Nambu, S. [Department of Materials Engineering, The University of Tokyo, Tokyo 113-8656 (Japan); Orthacker, A.; Kothleitner, G. [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Graz (Austria); Graz Center for Electron Microscopy, Graz (Austria); Inoue, J.; Koseki, T. [Department of Materials Engineering, The University of Tokyo, Tokyo 113-8656 (Japan); Poletti, C. [Institute of Materials Science and Welding, Graz University of Technology, Graz (Austria)

    2015-10-15

    In this work we present a novel in-situ approach to study the recrystallization behavior of age hardening alloys. We use confocal laser scanning microscopy (CLSM) at 400 °C to investigate the static recrystallization of an AlMg4Sc0.4Zr0.12 alloy in-situ. The results are combined with electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM) analyses. It was found that CLSM is a powerful tool to visualize both the local initiation and temporal sequence of recrystallization. After fast nucleation and initial growth, the grain growth rate decreases and the grain boundary migration stops after some minutes due to Zener pinning from Al{sub 3}(Sc,Zr) precipitates produced during the heat treatment. EBSD and TEM analyses confirm both the boundary movements and the particle-boundary interactions. - Highlights: • First time that CLSM is used to study recrystallization in-situ. • The start and end of recrystallization can be directly observed. • The procedure is easy to apply and requires only simple data interpretation. • In-situ observations on the surface correlate to modifications inside the bulk. • In-situ observations correlate to EBSD and EFTEM analyses.

  10. Zircon and whole-rock Zr/Hf ratios as markers of the evolution of granitic magmas: Examples from the Teplice caldera (Czech Republic/Germany)

    Czech Academy of Sciences Publication Activity Database

    Breiter, Karel; Škoda, R.

    2017-01-01

    Roč. 111, č. 4 (2017), s. 435-457 ISSN 0930-0708 R&D Projects: GA ČR GA14-13600S Institutional support: RVO:67985831 Keywords : Zr/Hf value * zircon * Teplice caldera * rhyolite * rare-metal granite * Cínovec deposit Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Mineralogy Impact factor: 1.236, year: 2016

  11. Influence of alloyed Sc and Zr, and heat treatment on microstructures and stress corrosion cracking of Al–Zn–Mg–Cu alloys

    International Nuclear Information System (INIS)

    Shi, Yunjia; Pan, Qinglin; Li, Mengjia; Huang, Xing; Li, Bo

    2015-01-01

    Stress corrosion cracking (SCC) behavior of Al–Zn–Mg–Cu alloys with different Sc, Zr contents and heat treatments was studied using slow strain rate test. Grain boundary microstructures were identified by transmission electron microscopy (TEM) and statistical analysis. It was found that the SCC resistance of alloys is improved by increasing Sc, Zr contents and aging degree. Grain boundary precipitates (GBPs) area fraction was found to be an important parameter to evaluate the SCC susceptibility. The results reveal that for Al–Zn–Mg–Cu–0.25Sc–0.10Zr (wt%) alloy with different aging degrees, hydrogen induced cracking dominates the SCC when the area fraction of GBPs is relatively low. For peak-aged Al–Zn–Mg–Cu alloy and Al–Zn–Mg–Cu–0.10Sc–0.10Zr (wt%) alloy, anodic dissolution dominates the SCC when the area fraction of GBPs is sufficiently high

  12. Remote plasma-assisted nitridation (RPN): applications to Zr and Hf silicate alloys and Al2O3

    International Nuclear Information System (INIS)

    Hinkle, Chris; Lucovsky, Gerry

    2003-01-01

    Remote plasma-assisted nitridation or RPN is demonstrated to be a processing pathway for nitridation of Zr and Hf silicate alloys, and for Al 2 O 3 , as well. The dependence of nitrogen incorporation on the process pressure is qualitatively similar to what has been reported for the plasma-assisted nitridation of SiO 2 , the lower the process pressure the greater the nitrogen incorporation in the film. The increased incorporation of nitrogen has been correlated with the penetration of the plasma-glow into the process chamber, and the accompanying increase in the concentration of N 2 + ions that participate in the reactions leading to bulk incorporation. The nitrogen incorporation as been studied by Auger electron spectroscopy (AES), secondary ion mass spectrometry (SIMS) and X-ray absorption spectroscopy (XAS)

  13. Band Alignment and Optical Properties of (ZrO20.66(HfO20.34 Gate Dielectrics Thin Films on p-Si (100

    Directory of Open Access Journals (Sweden)

    Dahlang Tahir

    2011-11-01

    Full Text Available (ZrO20.66(HfO20.34 dielectric films on p-Si (100 were grown by atomic layer deposition method, for which the conduction band offsets, valence band offsets and band gaps were obtained by using X-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy. The band gap, valence and conduction band offset values for (ZrO20.66(HfO20.34 dielectric thin film, grown on Si substrate were about 5.34, 2.35 and 1.87 eV respectively. This band alignment was similar to that of ZrO2. In addition, The dielectric function ε (k, ω, index of refraction n and the extinction coefficient k for the (ZrO20.66(HfO20.34 thin films were obtained from a quantitative analysis of REELS data by comparison to detailed dielectric response model calculations using the QUEELS-ε (k,ω-REELS software package. These optical properties are similar with ZrO2 dielectric thin films.

  14. Effects of Sc and Zr on mechanical property and microstructure of tungsten inert gas and friction stir welded aerospace high strength Al–Zn–Mg alloys

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Ying, E-mail: csudengying@163.com [School of Metallurgy and Environment, Central South University, Hunan, Changsha 410083 (China); School of Materials Science and Engineering, Central South University, Hunan, Changsha 410083 (China); State Key Laboratory for Power Metallurgy, Central South University, Hunan, Changsha 410083 (China); Peng, Bing [School of Metallurgy and Environment, Central South University, Hunan, Changsha 410083 (China); Xu, Guofu, E-mail: csuxgf66@csu.edu.cn [School of Materials Science and Engineering, Central South University, Hunan, Changsha 410083 (China); State Key Laboratory for Power Metallurgy, Central South University, Hunan, Changsha 410083 (China); Pan, Qinglin; Yin, Zhimin; Ye, Rui [School of Materials Science and Engineering, Central South University, Hunan, Changsha 410083 (China); Wang, Yingjun; Lu, Liying [Northeast Light Alloy Co. Ltd., Hei Longjiang, Harbin 150060 (China)

    2015-07-15

    New aerospace high strength Al–Zn–Mg and Al–Zn–Mg–0.25Sc–0.10Zr (wt%) alloys were welded by tungsten inert gas (TIG) process using a new Al–6.0Mg–0.25Sc–0.10Zr (wt%) filler material, and friction stir welding (FSW) process, respectively. Mechanical property and microstructure of the welded joints were investigated comparatively by tensile tests and microscopy methods. The results show that Sc and Zr can improve the yield strength and ultimate tensile strength of Al–Zn–Mg alloy by 59 MPa (23.3%) and 16 MPa (4.0%) in TIG welded joints, and by 77 MPa (23.8%) and 54 MPa (11.9%) in FSW welded joints, respectively. The ultimate tensile strength and elongation of new Al–Zn–Mg–Sc–Zr alloy FSW welded joint are 506±4 MPa and 6.34±0.2%, respectively, showing superior post welded performance. Mechanical property of welded joint is mainly controlled by its “weakest microstructural zone”. TIG welded Al–Zn–Mg and Al–Zn–Mg–Sc–Zr alloys reinforced with weld bead both failed at fusion boundaries. Secondary Al{sub 3}Sc{sub x}Zr{sub 1−x} particles originally present in parent alloy coarsen during TIG welding process, but they can restrain the grain growth and recrystallization here, thus improving welding performance. For two FSW welded joints, fracture occurred in weld nugget zone. Secondary Al{sub 3}Sc{sub x}Zr{sub 1−x} nano-particles almost can keep unchangeable size (20–40 nm) across the entire FSW welded joint, and thus provide effective Orowan strengthening, grain boundary strengthening and substructure strengthening to strengthen FSW joints. The positive effect from Sc and Zr additions into base metals can be better preserved by FSW process than by TIG welding process.

  15. Effects of Sc and Zr on mechanical property and microstructure of tungsten inert gas and friction stir welded aerospace high strength Al–Zn–Mg alloys

    International Nuclear Information System (INIS)

    Deng, Ying; Peng, Bing; Xu, Guofu; Pan, Qinglin; Yin, Zhimin; Ye, Rui; Wang, Yingjun; Lu, Liying

    2015-01-01

    New aerospace high strength Al–Zn–Mg and Al–Zn–Mg–0.25Sc–0.10Zr (wt%) alloys were welded by tungsten inert gas (TIG) process using a new Al–6.0Mg–0.25Sc–0.10Zr (wt%) filler material, and friction stir welding (FSW) process, respectively. Mechanical property and microstructure of the welded joints were investigated comparatively by tensile tests and microscopy methods. The results show that Sc and Zr can improve the yield strength and ultimate tensile strength of Al–Zn–Mg alloy by 59 MPa (23.3%) and 16 MPa (4.0%) in TIG welded joints, and by 77 MPa (23.8%) and 54 MPa (11.9%) in FSW welded joints, respectively. The ultimate tensile strength and elongation of new Al–Zn–Mg–Sc–Zr alloy FSW welded joint are 506±4 MPa and 6.34±0.2%, respectively, showing superior post welded performance. Mechanical property of welded joint is mainly controlled by its “weakest microstructural zone”. TIG welded Al–Zn–Mg and Al–Zn–Mg–Sc–Zr alloys reinforced with weld bead both failed at fusion boundaries. Secondary Al 3 Sc x Zr 1−x particles originally present in parent alloy coarsen during TIG welding process, but they can restrain the grain growth and recrystallization here, thus improving welding performance. For two FSW welded joints, fracture occurred in weld nugget zone. Secondary Al 3 Sc x Zr 1−x nano-particles almost can keep unchangeable size (20–40 nm) across the entire FSW welded joint, and thus provide effective Orowan strengthening, grain boundary strengthening and substructure strengthening to strengthen FSW joints. The positive effect from Sc and Zr additions into base metals can be better preserved by FSW process than by TIG welding process

  16. Synergetic effects of Sc and Zr microalloying and heat treatment on mechanical properties and exfoliation corrosion behavior of Al-Mg-Mn alloys

    International Nuclear Information System (INIS)

    Peng, Yongyi; Li, Shu; Deng, Ying; Zhou, Hua; Xu, Guofu; Yin, Zhimin

    2016-01-01

    Mechanical properties, exfoliation corrosion behavior and microstructure of Al-5.98Mg-0.47Mn and Al-6.01Mg-0.45Mn-0.25Sc-0.10Zr (wt%) alloy sheets under various homogenizing and annealing processes were investigated comparatively by tensile tests, electrochemical measurements, X-ray diffraction technique and microscopy methods. The as-cast alloys mainly consist of Fe and Mn enriched impurity phases, Mg and Mn enriched non-equilibrium aluminides and Mg 3 Al 2 phases. During homogenization treatment, solvable intermetallics firstly precipitate and then dissolve into matrix. The optimized homogenization processes for removing micro-segregation and obtaining maximum precipitation strengthening of secondary Al 3 (Sc, Zr) particles are 440 °C×8 h and 300 °C×8 h, respectively. Sc and Zr additions can make the yield strength of Al-Mg-Mn alloy increase by 21 MPa (6.9%), 120 MPa (61.2%) and 127 MPa (68.3%), when annealed at 270 °C, 300 °C and 330 °C, respectively, indicating that Orowan precipitation strengthening caused by secondary Al 3 (Sc, Zr) nano-particles is much greater than grain boundary strengthening from primary Al 3 (Sc, Zr) micro-particles. Increasing homogenization and annealing degrees and adding Sc and Zr all can decrease corrosion current density and improve exfoliation corrosion resistance. The exfoliation corrosion behavior is dominant by anodic dissolution occurring at the interface between intermetallics and α(Al) matrix. After homogenizing at 440 °C for 8 h and annealing at 300 °C for 1 h, yield strength, ultimate strength, elongation to failure and exfoliation corrosion rank are 196 MPa, 360 MPa, 20.2% and PA (slight pitting corrosion) in Al-Mg-Mn alloy, and reach to 316 MPa, 440 MPa, 17.0% and PA in Al-Mg-Mn-Sc-Zr alloy, respectively, revealing that high strength, high ductility and admirable corrosion resistance of Al-Mg-Mn alloys can be achieved by the synergetic effects of Sc and Zr microalloying and heat treatment.

  17. The CaO-TiO2-ZrO2 system at 1,200 degree C and the solubilities of Hf and Gd in zirconolite

    International Nuclear Information System (INIS)

    Swenson, D.; Nieh, T.G.; Fournelle, J.H.

    1995-12-01

    In recent years, significant technological advancements have been made in the Synroc scheme for the immobilization high-level nuclear waste. However, many basic scientific issues related to Synroc fabrication have yet to be addressed. The CaO-TiO 2 -ZrO 2 system is an integral part of the Synroc formulation. Phase equilibria are established in the CaO-TiO 2 -ZrO 2 system at 1,200 C, using X-ray diffraction and electron probe microanalysis. The existence of two previously reported ternary phases, zirconolite (CaZrTi 2 O 7 ) and calzirtite (Ca 2 Zr 5 Ti 2 O 16 ), is confirmed. Each of these phases exhibits a significant range of homogeneity between TiO 2 and ZrO 2 while maintaining a nearly constant concentration of CaO. The ternary solubilities of the constituent binary phases are found to be negligible, with the exceptions of the perovskites, which display mutual solubility of at least 22 mol.% and may in fact form a series of continuous solid solutions. The solubilities of Hf and Gd in zirconolite are also investigated. While Hf-bearing samples did not reach thermodynamic equilibrium under the experimental conditions employed, the existence of a Hf analog to zirconolite, CaHfTi 2 O 7 , is conclusively demonstrated. The phase is stable at the stoichiometric composition, and its lattice parameters are very close to those reported in the literature for stoichiometric zirconolite. A Gd-bearing sample of the composition Ca 0.88 Zr 0.88 Gd 9.24 Ti 2 O 7 is found to be essentially single phase zirconolite, in agreement with previous investigations at higher temperatures

  18. Exfoliation corrosion of Al-Zn-Mg-Cu-Zr alloy containing Sc examined by electrochemical impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Y.P.; Liu, X.Y.; He, Y.B.; Li, C.L. [School of Materials Science and Engineering, Central South University, Changsha (China); Pan, Q.L. [School of Materials Science and Engineering, Central South University, Changsha (China); The Key Laboratory of Nonferrous Materials Science and Engineering of Ministry of Education, Changsha (China); Li, W.B. [School of Materials Science and Engineering, Central South University, Changsha (China); School of Civil Engineering, Hunan City University, Yiyang (China)

    2012-02-15

    The exfoliation corrosion behavior of an Al-Zn-Mg-Cu-Zr alloy containing Sc artificially aged at 120 C for 24 h is studied by macroscopic observation techniques and electrochemical impedance spectroscopy (EIS) measurements. After 48 h immersion, the blisters start bursting and delamination initiates, along with the appearance of two time constants in the impedance diagrams. According to the simulation by equivalent circuit, the corrosion rate decreases sharply and then reaches a steady state, which is due to the change of the solution pH and oxide layer thickness, as well as the accumulation of corrosion products. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Numerical analysis of residual stress of Al-Mg-Mn-Sc-Zr alloy subjected to surface strengthening by shot peening

    Directory of Open Access Journals (Sweden)

    Mariusz Stegliński

    2015-03-01

    Full Text Available In this paper, we presented the results of the analysis of the stresses in the Al-Mg5%-Mn1,5%-Sc0,8%-Zr0,4% alloy after shot peening process using solver ANSYSANSYSANSYS LS-Dyna. The computational model illustrates the phenomena occurring as a result of plastic deformation caused by hitting a steel ball on the surface of the analyzed aluminium alloy. We analyzed two input variables: diameter and speed of a ball. The resulting normal stress distribution centred exposes the minimum compressive stress at a position located at a depth point of Belayev 0.125 mm with a value of σ = –345 MPa. Variable parameter shows the correlation of the boundary conditions of minimum stress increase with increasing ball’s diameter and its speed. Selected points of numerical analysis were verified with experimental results.[b]Keywords[/b]: materials science, numerical analysis, metal forming, shot peening, aluminium

  20. Microstructure and high temperature stability of age hardenable AA2219 aluminium alloy modified by Sc, Mg and Zr additions

    Energy Technology Data Exchange (ETDEWEB)

    Naga Raju, P. [Metallurgical and Materials Engineering Department, IIT-Madras, Chennai 600036 (India)], E-mail: puvvala_nagaraju@yahoo.com; Srinivasa Rao, K. [Metallurgical Engineering Department, Andhra University, Visakapatnam 530003 (India); Reddy, G.M. [Defence Metallurgical Research Laboratory, Hyderabad 500258 (India); Kamaraj, M.; Prasad Rao, K. [Metallurgical and Materials Engineering Department, IIT-Madras, Chennai 600036 (India)

    2007-08-25

    The present work pertains to the improvement of high temperature stability of age hardenable AA2219 aluminium-copper (6.3%) alloy. Addition of scandium, magnesium and zirconium to the base metal AA2219 was adopted to improve this high temperature stability. These additions were systematically varied by preparing alloys of different composition using gas tungsten arc melting. Long time ageing studies and impression creep technique were used to study the high temperature stability of the alloys. These modified compositions of the alloy resulted in fine equiaxed grains, refined eutectics, large number of high temperature stable and finer precipitates. Among all the compositions, 0.8% Sc + 0.45% Mg + 0.2% Zr addition was found to be significant in improving the high temperature stability of AA2219 alloy. This may be attributed to the possible microstructural changes, solute enrichment of the matrix and pinning of the grain boundaries by the finer precipitates.

  1. Systems Tl2MoO4-E(MoO4)2, where E=Zr or Hf, and the crystal structure of Tl8Hf(MoO4)6

    International Nuclear Information System (INIS)

    Bazarov, B.G.; Bazarova, Ts.T.; Fedorov, K.N.; Bazarova, Zh.G.; Chimitova, O.D.; Klevtsova, R.F.; Glinskaya, L.A.

    2006-01-01

    Systems Tl 2 MoO 4 -E(MoO 4 ) 2 (E=Zr, Hf) were studied by X-ray diffraction, differential thermal analysis and IR spectroscopy. Formation of Tl 8 E(MoO 4 ) 6 and Tl 2 E(MoO 4 ) 2 compounds was established. Phase T-x diagrams of the Tl 2 MoO 4 -Zr(MoO 4 ) 2 system were constructed. Monocrystals were grown, and structure of Tl 8 Hf(MoO 4 ) 6 was studied. The compound is crystallized in monoclinic syngony with elementary cell parameters a=9.9688(6), b=18.830(1), c=7.8488(5) A, β=108.538(1) Deg, Z=2, sp. gr. C2/m. The isolated group [HfMo 6 O 24 ] 8- is responsible for fundamental fragment of the structure. Three varieties of crystallographically independent Tl-polyhedra fill space evenly between fragments [HfMo 6 O 24 ] 8- forming three-dimensional form [ru

  2. Experimental charge density determination in iso-structural Tellurides: Hf0.85GeTe4 and ZrGeTe4

    International Nuclear Information System (INIS)

    Israel, S.; Saravana Kumar, S.; Sheeba, R.A.J.R.; Saravanan, R.

    2012-01-01

    Hf 0.85 GeTe 4 is isostructural with stoichiometric ZrGeTe 4 and their crystal structure adopts a two-dimensional layered structure, each layer being composed of two unique one-dimensional chains of face sharing Hf/Zr-centered bicapped trigonal prisms and corner sharing Ge- centered tetrahedra. These layers stack on top of each other to complete the three-dimensional structure with undulating van der Waals gaps. Single crystal XRD is used for the refinement of the structural parameters. The space group Cmc2 1 was considered and the structure was the refined using the harmonic model by the software called JANA2006. The refined structure factors were then subsequently used in MEM (Maximum Entropy Method) technique for the construction of the charge density in the unit cell using software called PRIMA and then visualized with the help of visualization software called VESTA

  3. Phase diagrams for pseudo-binary carbide systems TiC-NbC, TiC-TaC, ZrC-NbC, ZrC-TaC and HfC-TaC

    International Nuclear Information System (INIS)

    Gusev, A.I.

    1985-01-01

    Parameters of interaction and energy of mutual exchange in the liquid and solid phases of pseudobinary TiC-NbC, TiC-TaC, ZrC-NbC, ZrC-TaC, HfC-TaC systems are calculated with account of dependence on composition and temperature. Positions of liquidus-solidus phase boundaries on the phase diagrams of the mentioned systems are calculated on the basis of the determined mutual exchange energies in approximati.on of subregular solutions. The existance of latent decomposition ranges in the solid phase on the phase diagrams of the investgated systems is established

  4. H-Phase Precipitation and Martensitic Transformation in Ni-rich Ni-Ti-Hf and Ni-Ti-Zr High-Temperature Shape Memory Alloys

    Science.gov (United States)

    Evirgen, A.; Pons, J.; Karaman, I.; Santamarta, R.; Noebe, R. D.

    2018-03-01

    The distributions of H-phase precipitates in Ni50.3Ti29.7Hf20 and Ni50.3Ti29.7Zr20 alloys formed by aging treatments at 500 and 550 °C or slow furnace cooling and their effects on the thermal martensitic transformation have been investigated by TEM and calorimetry. The comparative study clearly reveals faster precipitate-coarsening kinetics in the NiTiZr alloy than in NiTiHf. For precipitates of a similar size of 10-20 nm in both alloys, the martensite plates in Ni50.3Ti29.7Zr20 have larger widths and span a higher number of precipitates compared with the Ni50.3Ti29.7Hf20 alloy. However, for large H-phase particles with hundreds of nm in length, no significant differences in the martensitic microstructures of both alloy systems have been observed. The martensitic transformation temperatures of Ni50.3Ti29.7Hf20 are 80-90 °C higher than those of Ni50.3Ti29.7Zr20 in the precipitate-free state and in the presence of large particles of hundreds on nm in length, but this difference is reduced to only 10-20 °C in samples with small H-phase precipitates. The changes in the transformation temperatures are consistent with the differences in the precipitate distributions between the two alloy systems observed by TEM.

  5. Collapse of the magnetic moment under pressure of AFe{sub 2} (A=Y, Zr, Lu and Hf) in the cubic Laves phase

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wenxu, E-mail: xwzhang@uestc.edu.cn; Zhang, Wanli

    2016-04-15

    The electronic structures of four Laves phase iron compounds (e.g. YFe{sub 2}, ZrFe{sub 2}, LuFe{sub 2} and HfFe{sub 2}) have been calculated with a state-of-the-art full potential electronic structure code. Our theoretical work predicted that the magnetic moments collapse under hydrostatic pressure. This feature is found to be universal in these materials. Its electronic origin is provided by the sharp peaks in the density of states near the Fermi level. It is shown that a first order quantum phase transition can be expected under pressure in Y(Zr, or Lu)Fe{sub 2}, while a second order one in HfFe{sub 2}. The bonding characteristics are discussed to elucidate the equilibrium lattice constant variation. The large spontaneous volume magnetostriction gives one of the most important characteristics of these compounds. Invar anomalies in these compounds can be partly explained by the current work when the fast continuous magnetic moment decrease with the decrease of the lattice constant was properly considered. This work may be as a first insight into the rich world of quantum phase transition and Invar mechanism in these Laves phase compounds. - Highlights: • Magnetic moment of YFe{sub 2}, ZrFe{sub 2}, LuFe{sub 2} and HfFe{sub 2} collapses under pressure. • The transition in Y(Zr or Lu) Fe{sub 2} under pressure is first order. • The transition in HfFe{sub 2} under pressure is second order. • The Invar effects in the compounds can be put into the magnetostriction model.

  6. Anomalous structural evolution and liquid fragility signatures in Cu–Zr and Cu–Hf liquids and glasses

    International Nuclear Information System (INIS)

    Mauro, N.A.; Vogt, Adam J.; Johnson, Mark L.; Bendert, James C.; Soklaski, Ryan; Yang, Li; Kelton, K.F.

    2013-01-01

    The results of high energy X-ray scattering studies of equilibrium and supercooled Cu 100−x Zr x (x = 46 and 54) and Cu x Hf 100−x (x = 55 and 60.8) liquids and the corresponding glasses are presented. The liquid data were obtained in a containerless environment using the beamline electrostatic levitation (BESL) technique. The total structure factor and total pair correlation functions were measured as a function of temperature for the liquids, and for the glasses at room temperature. A developing asymmetry in the peak of the first coordination shell in the total pair correlation function suggests chemical ordering in the liquids with cooling. This asymmetry takes the form of two prominent peaks, suggesting two prominent ordering length scales. When the magnitudes of these peaks are extrapolated to the glass transition temperature a discontinuity is observed, indicating that an abrupt increase in the magnitude is required to match the observed peak heights in the glass. This suggests that the structure of the supercooled liquid orders more rapidly near the glass transition temperature, a conclusion that is supported by molecular dynamics simulations. This observed structural evolution of the liquid indicates that the concept of fragility, typically defined from the behavior of viscosity with temperature, has a measurable structural signature as well, which can be observed in X-ray diffraction studies

  7. Effect of the annealing temperature of thin Hf0.3Zr0.7O2 films on their energy storage behavior

    International Nuclear Information System (INIS)

    Park, Min Hyuk; Kim, Han Joon; Kim, Yu Jin; Moon, Taehwan; Kim, Keum Do; Hwang, Cheol Seong

    2014-01-01

    With increasing annealing temperature (T anneal ), the magnitude of the electric fields for the antiferroelectric-to-ferro-electric (E AF ) and ferroelectric-to-antiferroelectric (E FA ) transition of a 9.2 nm thick Hf 0.3 Zr 0.7 O 2 film decreased. The energy storage densities of the Hf 0.3 Zr 0.7 O 2 films crystallized at 400 C, 500 C, and 600 C were as large as 42.2 J/cm 3 , 40.4 J/cm 3 , and 28.3 J/cm 3 , respectively, at the electric field of 4.35 MV/cm. The maximum dielectric constant of the Hf 0.3 Zr 0.7 O 2 film crystallized at 600 C was the largest (∝46) as it had the smallest E AF and E FA , whereas the leakage current density of the film crystallized at 400 C was the smallest. The 400 C of T anneal was the optimum condition for energy storage application. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  9. Phase transformations in the rapidly solidified Ti{sub 40}Zr{sub 20}Hf{sub 20}Pd{sub 20} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, N. [Division of Engineering Materials, Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China); Yao Kefu [Division of Engineering Materials, Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China)], E-mail: kfyao@tsinghua.edu.cn; Louzguine-Luzgin, D.V. [Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan); Qiu Shengbao [Division of Engineering Materials, Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China); Ranganathan, S. [Department of Metallurgy, Indian Institute of Science, Bangalore 560 012 (India); Inoue, A. [Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan)

    2007-10-15

    We report that an approximant phase was initially obtained in amorphous Ti{sub 40}Zr{sub 20}Hf{sub 20}Pd{sub 20} alloy. In the initial stage of the devitrification process, the approximant phase transforms into an icosahedral (I) phase with a high thermal stability while the cF96 Zr{sub 2}Ni-type (space group Fd3-bar m with a=1.25nm and 96 atoms cell{sup -1}) particles precipitate from the amorphous matrix. Eventually the I phase grows to several hundred nanometers when annealed at about 1000K and then transforms into the Zr{sub 2}Ni-type phase with an endothermic reaction.

  10. New Intermetallic Ternary Phosphide Chalcogenide AP2-xXx (A = Zr, Hf; X = S, Se) Superconductors with PbFCl-Type Crystal Structure

    Science.gov (United States)

    Kitô, Hijiri; Yanagi, Yousuke; Ishida, Shigeyuki; Oka, Kunihiko; Gotoh, Yoshito; Fujihisa, Hiroshi; Yoshida, Yoshiyuki; Iyo, Akira; Eisaki, Hiroshi

    2014-07-01

    We have synthesized a series of intermetallic ternary phosphide chalcogenide superconductors, AP2-xXx (A = Zr, Hf; X = S, Se), using the high-pressure synthesis technique. These materials have a PbFCl-type crystal structure (space group P4/nmm) when x is greater than 0.3. The superconducting transition temperature Tc changes systematically with x, yielding dome-like phase diagrams. The maximum Tc is achieved at approximately x = 0.7, at which point the Tc is 6.3 K for ZrP2-xSex (x = 0.75), 5.5 K for HfP2-xSex (x = 0.7), 5.0 K for ZrP2-xSx (x = 0.675), and 4.6 K for Hfp2-xSx (x = 0.5). They are typical type-II superconductors and the upper and lower critical fields are estimated to be 2.92 T at 0 K and 0.021 T at 2 K for ZrP2-xSex (x = 0.75), respectively.

  11. Effects of minor Zr and Sr on as-cast microstructure and mechanical properties of Mg-3Ce-1.2Mn-0.9Sc (wt.%) magnesium alloy

    International Nuclear Information System (INIS)

    Pan Fusheng; Yang Mingbo; Shen Jia; Wu Lu

    2011-01-01

    Research highlights: → Minor Zr and/or Sr additions can effectively refine the grains of the Mg-3Ce-1.2Mn-0.9Sc alloy. → Minor Zr and/or Sr additions can improve the tensile properties of the Mg-3Ce-1.2Mn-0.9Sc alloy. → Minor Zr and/or Sr additions can improve the creep properties of the Mg-3Ce-1.2Mn-0.9Sc alloy. - Abstract: The effects of minor Zr and Sr on the as-cast microstructure and mechanical properties of the Mg-3Ce-1.2Mn-0.9Sc (wt.%) alloy were investigated by using optical and electron microscopies, differential scanning calorimetry (DSC) analysis, and tensile and creep tests. The results indicate that adding minor Zr and/or Sr to the Mg-3Ce-1.2Mn-0.9Sc alloy does not cause an obvious change in the morphology and distribution of the Mg 12 Ce phase. However, the grains of the Zr and/or Sr-containing alloys are effectively refined. Among the Zr and/or Sr-containing alloys, the grains of the alloy with the addition of 0.5 wt.%Zr + 0.1 wt.%Sr are the finest, followed by the alloys with the additions of 0.5 wt.%Zr and 0.1 wt.%Sr, respectively. In addition, small additions of Zr and/or Sr can improve the tensile and creep properties of the Mg-3Ce-1.2Mn-0.9Sc alloy. Among the Zr and/or Sr-containing alloys, the alloy with the addition of 0.5 wt.%Zr + 0.1 wt.%Sr obtains the optimum tensile and creep properties.

  12. Behaviour at the indicator scale of the elements Zr, Hf and 104, Nb,Ta and Pa (105) in very complexation media; Comportement a l`echelle des indicateurs des elements Zr, Hf, et 104, Nb, Ta, et Pa (105) en milieux tres complexants

    Energy Technology Data Exchange (ETDEWEB)

    Monroy Guzman, F. [Institut de Physique Nucleaire, CNRS - IN2P3 Universite Paris Sud, 91406 Orsay Cedex (France)

    1997-12-31

    In order to determine the chemical properties of the trans-actinide elements of Z = 104 and 105 in aqueous solutions we studied their behaviour to ion exchange resin in different complex media. Due to the very short lifetimes (some tens of seconds) et to the low yield of these elements (a few atoms per irradiation hour) only very fast radiochemical techniques can be used. These severe constraints impose comparative studies of these elements with their most likely homologues to be carried out. The corresponding homologues were the elements of group 4 (Zr and Hf) for the element 104 and the elements of group 5 (Nb and Ta) and also Pa for the element 105. The complexation properties of the elements at indicator scale were determined in the media of HF, NH{sub 4}/HClO{sub 4}, NH{sub 4}SCN/HClO{sub 4}, NH{sub 4}SCN/HF and HCl/HF by ion exchange chromatography. The studies in fluorides media allowed us to identify the complexes in solution and to explain the shape of the experimentally observed sorption curves. The decrease of sorption for higher acid concentration in case of HF/HCl medium was interpreted by formation of chloro-fluoro-complexes. In case of the mixture NH{sub 4}SCN/HF, the particularly pronounced anti-synergic effects were observed and discussed. At the same time studies of the Hf and Ta short-lived isotopes were carried out by means of the RACHEL facility operating by the Orsay Tandem accelerator. These realistic simulations allowed optimization of different production, transportation and separation stages of the trans-actinide elements. The two experiments of 104 element production showed that this element forms in HF very stable anionic complexes similarly to its homologues Zr and Hf. (authors). 181 refs.

  13. Behaviour at the indicator scale of the elements Zr, Hf and 104, Nb,Ta and Pa (105) in very complexation media; Comportement a l`echelle des indicateurs des elements Zr, Hf, et 104, Nb, Ta, et Pa (105) en milieux tres complexants

    Energy Technology Data Exchange (ETDEWEB)

    Monroy Guzman, F [Institut de Physique Nucleaire, CNRS - IN2P3 Universite Paris Sud, 91406 Orsay Cedex (France)

    1998-12-31

    In order to determine the chemical properties of the trans-actinide elements of Z = 104 and 105 in aqueous solutions we studied their behaviour to ion exchange resin in different complex media. Due to the very short lifetimes (some tens of seconds) et to the low yield of these elements (a few atoms per irradiation hour) only very fast radiochemical techniques can be used. These severe constraints impose comparative studies of these elements with their most likely homologues to be carried out. The corresponding homologues were the elements of group 4 (Zr and Hf) for the element 104 and the elements of group 5 (Nb and Ta) and also Pa for the element 105. The complexation properties of the elements at indicator scale were determined in the media of HF, NH{sub 4}/HClO{sub 4}, NH{sub 4}SCN/HClO{sub 4}, NH{sub 4}SCN/HF and HCl/HF by ion exchange chromatography. The studies in fluorides media allowed us to identify the complexes in solution and to explain the shape of the experimentally observed sorption curves. The decrease of sorption for higher acid concentration in case of HF/HCl medium was interpreted by formation of chloro-fluoro-complexes. In case of the mixture NH{sub 4}SCN/HF, the particularly pronounced anti-synergic effects were observed and discussed. At the same time studies of the Hf and Ta short-lived isotopes were carried out by means of the RACHEL facility operating by the Orsay Tandem accelerator. These realistic simulations allowed optimization of different production, transportation and separation stages of the trans-actinide elements. The two experiments of 104 element production showed that this element forms in HF very stable anionic complexes similarly to its homologues Zr and Hf. (authors). 181 refs.

  14. Sc- and Si-associated ULF and HF-doppler oscillations during the great magnetic storm of february 1986

    International Nuclear Information System (INIS)

    Yumoto, K.; Watanabe, T.; Takahashi, K.; Ogawa, T.

    1989-01-01

    Sc- and si-associated ionospheric Doppler velocity oscillations and geomagnetic pulsations observed during the great geomagnetic storm of February 1986 can be explained by the 'dynamo-motor' mechanism of ionospheric electric fields and by global compressional oscillations in the magnetosphere and ionosphere, respectively. (author)

  15. Asymmetric diffusion of Zr, Sc and Ce, Gd at the interface between zirconia electrolyte and ceria interlayer for solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Bo, E-mail: Liangbo@gdut.edu.cn; Tao, Tao; Zhang, Silong; Huang, Yongan; Cai, Zhihong; Lu, Shenguo, E-mail: sglu@gdut.edu.cn

    2016-09-15

    The microstructures of cathode interlayer and elemental diffusion behaviors across the interfacial region (electrolyte/interlayer) have been characterized using high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD) and scanning TEM combined with energy dispersive X-ray spectroscopy (STEM-EDS). A densified film about 100 nm is locally formed at the interface of electrolyte/interlayer as the interlayer using dip-coating method and being sintered at 1200 °C. It is observed that the compositional distribution curves across the interface are asymmetric. More amount of the Zr, Sc component is detected in gadolinium-doped ceria (GDC) than that of the Ce, Gd component is detected in scandia-stabilized-zirconia (SSZ). XRD and EDS results show that the densified layer might consist of (Zr, Ce)O{sub 2}-based solid solution. The high open circuit voltage of the cell is related to the dense structure of electrolyte, while the increased activation energy in overpotential resistance is attributed to the porous structure of interlayer as well as the high resistance phases locally formed at its interface. - Highlights: • The (Ce−Zr)O{sub 2} based solid solution was locally formed at 1200 °C. • More Zr, Sc elements were detected in GDC than Ce, Gd elements in SSZ. • Zirconia nanodomain was embedded in GDC beside grain boundary. • High OCVs were achieved due to the highly dense electrolyte layer.

  16. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    International Nuclear Information System (INIS)

    Pershina, V.; Borschevsky, A.; Iliaš, M.; Türler, A.

    2014-01-01

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl 4 , MOCl 2 , MCl 6 − , and MOCl 4 2 with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl 4 , the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔH sub , of the Zr and Hf tetrachlorides, i.e., Zr < Hf. On the basis of a correlation between these quantities, ΔH sub (RfCl 4 ) was predicted as 104.2 kJ/mol. The energy of physisorption of MOCl 2 on quartz should increase in the group, Zr < Hf < Rf, as defined by increasing dipole moments of these molecules along the series. In the case of adsorption of MCl 4 on quartz by chemical forces, formation of the MOCl 2 or MOCl 4 2− complexes on the surface can take place, so that the sequence in the adsorption energy should be Zr > Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl 4 on a chlorinated quartz surface, formation of the MCl 6 2− surface complexes can occur, so that the trend in the adsorption strength should be ZrHf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the “one-atom-at-a-time” gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations

  17. Electrical and structural properties of group-4 transition-metal nitride (TiN, ZrN, and HfN) contacts on Ge

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Keisuke; Nakashima, Hiroshi, E-mail: nakasima@astec.kyushu-u.ac.jp [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Noguchi, Ryutaro; Wang, Dong [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Mitsuhara, Masatoshi; Nishida, Minoru [Department of Engineering Sciences for Electronics and Materials, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Hara, Toru [National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)

    2015-09-21

    Electrical and structural properties were investigated for group-4 transition-metal nitride contacts on Ge (TiN/Ge, ZrN/Ge, and HfN/Ge), which were prepared by direct sputter depositions using nitride targets. These contacts could alleviate the intrinsic Fermi-level pinning (FLP) position toward the conduction band edge. It was revealed that this phenomenon is induced by an amorphous interlayer (a-IL) containing nitrogen atoms at the nitride/Ge interfaces. The strength of FLP alleviation positively depended on the thickness of a-IL. TiN/Ge and ZrN/Ge contacts with ∼2 nm-thick a-ILs showed strong FLP alleviations with hole barrier heights (Φ{sub BP}) in the range of 0.52–56 eV, and a HfN/Ge contact with an ∼1 nm-thick a-IL showed a weaker one with a Φ{sub BP} of 0.39 eV. However, TaN/Ge contact without a-IL did not show such FLP alleviation. Based on the results of depth distributions for respective elements, we discussed the formation kinetics of a-ILs at TiN/Ge and ZrN/Ge interfaces. Finally, we proposed an interfacial dipole model to explain the FLP alleviation.

  18. A comparison of the microstructure and high temperature tensile properties of a novel P/M Mo-Hf-Zr-Ta-C alloy and TZM

    International Nuclear Information System (INIS)

    Warren, J.; Reznikov, G.

    2001-01-01

    The microstructure and elevated temperature quasi-static tensile yield and ultimate strength observed in a novel, forged Mo-based alloy (Mo-0.25 Hf-0.25 Zr-0.25 Ta-0.025 C) has been analyzed and compared to a standard forged TZM composition (Mo-0.50 Ti-0.08 Zr-0.02 C). The novel material exhibits the desirable forging characteristics typical of the widely used TZM composition yet possess a higher ultimate strength and 0.2 % offset yield strength in both the stress-relieved and recrystallized conditions over a 400 o -1200 o C temperature range. The greater strength measured in the novel composition has been attributed to the combined effects of precipitation of Hf, Zr and Mo-(carbide) precipitates that strengthen the matrix in the classical Orowan fashion and improved resistance to recrystallization after high temperature exposure. Elevated temperature creep behavior, not addressed in the study presented here, will be reported on in a subsequent analysis. (author)

  19. Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

    International Nuclear Information System (INIS)

    Groebner, J.; Rokhlin, L.L.; Dobatkina, T.V.; Schmid-Fetzer, R.

    2007-01-01

    Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges

  20. Predictive calculation of phase formation in Al-rich Al-Zn-Mg-Cu-Sc-Zr alloys using a thermodynamic Mg-alloy database

    Energy Technology Data Exchange (ETDEWEB)

    Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany); Rokhlin, L.L. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Dobatkina, T.V. [Baikov Institute of Metallurgy and Materials Science, Leninsky prosp. 49, 119991 GSP-1, Moscow (Russian Federation); Schmid-Fetzer, R. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch Strasse 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

    2007-05-16

    Three series of Al-rich alloys in the system Al-Zn-Mg-Cu-Sc-Zr and the subsystems Al-Zn-Mg-Cu-Sc and Al-Zn-Mg-Sc were studied by thermodynamic calculations. Phase formation was compared with experimental data obtained by DTA and microstructural analysis. Calculated phase diagrams, phase amount charts and enthalpy charts together with non-equilibrium calculations under Scheil conditions reveal significant details of the complex phase formation. This enables consistent and correct interpretation of thermal analysis data. Especially the interpretation of liquidus temperature and primary phase is prone to be wrong without using this tool of computational thermodynamics. All data are predictions from a thermodynamic database developed for Mg-alloys and not a specialized Al-alloy database. That provides support for a reasonable application of this database for advanced Mg-alloys beyond the conventional composition ranges.

  1. Thermal and electronic charge transport in bulk nanostructured Zr0.25Hf0.75NiSn composites with full-Heusler inclusions

    International Nuclear Information System (INIS)

    Makongo, Julien P.A.; Misra, Dinesh K.; Salvador, James R.; Takas, Nathan J.; Wang, Guoyu; Shabetai, Michael R.; Pant, Aditya; Paudel, Pravin; Uher, Ctirad; Stokes, Kevin L.; Poudeu, Pierre F.P.

    2011-01-01

    Bulk Zr 0.25 Hf 075 NiSn half-Heusler (HH) nanocomposites containing various mole fractions of full-Heusler (FH) inclusions were prepared by solid state reaction of pre-synthesized HH alloy with elemental Ni at 1073 K. The microstructures of spark plasma sintered specimens of the HH/FH nanocomposites were investigated using transmission electron microscopy and their thermoelectric properties were measured from 300 K to 775 K. The formation of coherent FH inclusions into the HH matrix arises from solid-state Ni diffusion into vacant sites of the HH structure. HH(1-y)/FH(y) composites with mole fraction of FH inclusions below the percolation threshold, y∼0.2, show increased electrical conductivity, reduced Seebeck coefficient and increased total thermal conductivity arising from gradual increase in the carrier concentration for composites. A drastic reduction (∼55%) in κ l was observed for the composite with y=0.6 and is attributed to enhanced phonon scattering due to mass fluctuations between FH and HH, and high density of HH/FH interfaces. - Graphical abstract: Large reduction in the lattice thermal conductivity of bulk nanostructured half-Heusler/full-Heusler (Zr 0.25 Hf 075 NiSn/ Zr 0.25 Hf 075 Ni 2 Sn) composites, obtained by solid-state diffusion at 1073 K of elemental Ni into vacant sites of the half-Heusler structure, arising from the formation of regions of spinodally decomposed HH and FH phases with a spatial composition modulation of ∼2 nm. Highlights: → Bulk composites from solid state transformation of half-Heusler matrix through Ni diffusion. → Formation of coherent phase boundaries between half-Heusler matrix and full-Heusler inclusion. → Alteration of thermal and electronic transports with increasing full-Heusler inclusion. → Enhanced phonon scattering at half-Heusler/ full-Heusler phase boundaries.

  2. The water adsorption on the surfaces of SrMO{sub 3} (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

    Energy Technology Data Exchange (ETDEWEB)

    Evarestov, R A; Bandura, A V; Blokhin, E N [Department of Quantum Chemistry, St. Petersburg State University 26 University Ave., Petergoff, St. Petersburg, 198504 (Russian Federation)

    2007-12-15

    Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO{sub 3}, SrZrO{sub 3}, and SrHfO{sub 3} 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.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

    Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO 3 , SrZrO 3 , and SrHfO 3 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

  4. Very large phase shift of microwave signals in a 6 nm Hf x Zr1-x O2 ferroelectric at ±3 V

    Science.gov (United States)

    Dragoman, Mircea; Modreanu, Mircea; Povey, Ian M.; Iordanescu, Sergiu; Aldrigo, Martino; Romanitan, Cosmin; Vasilache, Dan; Dinescu, Adrian; Dragoman, Daniela

    2017-09-01

    In this letter, we report for the first time very large phase shifts of microwaves in the 1-10 GHz range, in a 1 mm long gold coplanar interdigitated structure deposited over a 6 nm Hf x Zr1-x O2 ferroelectric grown directly on a high resistivity silicon substrate. The phase shift is larger than 60° at 1 GHz and 13° at 10 GHz at maximum applied DC voltages of ±3 V, which can be supplied by a simple commercial battery. In this way, we demonstrate experimentally that the new ferroelectrics based on HfO2 could play an important role in the future development of wireless communication systems for very low power applications.

  5. Hybrid HF-DFT comparative study of SrZrO{sub 3} and SrTiO{sub 3}(001) surface properties

    Energy Technology Data Exchange (ETDEWEB)

    Evarestov, R.A.; Bandura, A.V.; Alexandrov, V.E. [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetskii Prospekt, Stary Petergof, 198504 St. Petersburg (Russian Federation)

    2006-10-15

    Hybrid HF-DFT LCAO simulations of SrZrO{sub 3} and SrTiO{sub 3}(001) surface properties are performed in a single-slab model framework. The SrZrO{sub 3}(001) surface was studied by an ab initio method for the first time. Three slab models with different surface terminations including up to 8 atomic planes were used for calculation of the various surface characteristics (surface energies, atomic charges, density of electronic states). The dependence of the results on the chosen model and on the kind of d-element is analyzed. The dissimilarity in the surface oxygen atom contributions to the total density of states of two crystals is attributed to the more ionic nature of Zr-O bonds compared to Ti-O bonds. It is found that in the case of SrZrO{sub 3} the electronic density is biased towards the SrO-terminated surface and this surface should be more basic in nature than the SrO surface of SrTiO{sub 3} crystal. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Crystal structure and thermal expansion of the low- and high-temperature forms of Ba MIV(PO 4) 2 compounds ( M=Ti, Zr, Hf and Sn)

    Science.gov (United States)

    Bregiroux, D.; Popa, K.; Jardin, R.; Raison, P. E.; Wallez, G.; Quarton, M.; Brunelli, M.; Ferrero, C.; Caciuffo, R.

    2009-05-01

    The crystal structure of β-BaZr(PO 4) 2, archetype of the high-temperature forms of Ba M(PO 4) 2 phosphates (with M=Ti, Zr, Hf and Sn), has been solved ab initio by Rietveld analysis from synchrotron X-ray powder diffraction data. The phase transition appears as a topotactic modification of the monoclinic (S.G. C2/m) lamellar α-structure into a trigonal one (S.G. P3¯m1) through a simple mechanism involving the unfolding of the [Zr)]n2- layers. The thermal expansion is very anisotropic (e.g., -4.1< α i<34.0×10 -6 K -1 in the case of α-BaZr(PO 4) 2) and quite different in the two forms, as a consequence of symmetry. It stems from a complex combination of several mechanisms, involving bridging oxygen rocking in M-O-P linkages, and "bond thermal expansion".

  7. OMS, OM(η2-SO), and OM(η2-SO)(η2-SO2) molecules (M = Ti, Zr, Hf): infrared spectra and density functional calculations.

    Science.gov (United States)

    Liu, Xing; Wang, Xuefeng; Wang, Qiang; Andrews, Lester

    2012-07-02

    Infrared spectra of the matrix isolated OMS, OM(η(2)-SO), and OM(η(2)-SO)(η(2)-SO(2)) (M = Ti, Zr, Hf) molecules were observed following laser-ablated metal atom reactions with SO(2) during condensation in solid argon and neon. The assignments for the major vibrational modes were confirmed by appropriate S(18)O(2) and (34)SO(2) isotopic shifts, and density functional vibrational frequency calculations (B3LYP and BPW91). Bonding in the initial OM(η(2)-SO) reaction products and in the OM(η(2)-SO)(η(2)-SO(2)) adduct molecules with unusual chiral structures is discussed.

  8. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    Science.gov (United States)

    Pershina, V.; Borschevsky, A.; Iliaš, M.; Türler, A.

    2014-08-01

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl4, MOCl2, MCl6-, and MOCl42 with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl4, the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔHsub, of the Zr and Hf tetrachlorides, i.e., Zr Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl4 on a chlorinated quartz surface, formation of the MCl62- surface complexes can occur, so that the trend in the adsorption strength should be ZrHf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the "one-atom-at-a-time" gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations.

  9. Humic Acid Complexation of Th, Hf and Zr in Ligand Competition Experiments: Metal Loading and Ph Effects

    Science.gov (United States)

    Stern, Jennifer C.; Foustoukos, Dionysis I.; Sonke, Jeroen E.; Salters, Vincent J. M.

    2014-01-01

    The mobility of metals in soils and subsurface aquifers is strongly affected by sorption and complexation with dissolved organic matter, oxyhydroxides, clay minerals, and inorganic ligands. Humic substances (HS) are organic macromolecules with functional groups that have a strong affinity for binding metals, such as actinides. Thorium, often studied as an analog for tetravalent actinides, has also been shown to strongly associate with dissolved and colloidal HS in natural waters. The effects of HS on the mobilization dynamics of actinides are of particular interest in risk assessment of nuclear waste repositories. Here, we present conditional equilibrium binding constants (Kc, MHA) of thorium, hafnium, and zirconium-humic acid complexes from ligand competition experiments using capillary electrophoresis coupled with ICP-MS (CE- ICP-MS). Equilibrium dialysis ligand exchange (EDLE) experiments using size exclusion via a 1000 Damembrane were also performed to validate the CE-ICP-MS analysis. Experiments were performed at pH 3.5-7 with solutions containing one tetravalent metal (Th, Hf, or Zr), Elliot soil humic acid (EHA) or Pahokee peat humic acid (PHA), and EDTA. CE-ICP-MS and EDLE experiments yielded nearly identical binding constants for the metal- humic acid complexes, indicating that both methods are appropriate for examining metal speciation at conditions lower than neutral pH. We find that tetravalent metals form strong complexes with humic acids, with Kc, MHA several orders of magnitude above REE-humic complexes. Experiments were conducted at a range of dissolved HA concentrations to examine the effect of [HA]/[Th] molar ratio on Kc, MHA. At low metal loading conditions (i.e. elevated [HA]/[Th] ratios) the ThHA binding constant reached values that were not affected by the relative abundance of humic acid and thorium. The importance of [HA]/[Th] molar ratios on constraining the equilibrium of MHA complexation is apparent when our estimated Kc, MHA values

  10. Ion irradiation induced order-to-disorder transformations in δ-phase Sc4-xZr3+xO12+x/2

    International Nuclear Information System (INIS)

    Zhang, J.; Wang, Y.Q.; Tang, M.; Valdez, J.A.; Sickafus, K.E.

    2010-01-01

    The purpose of this study is to investigate the role of stoichiometry on crystal structure transformations in derivative fluorite compounds known as delta (δ) phase. In this study, polycrystalline δ-phase ceramic pellets were prepared with stoichiometries given by Sc 4-x Zr 3+x O 12+x/2 (x = 0, 0.77 and 1.20) . The pressed and polished pellets were then irradiated under cryogenic conditions with 200 keV Ne + ions to fluences ranging from 1-5 x 10 14 Ne/cm 2 . An order-to-disorder (O-D) transformation was observed for all compositions, as determined using grazing incidence X-ray diffraction (GIXRD). However, the transformation threshold dose was found to systematically decrease with increasing ZrO 2 content: ∼0.2, ∼0.16, and ∼0.08 dpa for Sc 4-x Zr 3+x O 12+x/2 with x = 0, 0.77, and 1.20, respectively. These irradiation-induced phase transformation results are discussed in terms of the crystal structure of the δ-phase.

  11. Investigation of the Thermal Stability of Nd(x)Sc(y)Zr(1-x-y)O(2-δ) Materials Proposed for Inert Matrix Fuel Applications.

    Science.gov (United States)

    Hayes, John R; Grosvenor, Andrew P; Saoudi, Mouna

    2016-02-01

    Inert matrix fuels (IMF) consist of transuranic elements (i.e., Pu, Am, Np, Cm) embedded in a neutron transparent (inert) matrix and can be used to "burn up" (transmute) these elements in current or Generation IV nuclear reactors. Yttria-stabilized zirconia has been extensively studied for IMF applications, but the low thermal conductivity of this material limits its usefulness. Other elements can be used to stabilize the cubic zirconia structure, and the thermal conductivity of the fuel can be increased through the use of a lighter stabilizing element. To this end, a series of Nd(x)Sc(y)Zr(1-x-y)O(2-δ) materials has been synthesized via a co-precipitation reaction and characterized by multiple techniques (Nd was used as a surrogate for Am). The long-range and local structures of these materials were studied using powder X-ray diffraction, scanning electron microscopy, and X-ray absorption spectroscopy. Additionally, the stability of these materials over a range of temperatures has been studied by annealing the materials at 1100 and 1400 °C. It was shown that the Nd(x)Sc(y)Zr(1-x-y)O(2-δ) materials maintained a single cubic phase upon annealing at high temperatures only when both Nd and Sc were present with y ≥ 0.10 and x + y > 0.15.

  12. Analysis of sodium metal by X-ray fluorescence spectrometry (I). Determination of Hf, Mo, Nb, Ta, Ti, V and Zr

    International Nuclear Information System (INIS)

    Diaz-Guerra, J. P.

    1981-01-01

    A method allowing the determination of trace quantities of Hf, Mo, Nb, Ta, Ti, Vi and Zr in sodium metal previous transformation into Na 2 S0 4 is described. The enrichment of the impurities is performed through a coprecipitation technique in sulfuric medium by using Fe 3 + as a collector and cupferron or phenyfluorone as the precipitating reagent. The matrix influence and the best concentration of the collector (10/μ/ml), adequate pH (1,3 or 4, respectively) and optimum filter type (Millipore BSWP02500 or BDWP04700, respectively) have been studied, as well as the precipitation recoveries corresponding to the reagent above. It has been demonstrated the batter efficiency of the cupferron for determining all the Impurities. Detection limits range from 0.01 to 0.2 ppm., depending on the element, for samples 4 g in weight. An automatic spectrometer attached to a 16 K minicomputer and X-ray tube with a gold anode (2250-2700 W) are used. The Interferences between the lines ZrKα (2 n d order) - HfLα and TiKβ - VK α have been studied and the respective correction coefficients have been deduced. (Author) 8 refs

  13. TiNiSn and Zr{sub 0.5}Hf{sub 0.5}NiSn superlattices for thermoelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, Tino; Jakob, Gerhard [Institut fuer Physik, Universitaet Mainz, 55099 Mainz (Germany); Schwall, Michael; Kozina, Xeniya; Balke, Benjamin; Felser, Claudia [Institut fuer Analytische und Anorganische Chemie, Universitaet Mainz, 55099 Mainz (Germany); Populoh, Sascha; Weidenkaff, Anke [EMPA, Ueberlandstrasse 129, 8600 Duebendorf (Switzerland)

    2012-07-01

    In order to increase the attractiveness of thermoelectric devices, their efficiency must be increased. Beside others, the properties of the thermoelectric material can be improved. That can be achieved by either increasing Seebeck coefficient or conductivity or by a depressed thermal conductivity along the thermal gradient. For thin films, superlattices or multilayers can be used to lower the cross plane thermal conductivity. As a bottom up approach, artificially layered films with a periodicity of about 5-6 nm are assumed to generate the most phonon scattering at the interfaces. If electrical properties remain unchanged or less effected, the thermoelectric efficiency is enhanced. Semiconducting Half-Heuslers are well studied thermoelectric bulk materials. Among others, TiNiSn and Zr{sub 0.5}Hf{sub 0.5}NiSn are potential candidates. Essentially, their similar lattice constants enable epitaxial layers on top of each other. Furthermore, varied atomic masses of Ti, Zr and Hf generate the aspired alternating mass distribution. By rotating the substrate in between simultaneously burning cathodes, significant film thicknesses can be achieved by sputter deposition.

  14. Investigation and modeling of Al3(Sc, Zr) precipitation strengthening in the presence of enhanced supersaturation and within Al-Cu binary alloys

    Science.gov (United States)

    Deane, Kyle

    Diffuse Al-Sc and Al-Zr alloys have been demonstrated in literature to be relatively coarsening resistant at higher temperatures when compared with commonly used precipitation strengthening alloys (e.g. 2000 series, 6000 series). However, because of a limited strengthening due to the low solubility of scandium and zirconium in aluminum, and owing to the scarcity and therefore sizeable price tag attached to scandium, little research has been done in the way of optimizing these alloys for commercial applications. With this in mind, this dissertation describes research which aims to tackle several important areas of Al-Sc-Zr research that have been yet unresolved. In Chapter 4, rapid solidification was utilized to enhance the achievable supersaturation of the alloy in an effort to increase the achievable precipitate strengthening. In Chapter 5, Additive Friction Stir processing (AFS), a novel method of mechanically combining materials without melting, was employed in an attempt to pass the benefits of supersaturation from melt spun ribbon into a more structurally useful bulk material. In Chapter 6, a Matlab program written to predict precipitate nucleation, growth, and coarsening with a modified Kampmann and Wagner Numerical (KWN) model, was used to predict heat treatment regimens for more efficient strengthening. Those predictions were then tested experimentally to test the validity of the results. And lastly, in Chapter 7, the effect of zirconium on Al-Cu secondary precipitates was studied in an attempt to increase their thermal stability, as much higher phase fractions of Al-Cu precipitates are achievable than Al-Zr precipitates.

  15. A new type of Nb (Ta)-Zr(Hf)-REE-Ga polymetallic deposit in the late Permian coal-bearing strata, eastern Yunnan, southwestern China: Possible economic significance and genetic implications

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Shifeng; Wang, Xibo; Luo, Yangbing; Song, Zhentao; Ren, Deyi [State Key Laboratory of Coal Resources and Safe Mining, China University of Mining and Technology, Beijing 100083 (China); Zhou, Yiping; Zhang, Mingquan; Wang, Jumin; Song, Xiaolin; Yang, Zong [Yunnan Institute of Coal Geology Prospection, Kunming 650218 (China); Jiang, Yaofa [Xuzhou Institute of Architectural Technology, Xuzhou 221116 (China)

    2010-07-01

    This paper describes a new type of Nb(Ta)-Zr(Hf)-REE-Ga polymetallic deposit of volcanic origin in the late Permian coal-bearing strata of eastern Yunnan, southwestern China. Well logging data (especially natural gamma-ray), geochemical data (high concentrations of Nb, Ta, Zr, Hf, REE, and Ga) and mineralogical compositions (Nb(Ta)-, Zr(Hf)-, or REE-bearing minerals rarely observed), together with the volcanic lithological characteristics indicate that there are thick (1-10 m, mostly 2-5 m) ore beds in the lower Xuanwei Formation (late Permian) in eastern Yunann of southwestern China. The ore beds are highly enriched in (Nb,Ta){sub 2}O{sub 5} (302-627 ppm), (Zr,Hf)O{sub 2} (3805-8468 ppm), REE (oxides of La-Lu + Y) (1216-1358 ppm), and Ga (52.4-81.3 ppm). The ore beds are mainly composed of quartz, mixed-layer illite-smectite, kaolinite, berthierine, and albite. Four types of ore beds in the study area were identified, namely, clay altered volcanic ash, tuffaceous clay, tuff, and volcanic breccia. Preliminary studies suggest that the high concentrations of otherwise rare metals were mainly derived from the alkalic pyroclastic rocks. The modes of occurrence, spatial distribution, and enrichment mechanism of the rare metals, however, require further study. (author)

  16. Thermoelectric properties of TiNiSn and Zr0.5Hf0.5NiSn thin films and superlattices with reduced thermal conductivities

    International Nuclear Information System (INIS)

    Jaeger, Tino

    2013-01-01

    Rising energy costs and enhanced CO 2 emission have moved research about thermoelectric (TE) materials into focus. The suitability of a material for usage in TE devices depends on the figure of merit ZT and is equal to α 2 σTκ -1 including Seebeck coefficient α, conductivity σ, temperature T and thermal conductivity κ. Without affecting the power factor α 2 σ, using nanostructuring, ZT should here be increased by a depressed thermal conductivity. As half-Heusler (HH) bulk materials, the TE properties of TiNiSn and Zr 0.5 Hf 0.5 NiSn have been extensively studied. Here, semiconducting TiNiSn and Zr 0.5 Hf 0.5 NiSn thin films were fabricated for the first time by dc magnetron sputtering. On MgO (100) substrates, strongly textured polycrystalline films were obtained at substrate temperatures of about 450 C. The film consisted of grains with an elongation perpendicular to the surface of 55 nm. These generated rocking curves with FWHMs of less than 1 . Structural analyses were performed by X ray diffraction (XRD). Having deposition rates of about 1 nms -1 within shortest time also films in the order of microns were fabricated. For TiNiSn the highest in-plane power factor of about 0.4 mWK -2 m -1 was measured at about 550 K. In addition, at room temperature a cross-plane thermal conductivity of 2.8 Wm -1 K -1 was observed by the differential 3ω method. Because the reduction of thermal conductivity by mass fluctuation is well-known and interface scattering of phonons is expected, superlattices (SL) were fabricated. Therefore, TiNiSn and Zr 0.5 Hf 0.5 NiSn were successively deposited. While the sputter cathodes were continuously running, for fabrication of SLs the substrates were moved from one to another. The high crystal quality of the SLs and the sharp interfaces were proven by satellite peaks (XRD) and Scanning Transmission Electron Microscopy (STEM). For a SL with a periodicity of 21 nm (TiNiSn and Zr 0.5 Hf 0.5 NiSn each 15 nm) at a temperature of 550 K an

  17. Analysis of local regions near the interfaces in nanostructured multicomponent cathodic – arc – vapor – deposition (CAVD) coatings (Ti-Zr-Hf-V-Nb)N

    International Nuclear Information System (INIS)

    Kraus-Rekhberg, R.; Pogrebnyak, A. D.; Borisyuk, V. N.; Kaverin, M. V.; Belokur, M.A.; Ponomarev, G.; Ojoshi, K.; Takeda, J.; Beresnev, V. M.; Sobol', O. V.

    2013-01-01

    Multicomponent, nanostructure (Ti- Zr-Hf-V-Nb)N coatings derived using cathodic – Arc – Vapor – Deposition method, were characterized by applying SPB, (μ-PIXE), EDS and SEM-analysis), XRD methods, including ''a-sin 2 φ'' procedure. It was found that through the creation of high elastic strains of compression in coating it is possible to a significant extent enhance its oxidation resistance under high-temperature annealing. During the characterization of coatings the elements and defects’ redistribution was discovered, its segregation through thermally-stimulated diffusion and the spinoidal segregation process end, in the neighborhood of the interfaces, around grains and subgrains, without substantial change of the average nanograin dimension. (authors)

  18. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pershina, V., E-mail: V.Pershina@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, Darmstadt D-64291 (Germany); Borschevsky, A. [Helmholtz Institute Mainz, Mainz D-55128, Germany and Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study, Massey University, Private Bag 102904, 0745 North Shore MSC, Auckland (New Zealand); Iliaš, M. [Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, SK-974 00 Banská Bystrica (Slovakia); Türler, A. [Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland and Laboratory for Radiochemistry and Environmental Chemistry, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2014-08-14

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl{sub 4}, MOCl{sub 2}, MCl{sub 6}{sup −}, and MOCl{sub 4}{sup 2} with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl{sub 4}, the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔH{sub sub}, of the Zr and Hf tetrachlorides, i.e., Zr < Hf. On the basis of a correlation between these quantities, ΔH{sub sub}(RfCl{sub 4}) was predicted as 104.2 kJ/mol. The energy of physisorption of MOCl{sub 2} on quartz should increase in the group, Zr < Hf < Rf, as defined by increasing dipole moments of these molecules along the series. In the case of adsorption of MCl{sub 4} on quartz by chemical forces, formation of the MOCl{sub 2} or MOCl{sub 4}{sup 2−} complexes on the surface can take place, so that the sequence in the adsorption energy should be Zr > Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl{sub 4} on a chlorinated quartz surface, formation of the MCl{sub 6}{sup 2−} surface complexes can occur, so that the trend in the adsorption strength should be ZrHf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the “one-atom-at-a-time” gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations.

  19. Effect of Cold Deformation and Annealing on the Microstructure and Tensile Properties of a HfNbTaTiZr Refractory High Entropy Alloy

    Science.gov (United States)

    Senkov, O. N.; Pilchak, A. L.; Semiatin, S. L.

    2018-05-01

    The microstructure and tensile properties of HfNbTaTiZr after cold working and annealing were investigated. Cold work was introduced by axial compression followed by rolling resulting in a total thickness reduction of 89 pct without any evidence of cracking. The cold-worked material retained a single-phase microstructure and had a room temperature tensile yield stress σ 0.2 = 1438 MPa, peak true stress σ p = 1495 MPa, and true fracture strain ɛ f = 5 pct. Annealing at 800 °C for up to 256 hours resulted in the precipitation of Nb and Ta rich particles with a BCC crystal structure inside a Hf-and-Zr-enriched BCC matrix. The second phase particles nucleated heterogeneously inside deformation bands and slip lines and coarsened during annealing. Analysis of the coarsening behavior suggested that kinetics were controlled by the diffusion of Nb and Ta. In the two-phase material, σ 0.2 and σ p decreased from 1159 to 1071 MPa and from 1174 to 1074 MPa, respectively, with an increase in particle diameter from 0.18 to 0.72 μm, while ɛ f remained between 5 and 8 pct. Full recrystallization and normal grain growth, with the activation energy of 238 kJ/mol and activation volume of 5.3 to 9.6 m3/mol, occurred during annealing above 1000 °C. After heat treatment at this temperature, the alloy was characterized by a single-phase BCC structure with σ 0.2 = 1110 to 1115 MPa, σ p = 1160 to 1195 MPa, and ɛ f = 12 to 19 pct with the maximum values attained after annealing for 1 hour.

  20. Microstructure and mechanical properties of a single crystal NiAl alloy with Zr or Hf rich G-phase precipitates

    Science.gov (United States)

    Locci, I. E.; Noebe, R. D.; Bowman, R. R.; Miner, R. V.; Nathal, M. V.; Darolia, R.

    1991-01-01

    The possibility of producing NiAl reinforced with the G-phase (Ni16X6Si7), where X is Zr or Hf, has been investigated. The microstructure of these NiAl alloys have been characterized in the as-cast and annealed conditions. The G-phases are present as fine cuboidal precipitates (10 to 40 nm) and have lattice parameters almost four times that of NiAl. They are coherent with the matrix and fairly resistant to coarsening during annealing heat treatments. Segregation and nonuniform precipitate distribution observed in as-cast materials were eliminated by homogenization at temperatures near 1600 K. Slow cooling from these temperatures resulted in large plate shaped precipitates, denuded zones, and a loss of coherency in some of the large particles. Faster cooling produced a homogeneous fine distribution of cuboidal G-phase particles in the matrix. Preliminary mechanical properties for the Zr-doped alloy are presented and compared to binary single crystal NiAl. The presence of these precipitates appears to have an important strengthening effect at temperatures not less than 1000 K compared to binary NiAl single crystals.

  1. Microstructure and mechanical properties of a single crystal NiAl alloy with Zr or Hf rich G-phase precipitates

    International Nuclear Information System (INIS)

    Locci, I.E.; Noebe, R.D.; Bowman, R.R.; Miner, R.V.; Nathal, M.V.

    1991-01-01

    In this paper the possibility of producing NiAl reinforced with the G-phase (Ni 16 X 6 Si 7 ), where X is Zr or Hf, has been investigated. The microstructures of these NiAl alloys have been characterized in the as-cast and annealed conditions. The G-phases are present as fine cuboidal precipitates (10 to 40 nm) and have lattice parameters almost four times that of NiAl. They are coherent with the matrix and fairly resistant to coarsening during annealing heat treatments. Segregation and non-uniform precipitate distribution observed in as-cast materials were eliminated by homogenization at temperatures near 1600 K. Slow cooling from these temperatures resulted in large plate shaped precipitates, denuded zones, and a loss of coherency in some of the large particles. Faster cooling produced a homogeneous fine distribution of cuboidal G-phase particles (≤10 nm) in the matrix. Preliminary mechanical properties for the Zr-doped alloy are presented and compared to binary single crystal NiAl. The presence of these precipitates appears to have an important strengthening effect at temperatures ≥1000 K compared to binary NiAl single crystals

  2. Analysis of sodium metal by X-ray fluorescence spectrometry (I). Determination of Hf, Mo, Nb, Ta, Ti, V and Zr; Analisis de sodio metal por espectrometria de fluorescencia de rayos X. Determinacion de Hf, Mo, Nb, Ta, Ti, V y Zr

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Guerra, J P

    1981-07-01

    A method allowing the determination of trace quantities of Hf, Mo, Nb, Ta, Ti, Vi and Zr in sodium metal previous transformation into Na{sub 2}S0{sub 4} is described. The enrichment of the impurities is performed through a coprecipitation technique in sulfuric medium by using Fe{sup 3}+ as a collector and cupferron or phenyfluorone as the precipitating reagent. The matrix influence and the best concentration of the collector (10/{mu}/ml), adequate pH (1,3 or 4, respectively) and optimum filter type (Millipore BSWP02500 or BDWP04700, respectively) have been studied, as well as the precipitation recoveries corresponding to the reagent above. It has been demonstrated the batter efficiency of the cupferron for determining all the Impurities. Detection limits range from 0.01 to 0.2 ppm., depending on the element, for samples 4 g in weight. An automatic spectrometer attached to a 16 K minicomputer and X-ray tube with a gold anode (2250-2700 W) are used. The Interferences between the lines ZrK{alpha} (2{sup n}d order) - HfL{alpha} and TiK{beta} - VK {alpha} have been studied and the respective correction coefficients have been deduced. (Author) 8 refs.

  3. Retention at room temperature of the tetragonal t''-form in Sc{sub 2}O{sub 3}-doped ZrO{sub 2} nanopowders

    Energy Technology Data Exchange (ETDEWEB)

    Abdala, Paula M., E-mail: pabdala@citefa.gov.a [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Lamas, Diego G. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Fantini, Marcia C.A.; Craievich, Aldo F. [Instituto de Fisica, FAP, USP, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil)

    2010-04-16

    Synchrotron X-ray powder diffraction was applied to the study of the effect of crystallite size on the crystal structure of ZrO{sub 2}-10 mol% Sc{sub 2}O{sub 3} nanopowders synthesized by a nitrate-lysine gel-combustion route. Nanopowders with different average crystallite sizes were obtained by calcination at several temperatures, ranging from 650 to 1200 {sup o}C. The metastable t''-form of the tetragonal phase, exhibiting a cubic unit cell and tetragonal P4{sub 2}/nmc spatial symmetry, was retained at room temperature in fine nanocrystalline powders, completely avoiding the presence of the stable rhombohedral {beta} phase. Differently, this phase was identified in samples calcined at high temperatures and its content increased with increasing crystallite size. The critical maximum crystallite size for the retention of the mestastable t''-form resulted of about 35 nm.

  4. Heavy and light ion irradiation damage effects in δ-phase Sc{sub 4}Hf{sub 3}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Wen, J. [School of Nuclear Science and Technology, Lanzhou University, Lanzhou, Gansu 730000 (China); Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Li, Y.H., E-mail: liyuhong@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, Lanzhou, Gansu 730000 (China); Tang, M.; Valdez, J.A.; Wang, Y.Q. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Patel, M.K.; Sickafus, K.E. [Department of Materials Science & Engineering, The University of Tennessee, Knoxville, TN 37996 (United States)

    2015-12-15

    Polycrystalline δ-phase Sc{sub 4}Hf{sub 3}O{sub 12} was irradiated with light and heavy ions to study the radiation stability of this compound. In order to explore the ion species spectrum effect, the irradiations were performed with 400 keV Ne{sup 2+} ions to fluences ranging from 1 × 10{sup 14} to 1 × 10{sup 15} ions/cm{sup 2}, 600 keV Kr{sup 3+} ions to fluences ranging from 5 × 10{sup 14} to 5 × 10{sup 15} ions/cm{sup 2}, and 6 MeV Xe{sup 26+} ions to fluences ranging from 2 × 10{sup 13} to 1 × 10{sup 15} ions/cm{sup 2}. Irradiated samples were characterized by various techniques including grazing incidence X-ray diffraction (GIXRD) and transmission electron microscopy (TEM). A complete phase transformation from ordered rhombohedral to disordered fluorite was observed by a fluence of 1 × 10{sup 15} ions/cm{sup 2} with 400 keV Ne{sup 2+} ions, equivalent to a peak ballistic damage dose of ∼0.33 displacements per atom (dpa). Meanwhile, the same transformation was also observed by 600 keV Kr{sup 3+} ions at the same fluence of 1 × 10{sup 15} ions/cm{sup 2}, which however corresponds to a peak ballistic damage dose of ∼2.2 dpa. Only a partial O-D transformation was observed for 6 MeV Xe{sup 26+} ions in the fluence range used. Experimental results indicated that the O-D transformation is observed under both electronic and nuclear stopping dominant irradiation regimes. It was also observed that light ions are more efficient than heavy ions in producing the retained defects that are presumably responsible for the O-D phase transformation. The O-D transformation mechanism is discussed in the context of anion oxygen Frenkel defects and cation antisite defects. We concluded that the irradiation induced O-D transformation is easier to occur in δ-phase compounds with partial order of cations than in that with fully disordered cation structures.

  5. Quaternary chalcogenides of the IVa metals with layered structures: preparation and crystal structures of TlCuTIVQ3 (T=Zr, Hf; Q=S, Se) and their relation to the Re3B structure type

    International Nuclear Information System (INIS)

    Klepp, K.O.; Gurtner, D.

    1996-01-01

    The new compounds TlCuT IV Q 3 (T = Zr, Hf; Q = S, Se) were prepared by reacting intimate mixtures of Tl 2 S or TlSe with stoichiometric amounts of the corresponding Group IV metal, Cu and the corresponding chalcogen at 870 . The four compounds are isostructural and crystallize in Cmcm, Z = 4 with a 3.726(4) A, b = 13.987(9) A, c = 9.783(4) A for TlCuZrS 3 ; a = 3.847(1) A, b 14.381(6) A, c = 10.150(1) A for TlCuZrSe 3 ; a = 3.694(1) A, b = 14.030(3) A, c = 9.750(3) A for TlCuHfS 3 ; and a = 3.831(1) A, b = 14.409(9) A, c = 10.124(2) A for TlCuHfSe 3 . Their crystal structures were determined from single crystal diffractometer data (Mo Kα radiation, ambient temperature) and refined to conventional R values of 0.016, 0.040, 0.019 and 0.031 respectively. An outstanding feature of their crystal structures is the formation of infinite anionic layers, 2 ∞ -[CuT IV Q 3 ] - parallel to (010), which are separated by Tl + cations. These layers are built up by edge sharing TQ 6 octahedra and distorted CuQ 4 tetrahedra. Average T-Q distances are anti d(Zr-S) = 2.586(1) A, anti d(Zr-Se) = 2.707(1) A, anti d(Hf-S) = 2.569(2) A and anti d(Hf-Se) = 2.694(1) A. Cu-chalcogen distances are anti d(Cu-S) = 2.318(2) A and anti d(Cu-Se) = 2.432(3) A respectively. The thallium ions are in bicapped trigonal prismatic chalcogen coordinations. The atomic arrangement corresponds to that of KCuZrS 3 ; based on the thallium-chalcogen partial structure it can be regarded as a filled variant of an anti-Re 3 B structure type. (orig.)

  6. Effects of Rh on the thermoelectric performance of the p-type Zr0.5Hf0.5Co1-xRhxSb0.99Sn0.01 half-Heusler alloys

    International Nuclear Information System (INIS)

    Maji, Pramathesh; Takas, Nathan J.; Misra, Dinesh K.; Gabrisch, Heike; Stokes, Kevin; Poudeu, Pierre F.P.

    2010-01-01

    We show that Rh substitution at the Co site in Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 (0≤x≤1) half-Heusler alloys strongly reduces the thermal conductivity with a simultaneous, significant improvement of the power factor of the materials. Thermoelectric properties of hot-pressed pellets of several compositions with various Rh concentrations were investigated in the temperature range from 300 to 775 K. The Rh 'free' composition shows n-type conduction, while Rh substitution at the Co site drives the system to p-type semiconducting behavior. The lattice thermal conductivity of Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 alloys rapidly decreased with increasing Rh concentration and lattice thermal conductivity as low as 3.7 W/m*K was obtained at 300 K for Zr 0.5 Hf 0.5 RhSb 0.99 Sn 0.01 . The drastic reduction of the lattice thermal conductivity is attributed to mass fluctuation induced by the Rh substitution at the Co site, as well as enhanced phonon scattering at grain boundaries due to the small grain size of the synthesized materials. - Graphical abstract: Significant reduction of the lattice thermal conductivity with increasing Rh concentration in the p-type Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 half-Heusler materials prepared by solid state reaction at 1173 K.

  7. Bipolar resistive switching properties of Hf{sub 0.5}Zr{sub 0.5}O{sub 2} thin film for flexible memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Zhipeng; Zhu, Jun; Zhou, Yunxia; Liu, Xingpeng [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronics Science and Technology of China, Chengdu (China)

    2018-01-15

    An Au/Ni/Hf{sub 0.5}Zr{sub 0.5}O{sub 2}/Au flexible memory device fabricated on a polyethylene terephthalate substrate was studied for flexible resistive random access memory applications. A typical bipolar resistive switching behavior was revealed with an OFF/ON ratio of approximately 15. The reproducibility and uniformity were investigated using 100 repetitive write/erase cycles. The retention property did not degrade for up to 5 x 10{sup 4} s, and the resistive switching properties did not degrade even under bending conditions, which indicated good mechanical flexibility. The current-voltage characteristics of the memory device show a Poole-Frenkel emission conduction mechanism in the high-voltage region in the high-resistance state, while in the low-voltage region, the Ohmic contact and space charge limit current responded to the low-resistance state and high-resistance state, respectively. Combined with the conductance mechanism, the resistive switching behavior is attributed to conductive filaments forming and rupturing due to oxygen vacancies migrating under the external driving electric field. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Report on the Fracture Analysis of HfB(sub 2)-SiC and ZrB(sub 2)-SiC Composites; TOPICAL

    International Nuclear Information System (INIS)

    MECHOLSKY, JR. JOHN J.

    2001-01-01

    Hafnium diboride-silicon carbide (HS) and zirconium diboride-silicon carbide (ZS) composites are potential materials for high temperature, thermal shock applications such as for components on re-entry vehicles. In order to establish material constants necessary for evaluation of in situ fracture, bars fractured in four-point flexure were examined using fractographic principles. The fracture toughness was determined from measurements of the critical crack sizes and the strength values and the crack branching constants were established to use in forensic fractography for future in-flight tests. The fracture toughnesses range from about 13 MPam(sup 1/2) at room temperature to about 6 MPam(sup 1/2) at 1400 C for ZrB(sub 2)-Sic composites and from about 13 MPam(sup 1/2) at room temperature to about 4 MPam(sup 1/2) at 1400 C for HfB(sub 2)-SiC composites. Thus, the toughnesses of either the HS or ZS composites have the potential for use in thermal shock applications. Processing and manufacturing defects limited the strength of the test bars. However, examination of the microstructure on the fracture surfaces shows that the processing of these composites can be improved. There is potential for high toughness composites with high strength to be used in thermal shock conditions if the processing and handling are controlled

  9. Greatly enhanced flux pinning properties of fluorine-free metal-organic decomposition YBCO films by co-addition of halogens (Cl, Br) and metals (Zr, Sn, Hf)

    Science.gov (United States)

    Motoki, Takanori; Ikeda, Shuhei; Nakamura, Shin-ichi; Honda, Genki; Nagaishi, Tatsuoki; Doi, Toshiya; Shimoyama, Jun-ichi

    2018-04-01

    Additive-free YBCO films, as well as those with halogen (X) added, metal (M) added and (X, M) co-added, have been prepared by the fluorine-free metal-organic decomposition method on SrTiO3(100) single crystalline substrates, where X = Cl, Br and M = Zr, Sn, Hf. It was revealed that the addition of both Cl and Br to the starting solution resulted in the generation of oxyhalide, Ba2Cu3O4 X 2, in the YBCO films, and that the oxyhalide was found to promote the bi-axial orientation of the YBCO crystals. By adding a decent amount of Cl or Br, highly textured YBCO films with high J c were reproducibly obtained, even when an impurity metal, M, was co-added, while the addition of M without X did not greatly improve J c owing to the poor bi-axial orientation of the YBCO crystals. Our results suggest that the addition of Br more effectively enhances J c than the addition of Cl. The pinning force density at 40 K in 4.8 T reached ˜55 GN m-3 with the co-addition of (Br, M). This value is much larger than that of the pure YBCO film, reaching ˜17 GN m-3.

  10. Low electron density of states at the boron site of TMB{sub 2} (TM = Ti, Zr, Hf, and Nb): a {sup 11}B NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Paluch, S.; Zogal, O.J.; Peshev, P

    2004-11-30

    The local density of states at the boron site in TMB{sub 2} (TM=Ti, Zr, Hf, and Nb) has been examined using the solid-state {sup 11}B NMR technique. The magic angle spinning (MAS) NMR spectra at room temperature and the spin-lattice relaxation rates have been measured as functions of temperature (30-293 K). The resonance line shifts are small and become more negative in the direction from 3d- to 5d-elements. The relaxation rates follow a linear law characteristic of hyperfine magnetic interaction with conduction electrons. With borides of IV group metals the data can be understood in terms of a very low s-electron density of states and absence of a p-character of the conduction electron wave function at the Fermi level while in the case of NbB{sub 2} a small partial p-electron density of states is assumed. Then, the results are in good agreement with the earlier theoretical prediction.

  11. Structural, mechanical and electronic properties of OsTM and TMOs{sub 2} (TM = Ti, Zr and Hf): First-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qi-Jun, E-mail: qijunliu@home.swjtu.edu.cn [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhang, Ning-Chao; Liu, Fu-Sheng [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Liu, Zheng-Tang [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China)

    2014-03-15

    Highlights: • OsTM and TMOs{sub 2} compounds have no superhard character. • These compounds are mechanically stable and behave in ductile manner. • OsTM has a mixture of covalent-ionic and metallic character. -- Abstract: The first-principles calculations have been performed to study the structural, elastic, mechanical and electronic properties of cubic OsTM (TM = Ti, Zr, and Hf) and hexagonal TMOs{sub 2} compounds. The calculated structural parameters are in good agreement with the available experimental data. To the best of our knowledge, the elastic constants of OsTM and TMOs{sub 2} compounds have been obtained for the first time. The calculated elastic and mechanical properties show that these compounds have no superhard character. These compounds are mechanically stable and behave in ductile manner. The electronic band structures and densities of states of OsTM and TMOs{sub 2} compounds have been analysed. OsTM has a mixture of covalent-ionic and metallic character, and TMOs{sub 2} has strong metallic nature.

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

    International Nuclear Information System (INIS)

    Bolvardi, H; Emmerlich, J; To Baben, M; Music, D; Schneider, J M; Von Appen, J; Dronskowski, R

    2013-01-01

    In this work the electronic structure and mechanical properties of the phases X 2 BC with X =Ti, V, Zr, Nb, Mo, Hf, Ta, W (Mo 2 BC-prototype) were studied using ab initio calculations. As the valence electron concentration (VEC) per atom is increased by substitution of the transition metal X, the six very strong bonds between the transition metal and the carbon shift to lower energies relative to the Fermi level, thereby increasing the bulk modulus to values of up to 350 GPa, which corresponds to 93% of the value reported for c-BN. Systems with higher VEC appear to be ductile as inferred from both the more positive Cauchy pressure and the larger value of the bulk to shear modulus ratio (B/G). The more ductile behavior is a result of the more delocalized interatomic interactions due to larger orbital overlap in smaller unit cells. The calculated phase stabilities show an increasing trend as the VEC is decreased. This rather unusual combination of high stiffness and moderate ductility renders X 2 BC compounds with X = Ta, Mo and W as promising candidates for protection of cutting and forming tools.

  13. Fabrication of Metal Nanoparticle Arrays in the ZrO2(Y, HfO2(Y, and GeOx Films by Magnetron Sputtering

    Directory of Open Access Journals (Sweden)

    Oleg Gorshkov

    2017-01-01

    Full Text Available The single sheet arrays of Au nanoparticles (NPs embedded into the ZrO2(Y, HfO2(Y, and GeOx (x≈2 films have been fabricated by the alternating deposition of the nanometer-thick dielectric and metal films using Magnetron Sputtering followed by annealing. The structure and optical properties of the NP arrays have been studied, subject to the fabrication technology parameters. The possibility of fabricating dense single sheet Au NP arrays in the matrices listed above with controlled NP sizes (within 1 to 3 nm and surface density has been demonstrated. A red shift of the plasmonic optical absorption peak in the optical transmission spectra of the nanocomposite films (in the wavelength band of 500 to 650 nm has been observed. The effect was attributed to the excitation of the collective surface plasmon-polaritons in the dense Au NP arrays. The nanocomposite films fabricated in the present study can find various applications in nanoelectronics (e.g., single electronics, nonvolatile memory devices, integrated optics, and plasmonics.

  14. Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W.

    2012-01-01

    We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

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

    International Nuclear Information System (INIS)

    Dahlqvist, Martin; Rosen, Johanna; Jansson, Ulf

    2015-01-01

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

  16. Phase stability predictions of Cr1−x, Mx)2(Al1−y, Ay)(C1−z, Xz) (M = Ti, Hf, Zr; A = Si, X = B)

    International Nuclear Information System (INIS)

    Shang, Lin; Music, Denis; Baben, Moritz to; Schneider, Jochen M

    2014-01-01

    The phase stability of (Cr 1−x , M x ) 2 (Al 1−y , A y )(C 1−z , X z ) (M = Ti, Hf, Zr; A = Si, X = B, space group P6 3 /mmc, prototype Cr 2 AlC) was studied using ab initio calculations. Based on the energy of mixing data as well as the density of states (DOS) analysis, (Cr 1−x , Zr x ) 2 AlC and (Cr 1−x , Hf x ) 2 AlC are predicted to be unstable, whereas (Cr 1−x , Ti x ) 2 AlC, Cr 2 (Al 1−y , Si y )C and Cr 2 Al(C 1−z , B z ) are predicted to be stable or metastable. The density of states analysis reveals that small differences in the position of the Fermi level alters the phase stability: (Cr 1−x , Zr x ) 2 AlC and (Cr 1−x , Hf x ) 2 AlC are predicted to be unstable or metastable as the Fermi level lies at a peak position. While the Cr dominated DOS for (Cr 1−x , Ti x ) 2 AlC plateaus at the Fermi level indicating stability. Implications of these results for the vapour phase condensation of self-healing Cr 2 AlC based materials are discussed. (paper)

  17. Low temperature plasma-enhanced ALD TiN ultrathin films for Hf{sub 0.5}Zr{sub 0.5}O{sub 2}-based ferroelectric MIM structures

    Energy Technology Data Exchange (ETDEWEB)

    Kozodaev, M.G.; Chernikova, A.G.; Markeev, A.M. [Moscow Institute of Physics and Technology, Institutsky Lane 9, Dolgoprudny, Moscow Region 141700 (Russian Federation); Lebedinskii, Y.Y. [Moscow Institute of Physics and Technology, Institutsky Lane 9, Dolgoprudny, Moscow Region 141700 (Russian Federation); National Research Nuclear University MEPhI, Moscow Engineering Physics Institute, Kashirskoye Shosse 31, 115409 Moscow (Russian Federation); Polyakov, S.N. [Technological Institute for Superhard and Novel Carbon Materials, Tsentral' naya str. 7a, 142190, Troitsk, Moscow (Russian Federation)

    2017-06-15

    In this work chemical and electrical properties of TiN films, grown by low temperature plasma-enhanced atomic layer deposition (PE-ALD) process from TiCl{sub 4} and NH{sub 3}, were investigated. Electrical resistivity as low as 250 μOhm x cm, as well as the lowest Cl impurity content, was achieved at 320 C. Full-ALD Hf{sub 0.5}Zr{sub 0.5}O{sub 2}-based metal-ferroelectric-metal capacitor with TiN electrodes was fabricated and its electrical properties were investigated. It was also shown that the proposed PE-ALD process provides an early film continuity, which was confirmed by ultrathin fully continuous film growth. Such ultrathin (3 nm) and fully continuous TiN film was also successfully implemented as the top electrode to Hf{sub 0.5}Zr{sub 0.5}O{sub 2}-based ferroelectric capacitor. Angle-resolved X-ray photoelectron spectroscopy (AR-XPS) was used for its thickness determination and a visible wake-up effect in underlying Hf{sub 0.5}Zr{sub 0.5}O{sub 2} layer was clearly observed. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Effect on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As interface (M = Hf, Zr) of trimethyl-aluminum pre-treatment during atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lamperti, A., E-mail: alessio.lamperti@mdm.imm.cnr.it [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Molle, A.; Cianci, E.; Wiemer, C.; Spiga, S. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Fanciulli, M. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Milano (Italy)

    2014-07-31

    For the fabrication of n-type metal–oxide–semiconductor field-effect transistor based on high mobility III–V compound semiconductors as channel materials, a major requirement is the integration of high quality gate oxides on top of the III–V substrates. A detailed knowledge of the interface between the oxide layer and the substrate is mandatory to assess the relevance of interdiffusion and related defects, which are detrimental. Here we grow high dielectric constant (k) Al:MO{sub 2} (M = Hf, Zr) gate materials on In{sub 0.53}Ga{sub 0.47}As substrates by atomic layer deposition, after an Al{sub 2}O{sub 3} pre-treatment based on trimethylaluminum is performed to properly passivate the substrate surface. Time of flight secondary ion mass spectrometry depth profiles reveal not only the film integrity and the chemical composition of the high-k oxide but also well elucidate the effect of the Al{sub 2}O{sub 3} pre-treatment on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As interface. Even though the chemical profile is well defined in both cases, a broader interface is detected for Al:ZrO{sub 2}. X-ray photoemission spectroscopy evidenced the presence of As{sup 3+} states in Al:ZrO{sub 2} only. Accordingly, preliminary capacitance–voltage measurements point out to a better field effect modulation in the capacitor incorporating Al:HfO{sub 2}. Based on the above considerations Al:HfO{sub 2} looks as a preferred candidate with respect to Al:ZrO{sub 2} for the integration on top of In{sub 0.53}Ga{sub 0.47}As substrates. - Highlights: • Al:MO{sub 2} (M = Hf, Zr) thin films are grown on In{sub 0.53}Ga{sub 0.47}As substrates. • Trimethylaluminum (TMA) pre-treatment properly passivates the substrate surface. • ToF-SIMS depth profiles reveal the chemical composition of the high-k films. • Depth profiles well elucidate the effect of TMA on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As substrates. • XPS evidences the presence of As{sup 3+} state in Al:ZrO{sub 2}/In{sub 0

  19. Epitaxial YBa2Cu3O7-x nanocomposite films and coated conductors from BaMO3 (M = Zr, Hf) colloidal solutions

    Science.gov (United States)

    Obradors, X.; Puig, T.; Li, Z.; Pop, C.; Mundet, B.; Chamorro, N.; Vallés, F.; Coll, M.; Ricart, S.; Vallejo, B.; Pino, F.; Palau, A.; Gázquez, J.; Ros, J.; Usoskin, A.

    2018-04-01

    Superconducting nanocomposites are the best material choice to address the performance required in power applications and magnets working under high magnetic fields. However, it is still challenging to sort out how to achieve the highest superconducting performance using attractive and competitive manufacturing processes. Colloidal solutions have been recently developed as a novel and very promising low cost route to manufacture nanocomposite coated conductors. Well dispersed and stabilized preformance nanoparticle solutions are first prepared with high concentrations and then mixed with the YBa2Cu3O7 metalorganic precursor solutions to generate colloidal solutions to grow the nanocomposite films. Here we demonstrate, for the first time, that non-reactive BaZrO3 and BaHfO3 perovskite preformed nanoparticles are suitable for growing high quality thin and thick films, and coated conductors with a homogeneous distribution and controlled particle size using this fabrication method. Additionally, we extend the nanoparticle content of the nanocomposites up to 20%-25% mol without any degradation of the superconducting properties. Thick nanocomposite films, up to 0.8 μm, have been prepared with a single deposition of low-fluorine solutions using an ink jet printing dispenser and we demonstrate that the preformed nanoparticles display only a very limited coarsening during the growth process and so high critical current densities J c (B) under high magnetic fields. These films show the highest critical currents achieved so far based on the colloidal solution approach, I c = 220 A/cm-w at 77 K and self-field, and they still have a high potential for further increase in the film thickness. Finally, we also show that nanocomposite YBa2Cu3O7-BaZrO3 coated conductors based on an alternating beam assisted deposited YSZ buffer layer on stainless steel metallic substrates can be developed based on these novel colloidal solutions. Non-reactive preformed oxide perovskite

  20. Ab initio study of the elastic properties of single and polycrystal TiO2, ZrO2 and HfO2 in the cotunnite structure

    International Nuclear Information System (INIS)

    Caravaca, M A; Mino, J C; Perez, V J; Casali, R A; Ponce, C A

    2009-01-01

    In this work, we study theoretically the elastic properties of the orthorhombic (Pnma) high-pressure phase of IV-B group oxides: titania, zirconia and hafnia. By means of the self-consistent SIESTA code, pseudopotentials, density functional theory in the LDA and GGA approximations, the total energies, hydrostatic pressures and stress tensor components are calculated. From the stress-strain relationships, in the linear regime, the elastic constants C ij are determined. Derived elastic constants, such as bulk, Young's and shear modulus, Poisson coefficient and brittle/ductile behavior are estimated with the polycrystalline approach, using Voigt-Reuss-Hill theories. We have found that C 11 , C 22 and C 33 elastic constants of hafnia and zirconia show increased strength with respect to the experimental values of the normal phase, P 2 1 /c. A similar situation applies to titania if these constants are compared with its normal phase, rutile. However, shear elastic constants C 44 , C 55 and C 66 are similar to the values found in the normal phase. This fact increases the compound anisotropy as well as its ductile behavior. The dependence of unit-cell volumes under hydrostatic pressures is also analyzed. P-V data, fitted to third-order Birch-Murnaghan equations of state, provide the bulk modulus B 0 and its pressure derivatives B' 0 . In this case, LDA estimations show good agreement with respect to recent measured bulk moduli of ZrO 2 and HfO 2 . Thermo-acoustic properties, e.g. the propagation speed of transverse, longitudinal elastic waves together with associated Debye temperatures, are also estimated.

  1. Efficient UV-emitting X-ray phosphors: octahedral Zr(PO4)6 luminescence centers in potassium hafnium-zirconium phosphates K2Hf1-xZrx(PO4)2 and KHf2(1-x)Zr2x(PO4)3

    International Nuclear Information System (INIS)

    Torardi, C.C.; Miao, C.R.; Li, J.

    2003-01-01

    Potassium hafnium-zirconium phosphates, K 2 Hf 1-x Zr x (PO 4 ) 2 and KHf 2(1-x) Zr 2x (PO 4 ) 3 , are broad-band UV-emitting phosphors. At room temperature, they have emission peak maxima at approximately 322 and 305 nm, respectively, under 30 kV peak molybdenum X-ray excitation. Both phosphors demonstrate luminescence efficiencies that make them up to ∼60% as bright as commercially available CaWO 4 Hi-Plus. The solid-state and flux synthesis conditions, and X-ray excited UV luminescence of these two phosphors are discussed. Even though the two compounds have different atomic structures, they contain zirconium in the same active luminescence environment as that found in highly efficient UV-emitting BaHf 1-x Zr x (PO 4 ) 2 . All the three materials have hafnium and zirconium in octahedral coordination via oxygen-atom corner sharing with six separate PO 4 tetrahedra. This octahedral Zr(PO 4 ) 6 moiety appears to be an important structural element for efficient X-ray excited luminescence, as are the edge-sharing octahedral TaO 6 chains for tantalate emission

  2. 6-Peroxo-6-zirconium crown and its hafnium analogue embedded in a triangular polyanion: [M6(O2)6(OH)6(gamma-SiW10O36)3]18- (M = Zr, Hf).

    Science.gov (United States)

    Bassil, Bassem S; Mal, Sib Sankar; Dickman, Michael H; Kortz, Ulrich; Oelrich, Holger; Walder, Lorenz

    2008-05-28

    We have synthesized and structurally characterized the unprecedented peroxo-zirconium(IV) containing [Zr6(O2)6(OH)6(gamma-SiW10O36)3]18- (1). Polyanion 1 comprises a cyclic 6-peroxo-6-zirconium core stabilized by three decatungstosilicate units. We have also prepared the isostructural hafnium(IV) analogue [Hf6(O2)6(OH)6(gamma-SiW10O36)3]18- (2). We investigated the acid/base and redox properties of 1 by UV-vis spectroscopy and electrochemistry studies. Polyanion 1 represents the first structurally characterized Zr-peroxo POM with side-on, bridging peroxo units. The simple, one-pot synthesis of 1 and 2 involving dropwise addition of aqueous hydrogen peroxide could represent a general procedure for incorporating peroxo groups into a large variety of transition metal and lanthanide containing POMs.

  3. Crystal structure and thermal expansion of the low- and high-temperature forms of BaMIV(PO4)2 compounds (M=Ti, Zr, Hf and Sn)

    International Nuclear Information System (INIS)

    Bregiroux, D.; Popa, K.; Jardin, R.; Raison, P.E.; Wallez, G.; Quarton, M.; Brunelli, M.; Ferrero, C.; Caciuffo, R.

    2009-01-01

    The crystal structure of β-BaZr(PO 4 ) 2 , archetype of the high-temperature forms of BaM(PO 4 ) 2 phosphates (with M=Ti, Zr, Hf and Sn), has been solved ab initio by Rietveld analysis from synchrotron X-ray powder diffraction data. The phase transition appears as a topotactic modification of the monoclinic (S.G. C2/m) lamellar α-structure into a trigonal one (S.G. P3-barm1) through a simple mechanism involving the unfolding of the [Zr(PO 4 ) 2 ] n 2- layers. The thermal expansion is very anisotropic (e.g., -4.1 i -6 K -1 in the case of α-BaZr(PO 4 ) 2 ) and quite different in the two forms, as a consequence of symmetry. It stems from a complex combination of several mechanisms, involving bridging oxygen rocking in M-O-P linkages, and 'bond thermal expansion'. - Graphical abstract: The layered high-temperature form of BaM(PO 4 ) 2 , only expands along the c-axis.

  4. Distribution of impurity states and charge transport in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuanfeng; Makongo, Julien P.A. [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Page, Alexander [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Sahoo, Pranati [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Uher, Ctirad [Department of Physics, University of Michigan, Ann Arbor, MI 48109 (United States); Stokes, Kevin [The Advanced Materials Research Institute, Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States); Poudeu, Pierre F.P., E-mail: ppoudeup@umich.edu [Laboratory for Emerging Energy and Electronic Materials, Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States)

    2016-02-15

    Energy filtering of charge carriers in a semiconducting matrix using atomically coherent nanostructures can lead to a significant improvement of the thermoelectric figure of merit of the resulting composite. In this work, several half-Heusler/full-Heusler (HH/FH) nanocomposites with general compositions Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} (0≤x≤0.15 and y=0.005, 0.01 and 0.025) were synthesized in order to investigate the behavior of extrinsic carriers at the HH/FH interfaces. Electronic transport data showed that energy filtering of carriers at the HH/FH interfaces in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} samples strongly depends on the doping level (y value) as well as the energy levels occupied by impurity states in the samples. For example, it was found that carrier filtering at HH/FH interfaces is negligible in Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 1−y}Sb{sub y} (y=0.01 and 0.025) composites where donor states originating from Sb dopant dominate electronic conduction. However, we observed a drastic decrease in the effective carrier density upon introduction of HH/FH interfaces for the mechanically alloyed Zr{sub 0.25}Hf{sub 0.75}Ni{sub 1+x}Sn{sub 0.995}Sb{sub 0.005} samples where donor states from unintentional Fe impurities contribute the largest fraction of conduction electrons. This work demonstrates the ability to synergistically integrate the concepts of doping and energy filtering through nanostructuring for the optimization of electronic transport in semiconductors. - Graphical abstract: Electronic transport in semiconducting half-Heusler (HH) matrices containing full-Heusler (FH) nanoinclusions strongly depends on the energy distribution of impurity states within the HH matrix with respect to the magnitude of the potential energy barrier at the HH/FH interfaces. - Highlights: • Coherent nanostructures enhanced thermoelectric behavior of half-Heusler alloys. • Nanostructures act as energy filter of

  5. Electrical Conductivity of 10 mol% Sc2O3-1 mol% M2O3-ZrO2 Ceramics

    DEFF Research Database (Denmark)

    Omar, Shobit; Bin Najib, Waqas; Chen, Weiwu

    2012-01-01

    follow similar conductivity trends with the maximum at 1In10ScSZ and 1Y10ScSZ, respectively. Around 475 degrees C, 1In10ScSZ but not other compositions exhibits an abrupt drop in the conductivity on cooling, due to the cubic to beta-phase transformation. At 600 degrees C, the activation energy...

  6. A comparative study of charge trapping in HfO{sub 2}/Al{sub 2}O{sub 3} and ZrO{sub 2}/Al{sub 2}O{sub 3} based multilayered metal/high-k/oxide/Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Spassov, D., E-mail: d_spassov@abv.bg [Institute of Solid State Physics, Bulgarian Academy of Sciences, Tzarigradsko Chaussee 72, Sofia 1784 (Bulgaria); Skeparovski, A. [Institute of Physics, Faculty of Natural Sciences and Mathematics, University “Ss. Cyril and Methodius”, Arhimedova 3, 1000 Skopje (Macedonia, The Former Yugoslav Republic of); Paskaleva, A. [Institute of Solid State Physics, Bulgarian Academy of Sciences, Tzarigradsko Chaussee 72, Sofia 1784 (Bulgaria); Novkovski, N. [Institute of Physics, Faculty of Natural Sciences and Mathematics, University “Ss. Cyril and Methodius”, Arhimedova 3, 1000 Skopje (Macedonia, The Former Yugoslav Republic of)

    2016-09-01

    The electrical properties of multilayered HfO{sub 2}/Al{sub 2}O{sub 3}/HfO{sub 2}/SiO{sub 2} and ZrO{sub 2}/Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} metal-oxide semiconductor capacitors were investigated in order to evaluate the possibility of their application in charge-trapping non-volatile memory devices. The stacks were deposited by reactive radiofrequency magnetron sputtering on Si substrates with thermal SiO{sub 2} with a thickness ranging from 2 to 5 nm. Both types of stacks show negative initial oxide charge and its density is higher for HfO{sub 2}-based structures. Memory window up to 6V at sweeping voltage range of ± 16V was obtained for HfO{sub 2}-based stacks. The hysteresis in these structures is mainly due to a trapping of electrons injected from the Si substrate. The charge-trapping properties of ZrO{sub 2}-based samples are compromised by the high leakage currents and the dielectric breakdown. The conduction through the capacitors at low applied voltages results from hopping of thermally excited electrons from one isolated state to another. The energy depth of the traps participating in the hopping conduction was determined as ~ 0.7 eV for the HfO{sub 2}-based layers and ~ 0.6 eV for ZrO{sub 2}-based ones, originating from negatively charged oxygen vacancies. At high electric fields, the current voltage characteristics were interpreted in terms of space charge limited currents, Fowler–Nordheim tunneling, Schottky emission, and Poole–Frenkel mechanism. The charge retention characteristics do not depend on the thickness of the tunnel SiO{sub 2}. - Highlights: • Sputtered HfO{sub 2}/Al{sub 2}O{sub 3}/HfO{sub 2} and ZrO{sub 2}/Al{sub 2}O{sub 3}/ZrO{sub 2} charge-trapping layers were studied. • HfO{sub 2}/Al{sub 2}O{sub 3}/HfO{sub 2} stacks show memory window up to 6 V and good retention times. • Negatively charged oxygen vacancies were identified as main defects in the stacks. • Electrical breakdown compromise the charge-trapping properties

  7. Electric field gradient at the Nb3M(M = Al, In, Si, Ge, Sn) and T3Al (T = Ti, Zr, Hf, V, Nb, Ta) alloys by perturbed angular correlation method

    International Nuclear Information System (INIS)

    Junqueira, Astrogildo de Carvalho

    1999-01-01

    The electric field gradient (efg) at the Nb site in the intermetallic compounds Nb 3 M (M = Al, Si, Ge, Sn) and at the T site in the intermetallic compounds T 3 Al (T = Ti, Zr, Hf, V, Nb, Ta) was measured by Perturbed Angular Correlation (PAC) method using the well known gamma-gamma cascade of 133-482 keV in 181 Ta from the β - decay of 181 Hf. The compounds were prepared by arc melting the constituent elements under argon atmosphere along with radioactive 181 Hf substituting approximately 0.1 atomic percent of Nb and T elements. The PAC measurements were carried out at 295 K for all compounds and the efg was obtained for each alloy. The results for the efg in the T 3 Al compounds showed a strong correlation with the number of conduction electrons, while for the Nbs M compounds the efg behavior is influenced mainly by the p electrons of the M elements. The so-called universal correlation between the electronic and lattice contribution for the efg in metals was not verified in this work for all studied compounds. Measurements of the quadrupole frequency in the range of 100 to 1210 K for the Nb 3 Al compound showed a linear behaviour with the temperature. Superconducting properties of this alloys may probably be related with this observed behaviour. The efg results are compared to those reported for other binary alloys and discussed with the help of ab-initio methods. (author)

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

    International Nuclear Information System (INIS)

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

    2013-01-01

    The effect of the transition metal valence electron concentration on the energy of formation, effective charge of B icosahedra, elastic properties, surface energy and fracture toughness was calculated using density functional theory for icosahedral transition metal borides of AlXB 14 (X=Sc, Ti, V, Cr, Y, Zr, Nb, Mo). Consistent with previous work on AlYB 14 (Kölpin et al 2009 J. Phys.: Condens. Matter 21 355006) it is shown that phase stability is generally dependent on the effective charge of the icosahedral transition metal borides. Also, ionization potential and electronegativity are identified as parameters affecting the effective charge of B icosahedra suitable for use in predicting the phase stability. Al 0.75 Y 0.75 B 14 , Al 0.75 Sc 0.75 B 14 and Al 0.75 Zr 0.75 B 14 have been identified as promising phases for application as protective coatings as they exhibit high phase stability and stiffness combined with a comparatively high fracture toughness. (paper)

  9. Effect of Pulse Laser Welding Parameters and Filler Metal on Microstructure and Mechanical Properties of Al-4.7Mg-0.32Mn-0.21Sc-0.1Zr Alloy

    Directory of Open Access Journals (Sweden)

    Irina Loginova

    2017-12-01

    Full Text Available The effect of pulse laser welding parameters and filler metal on microstructure and mechanical properties of the new heat-treatable, wieldable, cryogenic Al-4.7Mg-0.32Mn-0.21Sc-0.1Zr alloy were investigated. The optimum parameters of pulsed laser welding were found. They were 330–340 V in voltage, 0.2–0.25 mm in pulse overlap with 12 ms duration, and 2 mm/s speed and ramp-down pulse shape. Pulsed laser welding without and with Al-5Mg filler metal led to the formation of duplex (columnar and fine grains as-cast structures with hot cracks and gas porosity as defects in the weld zone. Using Al-5Ti-1B filler metal for welding led to the formation of the fine grain structure with an average grain size of 4 ± 0.2 µm and without any weld defects. The average concentration of Mg is 2.8%; Mn, 0.2%; Zr, 0.1%; Sc, 0.15%; and Ti, 2.1% were formed in the weld. The ultimate tensile strength (UTS of the welded alloy with AlTiB was 260 MPa, which was equal to the base metal in the as-cast condition. The UTS was increased by 60 MPa after annealing at 370 °C for 6 h that was 85% of UTS of the base alloy.

  10. Theoretical study of phase stability and elastic properties of T0.75Y0.75B14 (T  =  Sc, Ti, V, Y, Zr, Nb, Si)

    International Nuclear Information System (INIS)

    Hunold, Oliver; Music, Denis; Schneider, Jochen M

    2016-01-01

    In this study the phase stability, elastic properties, and plastic behaviour of icosahedral transition metal borides T 0.75 Y 0.75 B 14 (T  =  Sc, Ti, V, Y, Zr, Nb, Si) have been investigated using density functional theory. Phase stability critically depends on the charge transferred by T and Y to the B icosahedra. For the metal sublattice occupancy investigated here, the minimum energy of formation is identified at an effective B icosahedra charge of  −1.8  ±  0.1. This charge corridor encompasses the highest phase stability among all the reported icosahedral transition metal boride systems so far. This data provides guidance for future experimental efforts: from a wear-resistance point of view, Sc 0.75 Y 0.75 B 14 , Ti 0.75 Y 0.75 B 14 , and Zr 0.75 Y 0.75 B 14 exhibit a rather unique and attractive combination of large Young’s modulus values ranging from 488 to 514 GPa with the highest phase stability for icosahedral transition metals borides reported so far. (paper)

  11. Influence of some metal substitutions on the superconducting behaviour of molybdenum borocarbide. [Mo/sub 2-x/M/sub x/BC; M = Zr, Nb, Rh, Hf, Ta, or W

    Energy Technology Data Exchange (ETDEWEB)

    Lejay, P.; Chevalier, B.; Etourneau, J.; Hagenmuller, P. [Bordeaux-1 Univ., 33 - Talence (France)

    1981-11-15

    The superconducting properties of the Mosub(2-x)Msub(x)BC borocarbides (M equivalent to Zr, Nb, Rh, Hf, Ta, W) are reported. They have an Mo/sub 2/BC-type structure with orthorhombic symmetry and the space group Cmcm. Stoichiometric powder samples were prepared by arc melting. A large single crystal of Mo/sub 2/BC was obtained by a Czochralski-type method. The upper limit of x depends mainly on the size of the M atoms. A study of the magnetization as a function of field at different temperatures shows that all borocarbides are type II superconductors. Resistivity measurements give generally a critical temperature Tsub(cr) above 4.2 K. Tsub(cr) and the critical fields Hsub(c2) increase for rhodium substitution but decrease in other cases. For comparison the superconducting properties are discussed in terms of the valence electron concentration and the molar volume.

  12. Superconductivity of Ta{sub 34}Nb{sub 33}Hf{sub 8}Zr{sub 14}Ti{sub 11} high entropy alloy from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Jasiewicz, K.; Wiendlocha, B.; Korben, P.; Kaprzyk, S.; Tobola, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Al. Mickiewicza 30, 30-059, Krakow (Poland)

    2016-05-15

    The Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) is applied to study the first superconducting high entropy alloy (HEA) Ta{sub 34}Nb{sub 33}Hf{sub 8}Zr{sub 14}Ti{sub 11} (discovered in 2014 with T{sub c}=7.3 K), focusing on estimations of the electron-phonon coupling constant λ. The electronic part of λ has been calculated using the rigid muffin-tin approximation (RMTA), while the phonon part has been approximated using average atomic mass and experimental Debye temperature. The estimated λ=1.16 is close to the value determined from specific heat measurements, λ=0.98, and suggests rather strong electron-phonon coupling in this material. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Advancing Understanding of the +4 Metal Extractant Thenoyltrifluoroacetonate (TTA-); Synthesis and Structure of MIVTTA4 (MIV = Zr, Hf, Ce, Th, U, Np, Pu) and MIII(TTA)4- (MIII = Ce, Nd, Sm, Yb).

    Science.gov (United States)

    Cary, Samantha K; Livshits, Maksim; Cross, Justin N; Ferrier, Maryline G; Mocko, Veronika; Stein, Benjamin W; Kozimor, Stosh A; Scott, Brian L; Rack, Jeffrey J

    2018-04-02

    Thenoyltrifluoroacetone (HTTA)-based extractions represent popular methods for separating microscopic amounts of transuranic actinides (i.e., Np and Pu) from macroscopic actinide matrixes (e.g. bulk uranium). It is well-established that this procedure enables +4 actinides to be selectively removed from +3, + 5, and +6 f-elements. However, even highly skilled and well-trained researchers find this process complicated and (at times) unpredictable. It is difficult to improve the HTTA extraction-or find alternatives-because little is understood about why this separation works. Even the identities of the extracted species are unknown. In addressing this knowledge gap, we report here advances in fundamental understanding of the HTTA-based extraction. This effort included comparatively evaluating HTTA complexation with +4 and +3 metals (M IV = Zr, Hf, Ce, Th, U, Np, and Pu vs M III = Ce, Nd, Sm, and Yb). We observed +4 metals formed neutral complexes of the general formula M IV (TTA) 4 . Meanwhile, +3 metals formed anionic M III (TTA) 4 - species. Characterization of these M(TTA) 4 x- ( x = 0, 1) compounds by UV-vis-NIR, IR, 1 H and 19 F NMR, single-crystal X-ray diffraction, and X-ray absorption spectroscopy (both near-edge and extended fine structure) was critical for determining that Np IV (TTA) 4 and Pu IV (TTA) 4 were the primary species extracted by HTTA. Furthermore, this information lays the foundation to begin developing and understanding of why the HTTA extraction works so well. The data suggest that the solubility differences between M IV (TTA) 4 and M III (TTA) 4 - are likely a major contributor to the selectivity of HTTA extractions for +4 cations over +3 metals. Moreover, these results will enable future studies focused on explaining HTTA extractions preference for +4 cations, which increases from Np IV to Pu IV , Hf IV , and Zr IV .

  14. Nanostructured multielement (TiHfZrNbVTa)N coatings before and after implantation of N+ ions (10{sup 18} cm{sup −2}): Their structure and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Pogrebnjak, A.D., E-mail: alexp@i.ua [Sumy State University, Department of Nanoelectronics, 40007, R.-Korsakova 2, Sumy (Ukraine); Bondar, O.V., E-mail: oleksandr.v.bondar@gmail.com [Sumy State University, Department of Nanoelectronics, 40007, R.-Korsakova 2, Sumy (Ukraine); Borba, S.O. [Sumy State University, Department of Nanoelectronics, 40007, R.-Korsakova 2, Sumy (Ukraine); Abadias, G. [Institut Pprime, CNRS, Université de Poitiers, ISAE-ENSMA, F86962 Futuroscope Chasseneuil (France); Konarski, P. [Tele and Radio Research Institute, Ratuszowa 11, 03-450 Warsaw (Poland); Plotnikov, S.V. [D. Serikbaev East-Kazakhstan State Technical University, 070004, Ust-Kamenogorsk, 69 Protozanov St. (Kazakhstan); Beresnev, V.M. [V.N. Karazin Kharkiv National University, 61022, Svobody Sq. 4, Kharkiv (Ukraine); Kassenova, L.G. [Kazakh University of Economics, Finance and International Trade, St. Zhubanov 7, 010005 Astana (Kazakhstan); Drodziel, P. [Lublin University of Technology, Nadbystrzycka 36, 20-618 Lublin (Poland)

    2016-10-15

    Highlights: • (TiZrHfVNbTa)N coatings were deposited by vacuum–arc evaporation of a cathode. • Nanostructured coatings were investigated experimentally and by MD simulations. • Good correlation between experimental data and simulation results is observed. • Ion implantation formed amorphous, nanocrystalline and nanostructured layers. • Hardness changed from 12 GPa in the implanted layer to 38 GPa with the depth. - Abstract: 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{sup +} ions, 10{sup 18} cm{sup −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{sup +} implantation, which is expected to have beneficial effect on the wear properties.

  15. Performance and stability of (ZrO2)0.89(Y2O3)0.01(Sc2O3)0.10-LaCr0.85Cu0.10Ni0.05O3-δ oxygen transport membranes under conditions relevant for oxy-fuel combustion

    DEFF Research Database (Denmark)

    Pirou, Stéven; Bermudez, Jose M.; Tak Na, Beom

    2018-01-01

    Self-standing, planar dual-phase oxygen transport membranes consisting of 70 vol.% (ZrO2)0.89(Y2O3)0.01(Sc2O3)0.10 (10Sc1YSZ) and 30 vol.% LaCr0.85Cu0.10Ni0.05O3-δ (LCCN) were successfully developed and tested. The stability of the composite membrane was studied in simulated oxy-fuel power plant...

  16. Ionic conductivity ageing behaviour of 10 mol.% Sc2O3–1 mol.% CeO2–ZrO2 ceramics

    DEFF Research Database (Denmark)

    Omar, Shobit; Bonanos, Nikolaos

    2010-01-01

    The long-term ionic conductivity behaviour of samples of zirconia co-doped with 10 mol.% of Sc2O3 and 1 mol.% CeO2 is evaluated in oxidizing and reducing atmospheres at 600 °C. After 3,000 h, the sample kept in reducing atmospheres exhibits 20% loss in the ionic conductivity, while the sample kep...

  17. HF laser

    International Nuclear Information System (INIS)

    Suzuki, Kazuya; Iwasaki, Matae

    1977-01-01

    A review is made of the research and development of HF chemical laser and its related work. Many gaseous compounds are used as laser media successfully; reaction kinetics and technological problems are described. The hybrid chemical laser of HF-CO 2 system and the topics related to the isotope separation are also included. (auth.)

  18. Large ferroelectric polarization of TiN/Hf0.5Zr0.5O2/TiN capacitors due to stress-induced crystallization at low thermal budget

    Science.gov (United States)

    Kim, Si Joon; Narayan, Dushyant; Lee, Jae-Gil; Mohan, Jaidah; Lee, Joy S.; Lee, Jaebeom; Kim, Harrison S.; Byun, Young-Chul; Lucero, Antonio T.; Young, Chadwin D.; Summerfelt, Scott R.; San, Tamer; Colombo, Luigi; Kim, Jiyoung

    2017-12-01

    We report on atomic layer deposited Hf0.5Zr0.5O2 (HZO)-based capacitors which exhibit excellent ferroelectric (FE) characteristics featuring a large switching polarization (45 μC/cm2) and a low FE saturation voltage (˜1.5 V) as extracted from pulse write/read measurements. The large FE polarization in HZO is achieved by the formation of a non-centrosymmetric orthorhombic phase, which is enabled by the TiN top electrode (TE) having a thickness of at least 90 nm. The TiN films are deposited at room temperature and annealed at 400 °C in an inert environment for at least 1 min in a rapid thermal annealing system. The room-temperature deposited TiN TE acts as a tensile stressor on the HZO film during the annealing process. The stress-inducing TiN TE is shown to inhibit the formation of the monoclinic phase during HZO crystallization, forming an orthorhombic phase that generates a large FE polarization, even at low process temperatures.

  19. First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

    International Nuclear Information System (INIS)

    Ghosh, G.; Walle, A. van de; Asta, M.

    2008-01-01

    The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell methods. The 32-atom special quasirandom structure (SQS) supercells are employed to compute properties at 25, 50 and 75 at.% TM compositions, and 64-atom supercells have been employed to compute properties of alloys in the dilute concentration limit (one solute and 63 solvent atoms). In general, the energy of mixing (Δ m E) calculated by CE and dilute supercells agree very well. In the concentrated region, the Δ m E values calculated by CE and SQS methods also agree well in many cases; however, noteworthy discrepancies are found in some cases, which we argue originate from inherent elastic and dynamic instabilities of the relevant parent lattice structures. The importance of short-range order on the calculated values of Δ m E for hcp Al-Ti alloys is demonstrated. We also present calculated results for the composition dependence of the atomic volumes in random solid solutions with bcc, fcc and hcp structures. The properties of solid solutions reported here may be integrated within the CALPHAD formalism to develop reliable thermodynamic databases in order to facilitate: (i) calculations of stable and metastable phase diagrams of binary and multicomponent systems, (ii) alloy design, and (iii) processing of Al-TM-based alloys

  20. Ab initio study of the elastic properties of single and polycrystal TiO{sub 2}, ZrO{sub 2} and HfO{sub 2} in the cotunnite structure

    Energy Technology Data Exchange (ETDEWEB)

    Caravaca, M A; Mino, J C; Perez, V J [Departamento de Fisico-Quimica, Facultad de Ingenieria, UNNE, Avenida Las Heras 727, CP 3500, Resistencia (Argentina); Casali, R A; Ponce, C A [Departamento de Fisica, Facultad de Ciencias Exactas y Naturales y Agrimensura UNNE, Avenida Libertad 5600, CP 3400, Corrientes (Argentina)

    2009-01-07

    In this work, we study theoretically the elastic properties of the orthorhombic (Pnma) high-pressure phase of IV-B group oxides: titania, zirconia and hafnia. By means of the self-consistent SIESTA code, pseudopotentials, density functional theory in the LDA and GGA approximations, the total energies, hydrostatic pressures and stress tensor components are calculated. From the stress-strain relationships, in the linear regime, the elastic constants C{sub ij} are determined. Derived elastic constants, such as bulk, Young's and shear modulus, Poisson coefficient and brittle/ductile behavior are estimated with the polycrystalline approach, using Voigt-Reuss-Hill theories. We have found that C{sub 11}, C{sub 22} and C{sub 33} elastic constants of hafnia and zirconia show increased strength with respect to the experimental values of the normal phase, P 2{sub 1}/c. A similar situation applies to titania if these constants are compared with its normal phase, rutile. However, shear elastic constants C{sub 44}, C{sub 55} and C{sub 66} are similar to the values found in the normal phase. This fact increases the compound anisotropy as well as its ductile behavior. The dependence of unit-cell volumes under hydrostatic pressures is also analyzed. P-V data, fitted to third-order Birch-Murnaghan equations of state, provide the bulk modulus B{sub 0} and its pressure derivatives B'{sub 0}. In this case, LDA estimations show good agreement with respect to recent measured bulk moduli of ZrO{sub 2} and HfO{sub 2}. Thermo-acoustic properties, e.g. the propagation speed of transverse, longitudinal elastic waves together with associated Debye temperatures, are also estimated.

  1. Anion photoelectron spectroscopy of germanium and tin clusters containing a transition- or lanthanide-metal atom; MGe(n)- (n = 8-20) and MSn(n)- (n = 15-17) (M = Sc-V, Y-Nb, and Lu-Ta).

    Science.gov (United States)

    Atobe, Junko; Koyasu, Kiichirou; Furuse, Shunsuke; Nakajima, Atsushi

    2012-07-14

    The electronic properties of germanium and tin clusters containing a transition- or lanthanide-metal atom from group 3, 4, or 5, MGe(n) (M = Sc, Ti, V, Y, Zr, Nb, Lu, Hf, and Ta) and MSn(n) (M = Sc, Ti, Y. Zr, and Hf), were investigated by anion photoelectron spectroscopy at 213 nm. In the case of the group 3 elements Sc, Y, and Lu, the threshold energy of electron detachment of MGe(n)(-) exhibits local maxima at n = 10 and 16, while in the case of the group 4 elements Ti, Zr, and Hf, it exhibits a local minimum only at n = 16, associated with the presence of a small bump in the spectrum. A similar behavior is observed for MSn(n)(-) around n = 16, and these electronic characteristics of MGe(n) and MSn(n) are closely related to those of MSi(n). Compared to MSi(n), however, the larger cavity size of a Ge(n) cage allows metal atom encapsulation at a smaller size n. A cooperative effect between the electronic and geometric structures of clusters with a large cavity of Ge(16) or Sn(16) is discussed together with the results of experiments that probe their geometric stability via their reactivity to H(2)O adsorption.

  2. Determination of Nb and Zr in U-Nb-Zr alloys by ICP-AES

    International Nuclear Information System (INIS)

    Wang Cuiping; Dong Shizhe; Li Lin; He Meiying

    2003-01-01

    The U-Nb-Zr alloy sample is dissolved by HNO 3 , H 2 O 2 and HF, and the contents of Nb and Zr in the sample are determined on the JY-70 II type ICP-AES by using the internal standard synchronous dilution method. The range of determination is 1%-10% and 0.33%-3.33%, respectively for Nb and Zr. The relative standard deviation is better than 3.2% for Nb, and 2.5% for Zr. The method is rapid and convenient for determining Nb and Zr in U-Nb-Zr alloy sample

  3. Structure of Zr-Hf alloys

    International Nuclear Information System (INIS)

    Dobromyslov, A.V.; Taluts, N.I.

    1991-01-01

    Structure of quenched zirconium-hafnium alloy system containing up to 2.5 at. % was studied. Existence of three morphological forms of α-phase was presented: lath, twinned, laminated. Twinning plane in the system was identified. Formation model of packet structure of lath martensite was suggested

  4. Elastic properties of amorphous T0.75Y0.75B14 (T   =  Sc, Ti, V, Y, Zr, Nb) and the effect of O incorporation on bonding, density and elasticity (T ′  =  Ti, Zr)

    International Nuclear Information System (INIS)

    Hunold, Oliver; Keuter, Philipp; Bliem, Pascal; Music, Denis; Wittmers, Friederike; Ravensburg, Anna L; Schneider, Jochen M; Primetzhofer, Daniel

    2017-01-01

    We have systematically studied the effect of transition metal valence electron concentration (VEC) of amorphous T 0.75 Y 0.75 B 14 (a- T 0.75 Y 0.75 B 14 , T   =  Sc, Ti, V, Y, Zr, Nb) on the elastic properties, bonding, density and electronic structure using ab initio molecular dynamics. As the transition metal VEC is increased in both periods, the bulk modulus increases linearly with molar- and mass density. This trend can be understood by a concomitant decrease in cohesive energy. T ′  =  Ti and Zr were selected to validate the predicted data experimentally. A-Ti 0.74 Y 0.80 B 14 and a-Zr 0.75 Y 0.75 B 14 thin films were synthesized by high power pulsed magnetron sputtering. Chemical composition analysis revealed the presence of up to 5 at.% impurities, with O being the largest fraction. The measured Young’s modulus values for a-Ti 0.74 Y 0.80 B 14 (301  ±  8 GPa) and a-Zr 0.75 Y 0.75 B 14 (306  ±  9 GPa) are more than 20% smaller than the predicted ones. The influence of O incorporation on the elastic properties for these selected systems was theoretically studied, exemplarily in a-Ti 0.75 Y 0.75 B 12.75 O 1.25 . Based on ab initio data, we suggest that a-Ti 0.75 Y 0.75 B 14 exhibits a very dense B network, which is partly severed in a-Ti 0.75 Y 0.75 B 12.75 O 1.25 . Upon O incorporation, the average coordination number of B and the molar density decrease by 9% and 8%, respectively. Based on these data the more than 20% reduced Young’s modulus obtained experimentally for films containing impurities compared to the calculated Young’s modulus for a-Ti 0.75 Y 0.75 B 14 (without incorporated oxygen) can be rationalized. The presence of oxygen impurities disrupts the strong B network causing a concomitant decrease in molar density and Young’s modulus. Very good agreement between the measured and calculated Young’s modulus values is obtained if the presence of impurities is considered in the calculations. The

  5. Oxidation Resistance, Electrical and Thermal Conductivity, and Spectral Emittance of Fully Dense HfB2 and ZrB2 with SiC, TaSi2, and LaB6 Additives

    Science.gov (United States)

    2012-01-26

    of ZrB2-30 mol% SiC Electrically Heated Ribbons over 1-6 µm5 Spectral radiosities of direct electrically-heated ZrB2-30 mol% SiC specimens were mea...where RT (λ) is the spectral radiosity , h is Planck’s constant, k is Boltzmann’s constant, λ is wavelength, c is the speed of light, and T is the...Thus spectral radiosity measurements were performed at an angle normal to the ribbon surface. Specimens were loaded and removed from the chamber via an O

  6. Preparation and characterization of segmented p-type Ti0.3Zr0.35Hf0.35CoSb0.8Sn0.2/Ca3Co4O9

    DEFF Research Database (Denmark)

    Le, Thanh Hung; Han, Li; Stamate, Eugen

    with HH using an electrically conductive adhesive and brazing joining technique. The thermoelectric properties of the component materials as well as the interfacial resistance at high temperatures were characterized as a function of temperature up to 1100 K, and the results are discussed in details.......Misfit-layered cobaltite Ca3Co4O9+δ is considered as good p-type thermoelectric material in high temperature region (950 - 1100 K), while half-Heusler (HH) Ti0.3Zr0.35Hf0.35CoSb0.8Sn0.2 is high performance p-type material at temperatures below 950 K. In this work, oxide Ca3Co4O9+δ is segmented...

  7. Quaternary sulphides Cu2Zn(Ti, Zr, Hf)S4, the new type of photovoltaic materials%四元硫化物Cu2Zn(Ti,Zr,Hf)S4:一类新颖光伏材料∗

    Institute of Scientific and Technical Information of China (English)

    范巍; 曾雉

    2016-01-01

    采用第一性原理电子结构方法研究了四价过渡金属Ti, Zr和Hf替代Cu2ZnSnS4(CZTS)中Sn原子以及Se替代S原子所得到的四元硫族化合物的电子结构、光学性质和晶体结构的稳定性。实验上用Se替代CZTS中部分S得到的Cu2ZnSnS4−xSex(CZTSSe)作为光吸收材料,可以进一步提高光伏效率。我们计算表明用Se替代S后, CZTSe的价带顶明显下移,并接近Cu(In, Ga) Se2(CIGS)价带顶位置。与CZTSe的电子结构特征一样, Cu2Zn(Ti, Zr, Hf)S4四元硫化物的价带顶与母体材料CZTS相比也向低能移动,并接近CIGS价带顶位置。由于高光伏效率要求窗口材料ZnO、缓冲层材料和光吸收材料的价带顶和带隙满足一定的渐进的变化关系,因此可以预见用Cu2Zn(Ti, Zr, Hf)S4作光吸收材料可以有效地提高甚至接近CIGS的光伏效率。通过计算弹性常数和声子谱,以及有限温度下第一性原理分子动力学模拟,发现Cu2Zn(Ti, Zr, Hf)S4的结构稳定性与CZTS相近。进一步计算Cu2Zn(Ti, Zr, Hf)S4与不同缓冲层间和窗口材料与缓冲层间的反射系数,并讨论了ZnSe, In2S3, ZnS作为缓冲层材料和TiO2作为窗口材料对光伏效率可能的影响。%Based on the first-principles electronic-structure method, we study the electronic structures, optical properties, and the structural stabilities of the quaternary sulphides Cu2Zn(Ti, Zr, Hf) S4, which are obtained via substituting Ti, Zr, and Hf elements for Sn elements in Cu2ZnSnS4 (CTZS). It is well known that the photovoltaic efficiency of CZTS(Se) will be improved if the Se atoms partially substitute S atoms in CZTS. Our results show that the valence-band top of CZTSe shifts to lower energy and accesses to the valence-band top of Cu(InGa) Se2 (CIGS). Similar to CZTSe, the valence-band tops of Cu2Zn(Ti, Zr, Hf)S4 also shift to lower energies and access to the top of valence-band of CIGS. The high photovoltaic efficiency requires the smooth changes of the

  8. Large Magnetic Anisotropy in HfMnP

    Science.gov (United States)

    Parker, David; Lamichhane, Tej; Taufour, Valentin; Masters, Morgan; Thimmaiah, Srinivasa; Bud'Ko, Ser'gey; Canfield, Paul

    We present a theoretical and experimental study of two little-studied manganese phosphide ferromagnets, HfMnP and ZrMnP, with Curie temperatures above room temperature. We find an anisotropy field in HfMnP approaching 10 T - larger than that of the permanent magnet workhorse NdFeB magnets. From theory we determine the source of this anisotropy. Our results show the potential of 3d-element-based magnetic materials for magnetic applications.

  9. HF i dag

    DEFF Research Database (Denmark)

    Lindstrøm, Maria Duclos; Simonsen, Birgitte

    2008-01-01

    Notatet er lavet på baggrund af uddannelsesbiografiske dybdeinterviews med kursister på toårigt HF. Indenfor rammerne af en pilotundersøgelse identificerer notatet fire gennemgående profiler: De pragmatiske, de fagligt usikre, second chance-kursisterne, og de HF-kursister, som har HF som first...

  10. First results on the sorption behaviour of Rutherfordium from HCl/HF containing aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Schumann, D.; Nitsche, H. [Technische Univ. Dresden (Germany); Taut, S. [Forschungszentrum Rossendorf e.V. (FZR), Dresden (Germany); Jost, D.T.; Gaeggeler, H.W. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Yakushev, A.B.; Buklanov, G.V.; Domanov, V.P.; Lien Din Thi [Joint Inst. for Nuclear Research, Dubna (Russian Federation); Kubica, B.; Misiak, R.; Szeglowski, Z. [NINP Cracow (Poland)

    1997-09-01

    Rutherfordium shows strong sorption on the cation exchanger DOWEX 50x8 at a concentration of 0.1 M HCl/10{sup -2} M HF. This shows that Rf behaves under these conditions differently from Hf and Zr and more like Th under these conditions. (author) 1 fig., 5 refs.

  11. Multiple excitation modes in 163Hf

    DEFF Research Database (Denmark)

    Yadav, Rachita; Ma, J.C.; Marsh, J.C.

    2014-01-01

    Excited states of Hf163 were populated using the Zr94(Ge74,5n) reaction and the decay γ rays were measured with the Gammasphere spectrometer. Two previously known bands were extended to higher spins, and nine new bands were identified. In addition to bands associated with three- and five-quasiparticle...

  12. Study of the mechanical and magnetic properties of Fe{sub 61}Co{sub 10}Zr{sub 5-x}Hf{sub x}W{sub 2}Y{sub 2}B{sub 20} (x = 0 or 3) bulk amorphous and crystalline alloys

    Energy Technology Data Exchange (ETDEWEB)

    Nabialek, Marcin G. [Institute of Physics, Czestochowa University of Technology, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Szota, Michal [Institute of Materials Engineering, Czestochowa University of Technology, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Dospial, Marcin J.

    2010-05-15

    The microstructure, thermal stability, mechanical and magnetic properties of Fe{sub 61}Co{sub 10}Zr{sub 5-x}Hf{sub x}W{sub 2}Y{sub 2}B{sub 20} (where x = 0 or 3) bulk metallic glasses (BMG) and their crystalline equivalents were investigated. The crystalline materials were smelted on a copper mould using an electric arc; their amorphous equivalents were prepared using the induction suction casting method (ISC). All samples investigated were in the form of plates with dimensions of 10x10x0.5mm. From X-ray diffraction and Moessbauer spectroscopy, it was found that both investigated alloys prepared using this method have an amorphous structure. From magnetic measurements obtained by a vibrating sample magnetometer (VSM), it was shown that all measured samples displayed soft magnetic properties with relatively high saturation of the magnetization. The thermal stability and glass-forming ability (GFA) for investigated alloys were derived from differential scanning calorimetry (DSC) curves. The measurements of mechanical properties for amorphous alloys were found to be better than those for crystalline alloys with the same atomic composition. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Anodic Fabrication of Ti-Nb-Zr-O Nanotube Arrays

    Directory of Open Access Journals (Sweden)

    Qiang Liu

    2014-01-01

    Full Text Available Highly ordered Ti-Nb-Zr-O nanotube arrays were fabricated through pulse anodic oxidation of Ti-Nb-Zr alloy in 1 M NaH2PO4 containing 0.5 wt% HF electrolytes. The effect of anodization parameters and Zr content on the microstructure and composition of Ti-Nb-Zr-O nanotubes was investigated using a scanning electron microscope equipped with energy dispersive X-ray analysis. It was found that length of the Ti-Nb-Zr-O nanotubes increased with increase of Zr contents. The diameter and the length of Ti-Nb-Zr-O nanotubes could be controlled by pulse voltage. XRD analysis of Ti-Nb-Zr-O samples annealed at 500°C in air indicated that the (101 diffraction peaks shifted from 25.78° to 25.05° for annealed Ti-Nb-Zr-O samples with different Zr contents because of larger lattice parameter of Ti-Nb-Zr-O compared to that of undoped TiO2.

  14. Precipitation in cold-rolled Al–Sc–Zr and Al–Mn–Sc–Zr alloys prepared by powder metallurgy

    International Nuclear Information System (INIS)

    Vlach, M.; Stulikova, I.; Smola, B.; Kekule, T.; Kudrnova, H.; Danis, S.; Gemma, R.; Ocenasek, V.; Malek, J.; Tanprayoon, D.; Neubert, V.

    2013-01-01

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 °C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al 3 Sc and/or Al 3 (Sc,Zr) particles precipitated during extrusion at 350 °C in the alloys studied. Additional precipitation of the Al 3 Sc and/or Al 3 (Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 °C. The precipitation of the Al 6 Mn- and/or Al 6 (Mn,Fe) particles of a size ∼ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 °C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al 3 Sc particles formation and/or coarsening and that of the Al 6 Mn and/or Al 6 (Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al 3 Sc-phase and the Al 6 Mn-phase precipitation. - Highlights: • The Mn, Sc and Zr additions to Al totally suppresses recrystallization at 550 °C. • The Sc,Zr-containing particle precipitation is slightly facilitated by

  15. CERN: SC-33

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    On 22 April a forward-looking CERN also looked back for a day, when the 'SC-33' event reviewed the achievements of CERN's first machine, the 600 MeV SynchroCyclotron (SC), which closed down on 17 December after 33 years of valiant service

  16. CERN: SC-33

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1991-06-15

    On 22 April a forward-looking CERN also looked back for a day, when the 'SC-33' event reviewed the achievements of CERN's first machine, the 600 MeV SynchroCyclotron (SC), which closed down on 17 December after 33 years of valiant service.

  17. S-C Mylonites

    NARCIS (Netherlands)

    Lister, G.S.; Snoke, A.W.

    1984-01-01

    Two types of foliations are commonly developed in mylonites and mylonitic rocks: (a) S-surfaces related to the accumulation of finite strain and (b) C-surfaces related to displacement discontinuities or zones of relatively high shear strain. There are two types of S-C mylonites. Type I S-C

  18. HF-laser program

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    Sandia's HF-laser program for FY 77 and FY 78 was revised in June 1977 in order to meet several new program milestones. Research progress is reported on: objective of HF oscillator-amplifier studies using H 2 -F 2 gas mixtures; characteristics of large-volume oscillator using H 2 -F 2 mixtures; characteristics of large-volume amplifier using H 2 -F 2 mixtures; experimental results of the oscillator-amplifier study; objective of high-quality discharge-initiated SF 6 -HI oscillator-preamplifier system; pin-discharge-initiated oscillator and first beam expander; fast-discharge-initiated preamplifiers; reflecting beam expanders for oscillator-preamplifier system; beam quality of discharge-initiated oscillator-preamplifier system; short pulse option for discharge initiated SF 6 -HI system; H 2 -F 2 electron-beam-initiated oscillator-preamplifier system; chamber for HF-laser focusing experiments; computer study of parasitic oscillations in HF amplifiers and oscillators; kinetics upgrade of HF-laser code; repetitivey ignited flowing H 2 -F 2 -O 2 mixtures; spontaneous detonations in multiatmosphere H 2 -F 2 -O 2 mixtures; high-pressure H 2 -F 2 laser studies; and time sequenced energy extraction on the high xenon laser

  19. TiNi shape memory alloys: effects of the fabrication route, the oxygen content and the zirconium or hafnium additions on the metallurgical characteristics and the thermomechanical properties; Alliages a memoires de forme de base TiNi: influence du mode de fabrication de la teneur en oxygene et de l`ajout de Zr ou Hf sur les caracteristiques metallurgiques et les proprietes mecaniques

    Energy Technology Data Exchange (ETDEWEB)

    Olier, P.

    1996-12-31

    In order to promote the development of Ti-Ni shape memory alloys, we have studied the correlation between the fabrication route, the chemical composition (O{sub 2} content, Zr or Hf additions), the metallurgical characteristics and the thermomechanical properties. A conventional sintering does not allow to obtain a homogeneous compound of pure Ti{sub 50}Ni{sub 50} alloy because of the occurrence of Kirkendall porosities which act as a diffusion barrier. An original process including combustion synthesis and hot-extrusion was successfully developed. Resulting products exhibit a smaller grain size (15-20{mu}m) and an enhanced workability in comparison with products obtained by arc-melting and subsequent hot rolling. The presence of oxygen in equiatomic Ti-Ni alloy induces the oxide precipitation of Ti{sub 4}Ni{sub 2}O{sub x} type (with x {<=} 1). The precipitated particle fraction is proportional to the oxygen nominal content of the alloy. We show that the decrease of the transformation temperatures is correlated with the decrease of Ti in solid solution due to Ti{sub 4}Ni{sub 2}O precipitation. Moreover, we find that a fine and homogenous oxide dispersion is suitable to decrease the grain size during hot rolling and to enhance to the one way shape memory properties. An increase of the typical transformation temperatures is obtained through of Zr or Hf (in substitution to Ti). But, an increase of the hardness is measured, and consequently the workability of the ternary alloys becomes reduced. However, it is worthwhile to point out that a Ti{sub 38}Ni{sub 50}Hf{sub 12} product obtained by arc melting and hot extrusion is able to fully recover an apparent plastic strain of more than 4% during tensile tests performed under special loading conditions. Such as behaviour is of great interest with respect to potential applications in a temperature range higher that 100 deg. C. (author). 105 refs.

  20. Luminescence and scintillation properties of Rb2HfCl6 crystals

    International Nuclear Information System (INIS)

    Saeki, Keiichiro; Wakai, Yuki; Fujimoto, Yutaka; Koshimizu, Masanori; Asai, Keisuke; Yanagida, Takayuki; Nakauchi, Daisuke

    2016-01-01

    We developed a scintillator based on a Rb 2 HfCl 6 crystal as a ternary halide crystal with intrinsic luminescence. In the photoluminescence spectra, two emission bands are observed at 383 and 434 nm. The 434 nm emission band for Rb 2 HfCl 6 may be attributed to [HfCl 6 ] 2- complex ion or [ZrCl 6 ] 2- impurity, since the Rb 2 HfCl 6 contained Zr as impurity at 0.62 mol %. The radioluminescence band is observed at 420 nm and can be attributed to the same origin as the photoluminescence band at 434 nm. The scintillation decay-time constants were 0.84 and 5.4 μs. The light yield was estimated to be 24,100 photons/MeV. (author)

  1. HF/DF chemical labs

    International Nuclear Information System (INIS)

    Meinzer, R.A.

    1987-01-01

    This paper provides the essential details to understand and design HF/DF and related types of chemical lasers. The basic operation of the HF/DF chemical laser is described. The details of the excitation chemistry are presented and the pertinent laser physics is described. A description of the various laser components is given and the analytical models for the HF/DF chemical laser are discussed. A brief description of the chain reaction HF/DF chemical laser is offered

  2. Beta decomposition processes in Hf-rich Hf--Nb alloys

    International Nuclear Information System (INIS)

    Jones, W.B.; Taggart, R.; Polonis, D.H.

    1978-01-01

    The decomposition of the bcc β-phase by both athermal and isothermal processes has been investigated in Hf-rich Hf--Nb alloys. An all β-phase structure is retained in chill-cast alloys containing 30 to 50 at.% Nb (Cb), although electron diffraction streaking effects and the behavior of the temperature coefficient of electrical resistivity indicate the presence of a bcc lattice instability similar to that reported in solute lean Ti and Zr alloys. Aging a Hf 0 . 65 Nb 0 . 35 alloy at 400 and 600 0 C resulted in the direct precipitation of a fine dispersion of α-phase needles; this morphology differs from the discs of transition α (α/sub t/) which Carpenter et al observed in Nb-rich Nb 0 . 68 Hf 0 . 32 . During continued aging, the needles grow selectively to form colonies or groups of needles in which both the individual needles and the groups of needles have major axes aligned along (110)/sub β/ type directions. The initial α-phase particles exhibit the Burgers orientation relationship with the parent matrix; continued aging changes the electron diffraction patterns in a way that is similar to that observed in aged Ti--Mo and Ti--Mo--Al alloys where they were attributed to the α-phase having a different crystallographic relationship to the β-phase (Type 2 α-phase). The observed changes in the electron diffraction patterns of aged Hf 0 . 65 Nb 0 . 35 cannot be described as resulting from strained Burgers α-phase

  3. DiSC-OPAL

    DEFF Research Database (Denmark)

    Kemal, Mohammed Seifu; Pedersen, Rasmus; Iov, Florin

    2017-01-01

    of such systems. The simulation tool should be able to model Electrical Grid and flexible assets with different time scales and resolution levels fulfilling specific functionalities. In this paper DiSC-OPAL, an OPAL-RT compatible toolbox library for modelling of assets is presented. The library is suitable...

  4. SC tuning fork

    CERN Document Server

    The tuning fork used to modulate the radiofrequency system of the synchro cyclotron (SC) from 1957 to 1973. This piece is an unused spare part. The SC was the 1st accelerator built at CERN. It operated from August 1957 until it was closed down at the end of 1990. In the SC the magnetic field did not change with time, and the particles were accelerated in successive pulses by a radiofrequency voltage of some 20kV which varied in frequency as they spiraled outwards towards the extraction radius. The frequency varied from 30MHz to about 17Mz in each pulse. The tuning fork vibrated at 55MHz in vacuum in an enclosure which formed a variable capacitor in the tuning circuit of the RF system, allowing the RF to vary over the appropriate range to accelerate protons from the centre of the macine up to 600Mev at extraction radius. In operation the tips of the tuning fork blade had an amplitude of movement of over 1 cm. The SC accelerator underwent extensive improvements from 1973 to 1975, including the installation of a...

  5. Zr-92(d,p)Zr-93 and Zr-92(d,t)Zr-91

    Science.gov (United States)

    Baron, N.; Fink, C. L.; Christensen, P. R.; Nickels, J.; Torsteinsen, T.

    1972-01-01

    The structures of Zr-93 and Zr-91 were studied by the stripping reaction Zr-92(d,p)Zr-93 and the pick-up reaction Zr-92(d,t)Zr-91 using 13 MeV incident deuterons. The reaction product particles were detected by counter telescope. Typical spectra from the reactions were analyzed by a nonlinear least squares peak fitting program which included a background search. Spin and parity assignments to observed excited levels were made by comparing experimental angular distributions with distorted wave Born approximation calculations.

  6. Development in corrosion resistance by microstructural refinement in Zr-16 SS 304 alloy using suction casting technique

    Energy Technology Data Exchange (ETDEWEB)

    Das, N., E-mail: nirupamd@barc.gov.in; Sengupta, P.; Abraham, G.; Arya, A.; Kain, V.; Dey, G.K.

    2016-08-15

    Highlights: • Grain refinement was made in Zr–16 wt.% SS alloy while prepared by suction casting process. • Distribution of Laves phase, e.g., Zr{sub 2}(Fe, Cr) was raised in suction cast (SC) Zr–16 wt.% SS. • Corrosion resistance was improved in SC alloy compared to that of arc-melt-cast alloy. • Grain refinement in SC alloy assisted for an increase in its corrosion resistance. - Abstract: Zirconium (Zr)-stainless steel (SS) hybrid alloys are being considered as baseline alloys for developing metallic-waste-form (MWF) with the motivation of disposing of Zr and SS base nuclear metallic wastes. Zr–16 wt.% SS, a MWF alloy optimized from previous studies, exhibit significant grain refinement and changes in phase assemblages (soft phase: Zr{sub 2}(Fe, Cr)/α-Zr vs. hard phase: Zr{sub 3}(Fe, Ni)) when prepared by suction casting (SC) technique in comparison to arc-cast-melt (AMC) route. Variation in Cr-distribution among different phases are found to be low in suction cast alloy, which along with grain refinement restricted Cr-depletion at the Zr{sub 2}(Fe, Cr)/Zr interfaces, prone to localized attack. Hence, SC alloy, compared to AMC alloy, showed lower current density, higher potential at the breakdown of passivity and higher corrosion potential during polarization experiments (carried out under possible geological repository environments, viz., pH 8, 5 and 1) indicating its superior corrosion resistance.

  7. Raman spectroscopy used for structural investigations of anodically formed ZrO2

    International Nuclear Information System (INIS)

    Koneska, Zagorka; Arsova, Irena

    2003-01-01

    The structure of the oxide formed on Zr(99% + Hf) with anodic oxidation at different potentials in 1 mol/dm 3 H 3 PO 4 and 2 mol/dm 3 KOH solutions were investigated using Raman spectroscopy. Normally the anodic oxides of Zr form only crystals. Under certain circumstances, amorphous anodic ZrO 2 can be observed. Amorphous phase is observed for the anodically formed zirconium oxides in H 3 PO 4 . The oxide formed in KOH at potential of 80 V, where sparks appears on the Zr electrode showed crystalline structure. (Original)

  8. HF-laser program

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    The HF laser is an attractive candidate driver for a large-system ICF scientific demonstration facility, for an ICF experimental power reactor and for a commercial laser--fusion power reactor. Previous accomplishments of the program have included demonstrations of high efficiency and high energy capability, efficient energy extraction from HF amplifiers, good beam quality and focusability, and short-pulse generation and amplification. In the reporting period, beam quality has been determined to be near-diffraction limited for a short pulsewidth (6 ns to 25 ns) oscillator-amplifier chain, suppression of amplified spontaneous emission has been demonstrated on an individual spectral line, high-pressure characteristics have been determined for the Phoenix I amplifier, and detailed comparisions between the kinetic code and experiments have been made. Details of two major upcoming experiments are also included. The first is energy extraction and beam quality measurements on the Phoenix I amplifier operating under saturated output power conditions. The second experiment, using a newly designed amplifier (Phoenix II), is designed to demonstrate the concept of angular-multiplexing: a pulse width-compression scheme

  9. Pulsed inductive HF laser

    Energy Technology Data Exchange (ETDEWEB)

    Razhev, A M; Kargapol' tsev, E S [Institute of Laser Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk (Russian Federation); Churkin, D S; Demchuk, S V [Novosibirsk State University, Novosibirsk (Russian Federation)

    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)

  10. HF-DLLME

    OpenAIRE

    Simão, Vanessa

    2015-01-01

    Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2015. Neste trabalho foi proposto, pela primeira vez, a combinação simultânea das técnicas de microextração em fase líquida suportada em fibra oca (HF-LPME) e microextração líquido-líquido dispersiva (DLLME) para aplicação em amostras líquidas. Dois estudos foram desenvolvidos utilizando a metodologia proposta, a qua...

  11. High energy HF pulsed lasers

    International Nuclear Information System (INIS)

    Patterson, E.L.; Gerber, R.A.

    1976-01-01

    Recent experiments show that pulsed HF lasers are capable of producing high energy with good efficiency. Preliminary experiments show that the laser radiation from the high-gain medium can be controlled with a low-power probe laser beam or with low-level feedback. These results indicate that the HF laser may have potential for second-generation laser fusion experiments

  12. Effect of Nb aggregates on Zr2Fe

    International Nuclear Information System (INIS)

    Ramos, Cinthia P.

    2001-01-01

    The binary Zr-Fe phase diagram revision, performed by Arias et al., accepted the intermetallic Zr 2 Fe crystalline structure as tetragonal and determined that the presence of a third element like oxygen, nitrogen or carbon, stabilizes a cubic phase. Nevitt et al. studying Ti, Zr and Hf alloys with transition metals as second or third element and ternary systems with oxygen as third element, systematized the occurrence of phases with a cubic Ti 2 Ni type crystalline structure. From previous studies in the Zr-Nb-Fe system, it is an agreed fact that Nb presence in the Zr 2 Fe intermetallic stabilizes a cubic Ti 2 Ni type phase. The purpose of the present work is to determine the stability range of the Zr 2 Fe intermetallic with Nb contents, the existence range of the ternary cubic Ti 2 Ni type phase (designated Λ) and the corresponding two-phase region. We analyze as cast and heat treated (800 C degrees) Zr-Nb-Fe alloys with 35 atomic % Fe and Nb contents between 0.5 and 15 atomic %. The determination and characterization of the phases is made by optical and scanning electron microscopy, X-ray diffraction microprobe analysis and Moessbauer Spectroscopy. Joining these techniques together it is found, among many other things, that the Zr 2 Fe phase would accept up to around 0.5 atomic % Nb in solution and that the two-phase region Zr 2 Fe+Λ would be stable in the (0.5 - 3.5) Nb atomic % range. It is proposed as well a 800 C degrees section of the ternary (Zr-Nb-Fe) in the studied region. (author) [es

  13. Thermal Conductivity and Water Vapor Stability of Ceramic HfO2-Based Coating Materials

    Science.gov (United States)

    Zhu, Dong-Ming; Fox, Dennis S.; Bansal, Narottam P.; Miller, Robert A.

    2004-01-01

    HfO2-Y2O3 and La2Zr2O7 are candidate thermal/environmental barrier coating materials for gas turbine ceramic matrix composite (CMC) combustor liner applications because of their relatively low thermal conductivity and high temperature capability. In this paper, thermal conductivity and high temperature phase stability of plasma-sprayed coatings and/or hot-pressed HfO2-5mol%Y2O3, HfO2-15mol%Y2O3 and La2Zr2O7 were evaluated at temperatures up to 1700 C using a steady-state laser heat-flux technique. Sintering behavior of the plasma-sprayed coatings was determined by monitoring the thermal conductivity increases during a 20-hour test period at various temperatures. Durability and failure mechanisms of the HfO2-Y2O3 and La2Zr2O7 coatings on mullite/SiC Hexoloy or CMC substrates were investigated at 1650 C under thermal gradient cyclic conditions. Coating design and testing issues for the 1650 C thermal/environmental barrier coating applications will also be discussed.

  14. New separation method of no-carrier-added {sup 47}Sc from titanium targets

    Energy Technology Data Exchange (ETDEWEB)

    Bartos, B.; Majkowska, A.; Kasperek, A.; Krajewski, S.; Bilewicz, A. [Institute of Nuclear Chemistry and Technology, Warszawa (Poland). Nuclear Chemistry and Radiochemistry Center

    2012-07-01

    Radionuclides with medium energy beta emission and a several day half-life are attractive candidates for radioimmunotherapy. Among the most promising in this category is {sup 47}Sc produced by fast neutron irradiation (E{sub n} > 1 MeV) of titanium target with high energy neutrons in {sup 47}Ti(n,p){sup 47}Sc nuclear reaction. In the previously reported production scheme the dissolution of the TiO{sub 2} target in hot concentrated H{sub 2}SO{sub 4} and evaporation of the resulting solution were the most time-consuming steps. The present paper describes new, simple and efficient production method of {sup 47}Sc, where the slow dissolution of the target is avoided. After irradiation in fast neutron flux {sup 47}TiO{sub 2} and Li{sub 2}{sup 47}TiF{sub 6} targets were dissolved in HF solutions. Next {sup 47}Sc was separated from the target using anion exchange resin Dowex 1 with 0.4 M HF + 0.06 M HNO{sub 3} solution as eluent. The eluted {sup 47}Sc was adsorbed on cation exchange resin and eluted with 0.5 M of ammonium acetate. The 47Sc separation yield in the proposed procedure is about 90% with the separation time less than 2 h. The obtained no-carrier-added {sup 47}Sc was used to label DOTATATE conjugate with 96% labeling yield. (orig.)

  15. Effect of Sc addition on microstructure and mechanical properties of 1460 alloy

    Directory of Open Access Journals (Sweden)

    Juan Ma

    2014-02-01

    Full Text Available The effect of minor addition of Sc on microstructure, age hardening behavior, tensile properties and fracture morphology of 1460 alloy have been studied. It is found that Sc content increase from 0.11 wt% to 0.22 wt% is favorable for grain refinement in as-cast alloy but results in a coarsening of Cu-rich particles. The alloy with 0.11 wt% Sc exhibits enhanced mechanical properties and age hardening effect. Transmission electron microscopy (TEM investigations on the alloy with 0.11 wt% Sc have suggested that a large amount of Al3(Sc, Zr particles precipitated at the earlier aging may inhibit recrystallization effectively.

  16. Lu-Hf isotope systematics of fossil biogenic apatite and their effects on geochronology

    Science.gov (United States)

    Herwartz, Daniel; Münker, Carsten; Tütken, Thomas; Hoffmann, J. Elis; Wittke, Andreas; Barbier, Bruno

    2013-01-01

    Reliable methods for direct dating of biogenic apatite from pre-Pleistocene fossils are currently not available, and recent attempts using the Lu-Hf decay system yielded highly inaccurate ages for both bones and teeth. The geological processes accounting for this poor accuracy of Lu-Hf chronometry are not yet understood. Here we explore Lu-Hf systematics in fossil bones and teeth in detail, by applying five different sample digestion techniques that are tested on bones and composites of bone and sediment. Our current dataset implies that dissolution methods only slightly affect the resulting Lu-Hf ages, while clear differences between the individual digestion techniques became apparent for element concentrations. By analysing the insoluble leftovers from incomplete sample dissolution, four main reservoirs of Hf in fossil bones were identified: (1) a radiogenic end-member associated with apatite; (2) an unradiogenic end-member represented by the authigenic minerals or the embedding sediment; (3) a highly unradiogenic end-member that can be attributed to detrital zircon; and (4) a moderately soluble phase (probably a Zr(Hf)-phosphate) that yielded very low Lu/Hf but a highly radiogenic Hf isotope composition at the same time. This Zr(Hf)-phase must have been precipitated within the fossil bone sample at a late stage of burial history, thereby incorporating radiogenic 176Hf released from apatite surfaces over geological timescales. A second focus of our study is the effect of different sediment matrices and of crystal size on the preservation of pristine Lu-Hf isotope compositions in bioapatite. Because near-depositional Lu-Hf ages of phosphate fossils have previously been reported for the London Clay (England) and a calcareous marl from Tendaguru (Tanzania), we herein investigate specimens fossilised in carbonate matrices (calcareous marl from Oker, Germany; carbonate concretions from the Santana Formation, Brazil; carbonate from the Eifel, Germany) and argillaceous

  17. Hf på VUC

    DEFF Research Database (Denmark)

    Pless, Mette; Hansen, Niels-Henrik Møller

    . Konkret har forskningsprojektet 3 mål: At afdække hf-kursisternes tidligere uddannelsesforløb og -erfaringer, før de starter på hf på VUC.At afdække, hvordan mødet med uddannelsens studiemiljø opleves af kursisterne, og ikke mindst kursisternes oplevelse af undervisningsformer, lærere mm.At afdække, hvad...

  18. Pressure-induced phase transformation of HfO2

    International Nuclear Information System (INIS)

    Arashi, H.

    1992-01-01

    This paper reports on the pressure dependence of the Raman spectra of HfO 2 that was measured by a micro-Raman technique using a single-crystal specimen in the pressure range from 0 to 10 GPa at room temperature. The symmetry assignment of Raman bands of the monoclinic phase was experimentally accomplished from the polarization measurements for the single crystal. With increased pressure, a phase transformation for the monoclinic phase took place at 4.3 ± 0.3 GPa. Nineteen Raman bands were observed for the high-pressure phase. The spectral structure of the Raman bands for the high-pressure phase was similar with those reported previously for ZrO 2 . The space group for the high pressure phase of HfO 2 was determined as Pbcm, which was the same as that of the high-pressure phase for ZrO 2 on the basis of the number and the spectral structure of the Raman bands

  19. Preparation of HfC single crystals by a floating zone technique

    International Nuclear Information System (INIS)

    Otani, S.; Tanaka, T.

    1981-01-01

    HfC single crystals have been prepared using a floating zone technique by controlling the compositions of the initial molten zone and the feed rod. The obtained crystal rods were 6 cm long and 0.9 cm in diameter. The various parts of the crystal rods have nearly constant compositions (C/Hf(ZR) = 0.956-0.977), and do not contain any free carbon. The impurities in the crystal, evaporation product, and starting material were examined by fluorescence X-ray spectroscopy. The refining effect due to evaporation was discussed. (orig.)

  20. Atom probe tomographic studies of precipitation in Al-0.1Zr-0.1Ti (at.%) alloys.

    Science.gov (United States)

    Knipling, Keith E; Dunand, David C; Seidman, David N

    2007-12-01

    Atom probe tomography was utilized to measure directly the chemical compositions of Al(3)(Zr(1)-(x)Ti(x)) precipitates with a metastable L1(2) structure formed in Al-0.1Zr-0.1Ti (at.%) alloys upon aging at 375 degrees C or 425 degrees C. The alloys exhibit an inhomogeneous distribution of Al(3)(Zr(1)-(x)Ti(x)) precipitates, as a result of a nonuniform dendritic distribution of solute atoms after casting. At these aging temperatures, the Zr:Ti atomic ratio in the precipitates is about 10 and 5, respectively, indicating that Ti remains mainly in solid solution rather than partitioning to the Al(3)(Zr(1)-(x)Ti(x)) precipitates. This is interpreted as being due to the very small diffusivity of Ti in alpha-Al, consistent with prior studies on Al-Sc-Ti and Al-Sc-Zr alloys, where the slower diffusing Zr and Ti atoms make up a small fraction of the Al(3)(Zr(1)-(x)Ti(x)) precipitates. Unlike those alloys, however, the present Al-Zr-Ti alloys exhibit no interfacial segregation of Ti at the matrix/precipitate heterophase interface, a result that may be affected by a significant disparity in the evaporation fields of the alpha-Al matrix and Al(3)(Zr(1)-(x)Ti(x)) precipitates and/or a lack of local thermodynamic equilibrium at the interface.

  1. X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

    International Nuclear Information System (INIS)

    Shcherba, I.D.; Kotur, B.Ya.

    1990-01-01

    In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

  2. Hf-Nd isotope decoupling in the oceanic lithosphere: constraints from spinel peridotites from Oahu, Hawaii

    Science.gov (United States)

    Bizimis, Michael; Sen, Gautam; Salters, Vincent J. M.

    2004-01-01

    We present a detailed geochemical investigation on the Hf, Nd and Sr isotope compositions and trace and major element contents of clinopyroxene mineral separates from spinel lherzolite xenoliths from the island of Oahu, Hawaii. These peridotites are believed to represent the depleted oceanic lithosphere beneath Oahu, which is a residue of a MORB-related melting event some 80-100 Ma ago at a mid-ocean ridge. Clinopyroxenes from peridotites from the Salt Lake Crater (SLC) show a large range of Hf isotopic compositions, from ɛHf=12.2 (similar to the Honolulu volcanics series) to extremely radiogenic, ɛHf=65, at nearly constant 143Nd/ 144Nd ratios ( ɛNd=7-8). None of these samples show any isotopic evidence for interaction with Koolau-type melts. A single xenolith from the Pali vent is the only sample with Hf and Nd isotopic compositions that falls within the MORB field. The Hf isotopes correlate positively with the degree of depletion in the clinopyroxene (e.g. increasing Mg#, Cr#, decreasing Ti and heavy REE contents), but also with increasing Zr and Hf depletions relative to the adjacent REE in a compatibility diagram. The Lu/Hf isotope systematics of the SLC clinopyroxenes define apparent ages of 500 Ma or older and these compositions cannot be explained by mixing between any type of Hawaiian melts and the depleted Pacific lithosphere. Metasomatism of an ancient (e.g. 1 Ga or older) depleted peridotite protolith can, in principle, explain these apparent ages and the Nd-Hf isotope decoupling, but requires that the most depleted samples were subject to the least amount of metasomatism. Alternatively, the combined isotope, trace and major element compositions of these clinopyroxenes are best described by metasomatism of the 80-100 Ma depleted oceanic lithosphere by melts products of extensive mantle-melt interaction between Honolulu Volcanics-type melts and the depleted lithosphere.

  3. HF Interference, Procedures and Tools (Interferences HF, procedures et outils)

    Science.gov (United States)

    2007-06-01

    the actual ambient noise floor situation. Besides these HF radio links, special units such as crisis reaction forces are using low power radios for...the origin point on the ground. For ease of arithmetic and typography , the latter option is preferable. The dipole-modelled PLT is located at x = H1

  4. Lattice vibrational properties of transition metal carbides (TiC, ZrC

    Indian Academy of Sciences (India)

    Lattice vibrational properties of transition metal carbides (TiC, ZrC and HfC) have been presented by including the effects of free-carrier doping and three-body interactions in the rigid shell model. The short-range overlap repulsion is operative up to the second neighbour ions. An excellent agreement has been obtained ...

  5. Monitor of SC beam profiles

    CERN Document Server

    CERN PhotoLab

    1977-01-01

    A high-resolution secondary emission grid for the measurement of SC beam profiles. Modern techniques of metal-ceramic bonding, developed for micro-electronics, have been used in its construction. (See Annual Report 1977 p. 105 Fig. 12.)

  6. First coil for the SC

    CERN Multimedia

    CERN PhotoLab

    1955-01-01

    The coils for the SC magnet were stored in the large hangar of the Cointrin Airport (to make sure that they would be available before snow and ice would block the roads and canals from Belgium, where they were built).

  7. HF Parameters of Induction Motor

    Directory of Open Access Journals (Sweden)

    M. N. Benallal

    2017-09-01

    Full Text Available This article describes the results of experimental studies of HF input and primary parameters. A simulation model in Matlab SimulinkTM of multiphase windings as ladder circuit of coils is developed. A method for determining the primary parameters of ladder equivalent circuits is presented.

  8. Zr (IV COMPLEXES OF SOME NITROGEN-OXYGEN DONOR LIGANDS (SEMICARBAZONES & SALICYLALDAZINE

    Directory of Open Access Journals (Sweden)

    Z F DAWOOD

    2002-06-01

    Full Text Available Complexes containing mixed ligands of zirconium (IV have been synthesized by the reaction of zirconium (IV nitrate (Zr(NO34, 5H2O with salicylaldazine (SAH2 and semicarbazone ligands benzaldehyde semicarbazone (BSCH, 4-methoxybenzaldehyde semicarbzone (MBSCH, 2-chlorobenzaldehyde semicrbazone (CISCH and cinnamaldehyde semicarbazone (CinSCH forming complexes of the type [Zr2(SAH2(SCH2](NO38 and [Zr2(SA2 (SC2](NO32 in neutral and basic medium respectively. The ligands and their complexes are characterized physico-chemically.

  9. Development of standardized radioactive 46Sc solution

    International Nuclear Information System (INIS)

    Du Hongshan; Jia Zhang; Yu Yiguang; Sun Naiyao

    1988-01-01

    A method of preparation of standardized radioactive 46 Sc solution is developed. The separation of 46 Sc, the composition of 46 Sc solution and its stability, and radioactivity measurement of 46 Sc are systematically studied. The results obtained in the study and in the applications in many laboratories have shown that our method is effective and reliable

  10. High-resolution clean-sc

    NARCIS (Netherlands)

    Sijtsma, P.; Snellen, M.

    2016-01-01

    In this paper a high-resolution extension of CLEAN-SC is proposed: HR-CLEAN-SC. Where CLEAN-SC uses peak sources in “dirty maps” to define so-called source components, HR-CLEAN-SC takes advantage of the fact that source components can likewise be derived from points at some distance from the peak,

  11. The 91Zr(d,t)90Zr reaction

    International Nuclear Information System (INIS)

    Gomes, L.C.

    1975-01-01

    Sixteen levels populated in the 91 Zr(d,t) 90 Zr pick-up reaction were studied with 16 MeV deuterons. Distorted waves Born approximation calculations were compared to the data, and yielded spectroscopic factors and l values. Particle-hole states in 90 Zr were observed. Some significant errors were found in Zr(d,t) reactions Q values recently compiled [pt

  12. Sc-45 nuclear magnetic resonance analysis of precipitation in dilute Al-Sc alloys

    NARCIS (Netherlands)

    Celotto, S; Bastow, TJ

    Nuclear magnetic resonance (NMR) with Sc-45 is used to determine the solid solubility of scandium in aluminium and to follow the precipitation of Al3Sc during the ageing of an Al-0.06 at.% Sc alloy via the two fully resolved peaks, corresponding to Sc in the solid solution Al matrix and to Sc in the

  13. Thermal evolution of CaO-doped HfO{sub 2} films and powders

    Energy Technology Data Exchange (ETDEWEB)

    Barolin, S A; Sanctis, O A de [Lab. Materiales Ceramicos, FCEIyA, Universidad Nacional de Rosario, IFIR-CONICET (Argentina); Caracoche, M C; Martinez, J A; Taylor, M A; Pasquevich, A F [Departamento de Fisica, FCE, Universidad Nacional de La Plata, IFLP-CONICET (Argentina); Rivas, P C, E-mail: oski@fceia.unr.edu.a [Facultad de Ciencias Agronomicas y Forestales, Universidad Nacional de La Plata, IFLP (Argentina)

    2009-05-01

    Solid solutions of ZrO2 and HfO2 are potential electrolyte materials for intermediate-temperature SOFC because both are oxygen-ion conductors. The main challenge for these compounds is to reduce the relatively high value of the activation energies vacancies diffusion, which is influenced by several factors. In this work the thermal evolution of CaO-HfO{sub 2} materials have been investigated. (CaO)y-Hf(1-y)O(2-y) (y = 0.06, 0.14 y 0.2) coatings and powders were synthesized by chemical solution deposition (CSD). Films were deposited onto alumina substrates by Dip Coating technique, the burning of organic waste was carried out at 500 deg. C under normal atmosphere and then the films were thermally treated at intervals of temperature rising to a maximum temperature of 1250 deg. C. By means Glazing Incidence X-ray Diffraction (rho-2theta configuration) the phases were studied in the annealed films. On the other hand, the thermal evolution and crystallization process of powders were analyzed in-situ by HT-XRD. The phenomena crystallization occurred in films and powders were analyzed. The activation energies of diffusion of oxygen vacancies of HfO2-14 mole% CaO and HfO2-20 mole% CaO films were measured from the thermal evolution of the relaxation constant measured by Perturbed Angular Correlation Technique.

  14. [Roberts-SC phocomelia syndrome].

    Science.gov (United States)

    Musfeld, D A; Bühler, E M; Heinzl, S

    2001-01-01

    The Roberts-SC phocomelia syndrome is a rare autosomal recessive inherited disorder clinically manifested by tetraphocomelia, pre- and postnatal growth retardation, and craniofacial abnormalities (skull, eyes, lip, and palate), accompanied at times by centromer puffing and splitting, renal abnormalities, heart defect, clitoral or penile enlargement, and bilateral corneal opacities. Mental retardation is common in surviving patients.

  15. Rotary condenser for SC2

    CERN Multimedia

    1975-01-01

    During 1975 the SC2 performance was improved among other things by redesigning some of the elements of the ROTCO (Annual Report 1975, p. 55). The photo shows an interior wiew of the housing of the rotary condenser and of the sixteen sets of shaped stator blades.

  16. The rotational excitation of HF by H

    Science.gov (United States)

    Desrousseaux, Benjamin; Lique, François

    2018-06-01

    The HF molecule is a key tracer of molecular hydrogen in diffuse interstellar medium (ISM). Accurate modelling of the HF abundance in such media requires one to model its excitation by both radiation and collisions. In diffuse ISM, the dominant collisional partners are atomic and molecular hydrogen. We report quantum time-independent calculations of collisional cross-sections and rate coefficients for the rotational excitation of HF by H. The reactive hydrogen exchange channels are taken into account in the scattering calculations. For the first time, HF-H rate coefficients are provided for temperature ranging from 10 to 500 K. The strongest collision-induced rotational HF transitions are those with Δj = 1, and the order of magnitude of the new HF-H rate coefficients is similar to that of the HF-H2 ones previously computed. As a first application, we simulate the excitation of HF by both H and H2 in typical diffuse ISM. We show that, depending on the rotational transition, hydrogen atoms increase or decrease the simulated excitation temperatures compared to collisional excitation only due to H2 molecules. Such results suggest that the new HF-H collisional data have to be used for properly modelling the abundance of HF in diffuse ISM.

  17. Special Topics in HF Propagation

    Science.gov (United States)

    1979-11-01

    Capitaine de Frigate P.Italley Dr T.SJones Ing6nieur en Chef au CNET Physics Department 38 -40 rue du Gdn~ral Leclerc University of Leicester 9213 i1...fre’qiancý. A t’ctailcd discussion of HF reliability is giver in A companion paiper (MASLIN, N.M . 197(j)) the result tic ligs 4 atad % i-. sumniart-aed...conttoutt to determine if treie :s an additional zonal gqt.ient but wa shall ceo tto.., tnC companion Layttacings that it it, negliit.-tle. F:gur:!i 7A

  18. Determination of 46Sc in water

    International Nuclear Information System (INIS)

    Huo Bijun; Ji Zhaogang; Wang Juying

    1985-01-01

    Analytical procedures for the determination of 46 Sc in water is presented. 46 Sc in water is concentrated with Fe(OH) 3 ; Then 46 Sc is extracted with TBP and purified by precipitating it with Amygdalic Acid. Finally the precipitate is ignited into Sc 2 O 3 under 800 deg C and β-activity is counted. In this method chemical reeovery for Sc was (90.8 +- 2.8)% and radiochemical recovery for 46 Sc was (89.8 +- 3.8)%. Purification factors for some of the relevant Radionuclides ranged from 10 3 to 10 5

  19. PAC study in the HfO2-SiO2 system

    International Nuclear Information System (INIS)

    Chain, C.Y.; Damonte, L.C.; Ferrari, S.; Munoz, E.; Torres, C. Rodriguez; Pasquevich, A.F.

    2010-01-01

    A high-k HfO 2 /SiO 2 gate stack is taking the place of SiO 2 as a gate dielectric in field effect transistors. This fact makes the study of the solid-state reaction between these oxides very important. Nanostructure characterization of a high-energy ball milled and post-annealed equimolar HfO 2 and amorphous SiO 2 powder mixture has been carried out by perturbed angular correlations (PAC) technique. The study was complemented with X-ray diffraction and positron annihilation lifetime spectroscopy (PALS). The experimental results revealed that the ball milling of equimolar mixtures increases the defects concentration in hafnium oxide. No solid-state reaction occurred even after 8 h of milling. The formation of HfSiO 4 (hafnon) was observed in the milled blends annealed at high temperatures.The PAC results of the milled samples are compared with those obtained for pure m-ZrO 2 subjected to high-energy ball milling and with reported microstructure data for the system ZrO 2 -SiO 2 .

  20. Comparison of results analysis of chemical composition of alloys inside the U-Zr-Nb by XRF and AAS techniques

    International Nuclear Information System (INIS)

    Masrukan; Tri Yulianto; Anwar Muchsin

    2011-01-01

    U-Zr-Nb alloy chemical composition analysis using X Ray Fluorescence (XRF) and Atomic Absorption Spectroscopy (AAS) techniques have been conducted, where U-Zr- Nb alloy was chosen as candidates for new high-density fuel for future research reactors . Composition analysis is necessary because the composition of elements in the fuel will determine the characteristics of fuel during the fabrication process and in the reactor. The use of two kinds of analysis techniques were designed to obtain accurate analysis results. The experiment was conducted to determine the major element composition and impurities in the alloy U-Zr-Nb. First U-Zr-Nb varying alloy composition Nb were respectively 1%, 4%, 7% (U10% Zr1% Nb, U10% Zr4% Nb and U10% 7% Nb) as results of the melting process of measuring the diameter of 120 mm crushed on the surface bottom. Once on the bottom surface is smooth, then analyzed using XRF techniques. To analyze the elements using AAS techniques, alloy U-Zr-Nb cut into 10 mm x 5 mm then dissolved using HF and nitric acid. Solution that occurred were analyzed using AAS technique. From the analysis using the XRF technique is obtained the alloy U-10% Zr-1% Nb, U-10% Zr-4% Nb and Zr-10% U-7% Nb) had a content of each element as follows: U (87.8858%), Zr (2.6097%) and Nb (0.2206%), U (87.8556%), Zr (2.6302%), and Nb (0.6573%); U (84.6334%), Zr (2.5773%), and Nb (1.0940) weight. Results of analysis using AAS techniques on samples obtained third consecutive Zr content of 9.25%, 8.90% and 9.80% while the content of Nb was not detected. Meanwhile, the results of elemental analysis of impurities in all three samples showed that almost all the elements are still qualify as fuel except Zn element. Element Zn at the three samples of each alloys U-10% Zr-1% Nb, U-10% Zr-4% Nb and U-10% Zr-7%Nb is 1.3266%, 3.2756% and 1.0927% weight. It could be concluded that the results of analysis of elemental content and impurities in the alloy U-Nb-Zr using both XRF and AAS visible

  1. Amorphous Ti-Zr

    International Nuclear Information System (INIS)

    Rabinkin, A.; Liebermann, H.; Pounds, S.; Taylor, T.

    1991-01-01

    This paper is the first report on processing, properties and potential application of amorphous titanium/zirconium-base alloys produced in the form of a good quality continuous and ductile ribbon having up to 12.5 mm width. To date, the majority of titanium brazing is accomplished using cooper and aluminum-base brazing filler metals. The brazements produced with these filler metals have rather low (∼300 degrees C) service temperature, thus impeding progress in aircraft and other technologies and industries. The attempt to develop a generation of high temperature brazing filler metals was made in the late sixties-early seventies studies in detail were a large number of Ti-, Zr-Ti-Zr, Ti-V and Zr-V-Ti based alloys. The majority of these alloys has copper and nickel as melting temperature depressants. The presence of nickel and copper converts them into eutectic alloys having [Ti(Zr)] [Cu(Ni)], intermetallic phases as major structural constituents. This, in turn, results in high alloy brittleness and poor, if any, processability by means of conventional, i.e. melting-ingot casting-deformation technology. In spite of good wettability and high joint strength achieved in dozens of promising alloys, only Ti-15Cu-15Ni is now widely used as a brazing filler metal for high service temperature. Up until now this material could not be produced as a homogeneous foil and is instead applied as a clad strip consisting of three separate metallic layers

  2. MO-HF-C alloy composition

    International Nuclear Information System (INIS)

    Whelan, E.P.; Kalns, E.

    1987-01-01

    This patent describes, as an article of manufacture, a cast ingot of a molybdenum-hafnium-carbon alloy consisting essentially by weight of about 0.6% to about 1% Hf, about 0.045% to about 0.08% C, and the balance essentially molybdenum. The amount of Hf and C present are substantially stoichiometric with respect to HfC and within about +-15% of stoichiometry. The ingot is characterized in that it has a substantially less tendency to crack compared to alloys containing Hf in excess of about 1% by weight and carbon in excess of 0.08% by weight, without substantial diminution in strength properties of the alloy

  3. Magnetic moment of {sup 48}Sc

    Energy Technology Data Exchange (ETDEWEB)

    Ohtsubo, T., E-mail: tohtsubo@np.gs.niigata-u.ac.jp; Kawamura, Y.; Ohya, S. [Niigata University, Department of Physics (Japan); Izumikawa, T. [Niigata University, Radioisotope Center (Japan); Nishimura, K. [Toyama University, Faculty of Engineering (Japan); Muto, S. [Neutron Science Laboratory, KEK (Japan); Shinozuka, T. [Tohoku University, Cyclotron and Radioisotope Center (Japan)

    2007-11-15

    Nuclear magnetic resonances were measured for {sup 48}Sc and {sup 44m}Sc oriented at 8 mK in an Fe host metal. The magnetic hyperfine splitting frequencies at an external magnetic field of 0.2 T were determined to be 63.22(11) MHz and 64.81(1) MHz for {sup 48}Sc and {sup 44m}Sc, respectively. With the known magnetic moment of {mu}({sup 44m}Sc)=+3.88 (1) {mu}{sub N}, the magnetic moment of {sup 48}Sc is deduced as {mu}({sup 44}Sc)=+3.785(12) {mu}{sub N}. The measured magnetic moment of {sup 48}Sc is discussed in terms of the shell model using the effective interactions.

  4. HfO2 - rare earth oxide systems in the region with high content of rare earth oxide

    International Nuclear Information System (INIS)

    Shevchenko, A.V.; Lopato, L.M.

    1982-01-01

    Using the methods of annealing and hardenings (10 2 -10 4 deg/s cooling rate) and differential thermal analysis elements of state diagrams of HfO 2 - rare earth oxide (rare earths-La, Pr, Nd, Sm, Gd, Tb, Dy, Y, Er, Yb, Lu, Sc) systems from 1800 deg C up to melting in the range of 60-100 mol% rare earth oxide concentration were constructed. Regularities of HfQ 2 addition effect on high-temperature polymorphic transformations of rare earth oxides were studied. Results of investigation were discussed from viewpoint of crystal chemistry

  5. Improved method for Hf separation from silicate rocks for isotopic analysis using Ln-spec resin column

    International Nuclear Information System (INIS)

    Shinjo, Ryuichi; Ginoza, Yuko; Meshesha, Daniel

    2010-01-01

    An improved chemical separation method for Hf isotope ratio measurement using both the thermal ionization mass spectrometer (TIMS) and the multiple collector-inductively coupled plasma-mass spectrometer (MC-ICP-MS) is presented in this paper. In the first column (2.5-ml Eichrom Ln-spec resin), Hf cut was collected with 2M HCl-0.2M HF after washing the major elements, HREE, Ti, Nb, and Zr. For further Hf purification, the second column (1-ml Ln-spec resin) chemistry was conducted in a manner similar to that of the first column. The first column is designed for treatment with a 0.5-g silicate rock sample for TIMS analysis. Thus, because the Hf amount required for MC-ICP-MS analysis is much lesser than that required for TIMS analysis, the column chemistry for MC-ICP-MS analysis can be scaled down, depending on the amount of digested sample. Although there is a need to improve the TIMS technique, the TIMS Hf data obtained for geological reference rocks and Ethiopian flood basalts after the application of the proposed separation methods are consistent, within analytical error, with the previously reported data obtained using the MC-ICP-MS. The advantages of the proposed method include a reduction in the amount of reagents used (hence, a consequent reduction in the blank contribution), reduction in the time required, and a simplified preparation requiring a fewer number of acids. (author)

  6. Development of HF-systems for electron storage systems

    International Nuclear Information System (INIS)

    Androsov, V.P.; Karnaukhov, I.M.; Popkov, Yu.P.; Reva, S.N.; Telegin, Yu.N.

    1999-01-01

    Development of HF systems for electron storages is described. Its final task is construction of 100 kW HF station at 699,3 MHz frequency consisting from low-power HF system, klystron amplifier, wave line for HF power transmission and accelerating section. Functional parameters of HF station are given

  7. Mechanical alloying of Hf and Fe powders

    International Nuclear Information System (INIS)

    Mendoza Zelis, L.; Crespo, E.; Creus, M.; Damonte, L.C.; Sanchez, F.H.; Punte, G.

    1994-01-01

    Pure crystalline Hf and Fe powders were mixed and milled under an argon atmosphere. The evolution of the system with milling time was followed with Moessbauer effect spectroscopy and X-ray diffraction. The results indicate that in the first stages an amorphous Fe-rich alloy was gradually formed together with a solid solution of Hf in Fe beyond the solubility limit. (orig.)

  8. Positron annihilation studies in Hf doped YBCO

    International Nuclear Information System (INIS)

    Gopalan, P.; Priya, E.R.; Premila, M.; Sundar, C.S.; Gopinathan, K.P.

    1992-01-01

    The variation of positron lifetime and oxygen stoichiometry as a function of quench temperature has been measured in undoped and 0.5at%, 0.75at%, and 1.0 at% Hf doped YBCO. In both the undoped and Hf doped samples, the lifetime decreases and the oxygen content increases as the quench temperature is lowered from 900degC to 300degC. The lifetime in the tetragonal phase (900degC) decreases with the increase in Hf content, whereas in the orthorhombic phase (450degC) it increases. The difference in lifetime between the tetragonal and orthorhombic phases decreases with the increase in the Hf content. These trends are discussed in terms of the influence of Hf doping on the oxygen content and the positron density distribution in YBCO

  9. Aspects of HF radio propagation

    Directory of Open Access Journals (Sweden)

    Stephane Saillant

    2009-06-01

    Full Text Available

    radio systems. From the point of view Working Group 2 of the COST 296 Action, interest lies with effects associated

    with propagation via the ionosphere of signals within the HF band. Several aspects are covered in this paper:

    a The directions of arrival and times of flight of signals received over a path oriented along the trough have

    been examined and several types of propagation effects identified. Of particular note, combining the HF observations

    with satellite measurements has identified the presence of irregularities within the floor of the trough that

    result in propagation displaced from the great circle direction. An understanding of the propagation effects that

    result in deviations of the signal path from the great circle direction are of particular relevance to the operation

    of HF radiolocation systems.

    b Inclusion of the results from the above mentioned measurements into a propagation model of the northerly

    ionosphere (i.e. those regions of the ionosphere located poleward of, and including, the mid-latitude trough

    and the use of this model to predict the coverage expected from transmitters where the signals impinge on the

    northerly ionosphere

  10. Roberts-SC phocomelia syndrome.

    Science.gov (United States)

    Maheshwari, A; Kumar, P; Dutta, S; Narang, A

    2001-06-01

    A severely growth retarded baby was born at 38 weeks gestation. He had multiple craniofacial anomalies, microbrachycephaly, phocomelia in the upper limbs and renal cysts visible on ultrasound. He died of recurrent apneas. The autopsy showed left sided multicystic dysplastic kidney and absence of one testis. Cytogenetic studies did not reveal any abnormality. The phenotypic features match those described in the Roberts-SC phocomelia syndrome. A literature review revealed that 50% of these patients have chromosomal defects and antenatal detection is possible on ultrasound and by chromosome analysis of the amniocytes.

  11. The colours of Hubble Sc galaxy nuclei

    International Nuclear Information System (INIS)

    Iskudaryan, S.G.

    1975-01-01

    The colorimetric data on the nuclei of the Sc galaxies are given. Comparison of the following parameters: color of a nucleus, integral color of a galaxy, Byurakan class, and spectral type of normal spirals gives the possibility to conclude: (1) The colors of the nuclei of the Sc galaxies have a high dispersion in its values. In all Byurakan classes the galaxies with intensely red and blue nuclei occur; (2) Some Sc galaxies exhibit a discrepancy between the spectral and morphological types. The results of colorimetry of nuclei indicate that almost all such Sc galaxies have intensely red nuclei which, naturally, provide for these late spectral types. It can be assumed that the intensely red color of the nuclei of such Sc galaxies is a result of a new type of activity of these nuclei; and (3) some Sc galaxies show the characteristics of the Markarian objects

  12. Academic Training - Pulsed SC Magnets

    CERN Multimedia

    Françoise Benz

    2006-01-01

    2005-2006 ACADEMIC TRAINING PROGRAMME LECTURE SERIES 2, 3, June 29, 30, 31 May, 1, 2 June 11:00-12:00 - Auditorium, bldg 500 Pulsed SC Magnets by M. Wilson Lecture 1. Introduction to Superconducting Materials Type 1,2 and high temperature superconductors; their critical temperature, field & current density. Persistent screening currents and the critical state model. Lecture 2. Magnetization and AC Loss How screening currents cause irreversible magnetization and hysteresis loops. Field errors caused by screening currents. Flux jumping. The general formulation of ac loss in terms of magnetization. AC losses caused by screening currents. Lecture 3. Twisted Wires and Cables Filamentary composite wires and the losses caused by coupling currents between filaments, the need for twisting. Why we need cables and how the coupling currents in cables contribute more ac loss. Field errors caused by coupling currents. Lecture 4. AC Losses in Magnets, Cooling and Measurement Summary of all loss mech...

  13. Microhardness evaluation alloys Hf-Si-B; Avaliacao de microdureza de ligas Hf-Si-B

    Energy Technology Data Exchange (ETDEWEB)

    Gigolotti, Joao Carlos Janio; Costa, Eliane Fernandes Brasil [Centro Universitario de Volta Redonda (UNIFOA), Volta Redonda, RJ (Brazil); Nunes, Carlos Angelo; Rocha, Elisa Gombio; Coelho, Gilberto Carvalho, E-mail: carlosjanio@uol.com.br, E-mail: eliane-costabrasi@hotmail.com, E-mail: cnunes@demar.eel.usp.br, E-mail: elisarocha@alunos.eel.usp.br, E-mail: coelho@demar.eel.usp.br [Universidade de Sao Paulo (USP), Lorena, SP (Brazil)

    2014-08-15

    The technological advance has generated increasing demand for materials that can be used under high temperature, what includes intermetallic MR-Si-B (MR = refractory metal) alloys with multiphase structures, that can also be applied in oxide environments. Thus, this work had for objective the micro hardness study of the Hf-Si-B system alloys, heat treated at 1600 deg C, in the Hf rich region. Hf-Si-B alloys had been produced with blades of Hf (min. 99.8%), Si (min. 99.998%) and B (min. 99.5%), in the voltaic arc furnace and heat treated at 1600 deg C under argon atmosphere. The relationship of the phases had been previously identified by X-ray diffraction and contrast in backscattered electron imaging mode. The alloys had their hardness analyzed by method Vickers (micro hardness) with load of 0.05 kgf and 0.2 kgf and application time of 20 s. The results, obtained from the arithmetic mean of measurements for each alloy on the heterogeneous region, showed a mean hardness of 11.08 GPA, with small coefficient of variation of 3.8%. The borides HfB2 (19.34 GPa) e HfB - 11.76 GPa, showed the hardness higher than the silicides Hf2Si (8.57 GPa), Hf5Si3 (9.63 GPa), Hf3Si2 (11.66 GPa), Hf5Si4 (10.00 GPa), HfSi (10.02 GPa) e HfSi2 (8.61 GPa). (author)

  14. Heavy ion studies with CMS HF calorimeter

    International Nuclear Information System (INIS)

    Damgov, I.; Genchev, V.; Kolosov, V.A.; Lokhtin, I.P.; Petrushanko, S.V.; Sarycheva, L.I.; Teplov, S.Yu.; Shmatov, S.V.; Zarubin, P.I.

    2001-01-01

    The capability of the very forward (HF) calorimeter of the CMS detector at LHC to be applied to specific studies with heavy ion beams is discussed. The simulated responses of the HF calorimeter to nucleus-nucleus collisions are used for the analysis of different problems: reconstruction of the total energy flow in the forward rapidity region, accuracy of determination of the impact parameter of collision, study of fluctuations of the hadronic-to-electromagnetic energy ratio, fast inelastic event selection

  15. Theoretical prediction of ion conductivity in solid state HfO2

    Science.gov (United States)

    Zhang, Wei; Chen, Wen-Zhou; Sun, Jiu-Yu; Jiang, Zhen-Yi

    2013-01-01

    A theoretical prediction of ion conductivity for solid state HfO2 is carried out in analogy to ZrO2 based on the density functional calculation. Geometric and electronic structures of pure bulks exhibit similarity for the two materials. Negative formation enthalpy and negative vacancy formation energy are found for YSH (yttria-stabilized hafnia) and YSZ (yttria-stabilized zirconia), suggesting the stability of both materials. Low activation energies (below 0.7 eV) of diffusion are found in both materials, and YSH's is a little higher than that of YSZ. In addition, for both HfO2 and ZrO2, the supercells with native oxygen vacancies are also studied. The so-called defect states are observed in the supercells with neutral and +1 charge native vacancy but not in the +2 charge one. It can give an explanation to the relatively lower activation energies of yttria-doped oxides and +2 charge vacancy supercells. A brief discussion is presented to explain the different YSH ion conductivities in the experiment and obtained by us, and we attribute this to the different ion vibrations at different temperatures.

  16. 46 CFR 7.70 - Folly Island, SC to Hilton Head Island, SC.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Folly Island, SC to Hilton Head Island, SC. 7.70 Section... BOUNDARY LINES Atlantic Coast § 7.70 Folly Island, SC to Hilton Head Island, SC. (a) A line drawn from the...′ W. (Port Royal Sound Lighted Whistle Buoy “2PR”); thence to the easternmost extremity of Hilton Head...

  17. Corrosion Behaviour of New Zr Alloys

    DEFF Research Database (Denmark)

    Tolksdorf, E.

    1974-01-01

    Corrosion studies have indicated that the most promising replacements for Zicaloy-2 are ZrCrFe, ZrVFe and probably ZrNbTa, provided they are in their optimized condition. These alloys are conventionally manufactured alloys. An internally oxidized ZrMgO alloy is even superior, from the corrosion...

  18. Radiation Protection Section (SC/SL/RP)

    CERN Document Server

    2006-01-01

    We should like to inform you that the Radiation Protection Section (SC/SL/RP) located on the Prévessin site has moved from Building 865 (ground floor) to new premises in Wing A of Building 892 (second floor). Telephone numbers remain the same. SC/SL/RP section

  19. Cation mobility in NASICON compounds Li1-xZr2-xNbx(PO4)3 and Li1+xZr2-xScx(PO4)3

    International Nuclear Information System (INIS)

    Stenina, I.A.; Yaroslavtsev, A.B.; Aliev, A.D.; Antipov, E.V.; Velikodnyj, Yu.A.; Rebrov, A.I.

    2002-01-01

    Compounds featuring NASICON structure of the composition Li 1-x Zr 2-x Nb x (PO 4 ) 3 and Li 1+x Zr 2-x Sc x (PO 4 ) 3 were studied by the method of X-ray phase analysis and 7 Li and 31 P NMR. Structure of Li 0.8 Zr 1.8 Nb 0.2 (PO 4 ) 3 was refined on the basis of X-ray powder pattern. It is shown that cationic disordering in LiZr 2 (PO 4 ) 3 is stimulated both by cationic vacancies and interstitial atoms formation. The cationic vacancies are characterized by a higher mobility. The level of intrinsic disordering was estimated and the Frenkel constant for the compound was calculated [ru

  20. Sc-W-Si and Sc-W-Ge ternary systems

    International Nuclear Information System (INIS)

    Kotur, B.Ya.; Voznyak, O.M.; Bodak, O.I.

    1989-01-01

    Phase equilibria in Sc-W-Si and Sc-W-Ge ternary systems are investigated at 1070 K. Sc 2+x W 3-x Si 4 ternary compound (0≤x≤1) is determined, its crystal structure (Ce 2 Sc 3 Si 4 structural type), as well as, change of elementary cell parameters and microhardness within homogeneity range are determined. Regularities of component interaction within Sc-M-Si(Ge) (M-Cr, Mo, W) ternary system are determined. Ternary systems with Mo and W are more closer to each other according to the phase equilibria character, than to ternary systems with Cr

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

    International Nuclear Information System (INIS)

    McCulla, W.H.

    1982-01-01

    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 -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

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  3. Comparative investigation of tungsten inert gas and friction stir welding characteristics of Al-Mg-Sc alloy plates

    International Nuclear Information System (INIS)

    Zhao, Juan; Jiang, Feng; Jian, Haigen; Wen, Kang; Jiang, Long; Chen, Xiaobo

    2010-01-01

    Al-Mg-Sc alloy plates were welded by FSW and TIG welding. The effect of welding processes on mechanical properties of Al-Mg-Sc welded joints was analyzed based on optical microscopy, transmission electron microscopy, tensile testing and Vickers microhardness measurements. The results show that the mechanical properties of FSW welded joint are much better than those of TIG welded joint; the strength coefficient of FSW joint is up to 94%. Moreover, tensile strength and yield strength of FSW joint are 19% and 31% higher than those of TIG joint, respectively, which are attributed to the preservation of cold working microstructures in the process of FSW. Due to the low welding temperature during FSW process and the excellent thermal stability of Al 3 (Sc, Zr) particles, the cold working microstructures can be well preserved. In addition, the FSW joint have asymmetric microstructures and mechanical properties, which are not observed in TIG welded joint.

  4. High-K rotational bands in {sup 174}Hf and {sup 175}Hf

    Energy Technology Data Exchange (ETDEWEB)

    Gjoerup, N L; Sletten, G [The Niels Bohr Institute, Roskilbe (Denmark); Walker, P M [Surrey Univ., Guildford (United Kingdom). Dept. of Physics; Bentley, M A [Daresbury Lab. (United Kingdom); Cullen, D M; Sharpey-Schafer, J F; Fallon, P; Smith, G [Liverpool Univ. (United Kingdom). Oliver Lodge Lab.

    1992-08-01

    High sensitivity experiments with {sup 48}Ca, {sup 18}O and {sup 9}Be induced reactions using the ESSA-30, TESSA-3 and NORDBALL arrays have provided extensive new information on the high spin level structures of {sup 174}Hf and {sup 175}Hf. During the series of experiments, several new bands have been found and most known bands have been extended considerably. Spin and excitation energy ranges for {sup 174}Hf are now {approx} 35 {Dirac_h} and {approx} 13 MeV, respectively, and for {sup 175}Hf ranges are {approx} 30 {Dirac_h} and {approx} 7 MeV. respectively. Several new high-K structures have been found in {sup 174}Hf and the structure of these and the already known high-K bands in both nuclei together with the new Tilted Axis Cranking approach might explain the small K-hindrances observed for K-isomers in this region. (author). 8 refs., 2 figs.

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

    Science.gov (United States)

    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

  6. SC-FDMA for mobile communications

    CERN Document Server

    Abd El-Samie, Fathi E

    2013-01-01

    SC-FDMA for Mobile Communications examines Single-Carrier Frequency Division Multiple Access (SC-FDMA). Explaining this rapidly evolving system for mobile communications, it describes its advantages and limitations and outlines possible solutions for addressing its current limitations. The book explores the emerging trend of cooperative communication with SC-FDMA and how it can improve the physical layer security. It considers the design of distributed coding schemes and protocols for wireless relay networks where users cooperate to send their data to the destination. Supplying you with the re

  7. Comparison of HfCl4, HfI4, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO2 films deposited by ALD: A DFT study

    Science.gov (United States)

    Cortez-Valadez, M.; Fierro, C.; Farias-Mancilla, J. R.; Vargas-Ortiz, A.; Flores-Acosta, M.; Ramírez-Bon, R.; Enriquez-Carrejo, J. L.; Soubervielle-Montalvo, C.; Mani-Gonzalez, P. G.

    2016-06-01

    The final structure of HfO2 films grown by atomic layer deposition (ALD) after reaction with OH- ions has been analyzed by DFT (density functional theory). The interaction of the precursors: HfCl4 (hafnium tetrachloride), HfI4 (hafnium tetraiodide), TEMA-Hf (tetrakis-ethylmethylamino hafnium), and TDMA-Hf (tetrakis-dimethylamino hafnium) with HO-H was studied employing the B3LYP (Becke 3-parameter, Lee-Yang-Parr) hybrid functional and the PBE (Perdew-Burke-Ernzerhof) generalized gradient functional. The structural evolution at the Si(100) surface has been analyzed by LDA (local density approximation). The structural parameters: bond length and bond angle, and the vibrational parameters for the optimized structures are also reported. The presence of hafnium silicate at the interface was detected. The infrared spectra and structural parameters obtained in this work agree with previously reported experimental results.

  8. Competition between disorder and exchange splitting in superconducting ZrZn2

    International Nuclear Information System (INIS)

    Powell, B J; Annett, James F; Gyoerffy, B L

    2003-01-01

    We propose a simple picture for the occurrence of superconductivity and the pressure dependence of the superconducting critical temperature, T SC , in ZrZn 2 . According to our hypothesis the pairing potential is independent of pressure, but the exchange splitting, E xc , leads to a pressure dependence in the (spin dependent) density of states at the Fermi level, D σ (ε F ). Assuming p-wave pairing T SC is dependent on D σ (ε F ) which ensures that, in the absence of non-magnetic impurities, T SC decreases as pressure is applied until it reaches a minimum in the paramagnetic state. Disorder reduces this minimum to zero, this gives the illusion that the superconductivity disappears at the same pressure as ferromagnetism does. (letter to the editor)

  9. Zr/ZrC modified layer formed on AISI 440B stainless steel by plasma Zr-alloying

    Energy Technology Data Exchange (ETDEWEB)

    Shen, H.H.; Liu, L.; Liu, X.Z.; Guo, Q.; Meng, T.X.; Wang, Z.X.; Yang, H.J.; Liu, X.P., E-mail: liuxiaoping@tyut.edu.cn

    2016-12-01

    Highlights: • A Zr/ZrC modified layer was formed on AISI 440B stainless steel using plasma surface Zr-alloying. • The thickness of the modified layer increases with alloying temperature and time. • Formation mechanism of the modified layer is dependent on the mutual diffusion of Zr and substrate elements. • The modified surface shows an improved wear resistance. - Abstract: The surface Zr/ZrC gradient alloying layer was prepared by double glow plasma surface alloying technique to increase the surface hardness and wear resistance of AISI 440B stainless steel. The microstructure of the Zr/ZrC alloying layer formed at different alloying temperatures and times as well as its formation mechanism were discussed by using scanning electron microscopy, glow discharge optical emission spectrum, X-ray diffraction and X-ray photoelectron spectroscopy. The adhesive strength, hardness and tribological property of the Zr/ZrC alloying layer were also evaluated in the paper. The alloying surface consists of the Zr-top layer and ZrC-subsurface layer which adheres strongly to the AISI 440B steel substrate. The thickness of the Zr/ZrC alloying layer increases gradually from 16 μm to 23 μm with alloying temperature elevated from 900 °C to 1000 °C. With alloying time from 0.5 h to 4 h, the alloyed depth increases from 3 μm to 30 μm, and the ZrC-rich alloyed thickness vs time is basically parabola at temperature of 1000 °C. Both the hardness and wear resistance of the Zr/ZrC alloying layer obviously increase compared with untreated AISI 440B steel.

  10. Zr/ZrC modified layer formed on AISI 440B stainless steel by plasma Zr-alloying

    Science.gov (United States)

    Shen, H. H.; Liu, L.; Liu, X. Z.; Guo, Q.; Meng, T. X.; Wang, Z. X.; Yang, H. J.; Liu, X. P.

    2016-12-01

    The surface Zr/ZrC gradient alloying layer was prepared by double glow plasma surface alloying technique to increase the surface hardness and wear resistance of AISI 440B stainless steel. The microstructure of the Zr/ZrC alloying layer formed at different alloying temperatures and times as well as its formation mechanism were discussed by using scanning electron microscopy, glow discharge optical emission spectrum, X-ray diffraction and X-ray photoelectron spectroscopy. The adhesive strength, hardness and tribological property of the Zr/ZrC alloying layer were also evaluated in the paper. The alloying surface consists of the Zr-top layer and ZrC-subsurface layer which adheres strongly to the AISI 440B steel substrate. The thickness of the Zr/ZrC alloying layer increases gradually from 16 μm to 23 μm with alloying temperature elevated from 900 °C to 1000 °C. With alloying time from 0.5 h to 4 h, the alloyed depth increases from 3 μm to 30 μm, and the ZrC-rich alloyed thickness vs time is basically parabola at temperature of 1000 °C. Both the hardness and wear resistance of the Zr/ZrC alloying layer obviously increase compared with untreated AISI 440B steel.

  11. The cross section measurements for the 51V(n, α)48Sc and 51V(n,p)51Ti reactions

    International Nuclear Information System (INIS)

    Hu Shangbin; Kong Xiangzhong; Yang Jingkang

    1999-01-01

    The cross sections for 51 V(n, α) 48 Sc and 51 V(n,p) 51 Ti have been measured by using the activation method relative to the cross sections of 27 Al(n, α) 24 Na in the neutron energy range 13.4 --14.8 MeV. The results are compared with the published data. The neutron energies were determined by the method of cross section ratios for the reactions 90 Zr(n.2n) 89 Zr by 93 Nb(n,2n) 92m Nb

  12. Searching triaxial superdeformation in 175Hf

    International Nuclear Information System (INIS)

    Li Xiaowei; Zhejiang Normal Univ., Jinhua; Yu Shaoying; Zhejiang Normal Univ., Jinhua; Chinese Academy of Sciences, Beijing; Shen Caiwan; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou; Chen Yongshou; Chinese Academy of Sciences, Beijing; National Laboratory of Heavy Ion Accelerator of Lanzhou

    2006-01-01

    A two-dimensional Total Routhian Surface (TRS) calculation is carried out in order to ascertain if there is triaxial superdeformation in 175 Hf. A five quasi-particle configuration is chosen in the calculation. Unfortunately, the TRS minimum does not show up in the total potential energy surface. (authors)

  13. Ferromagnetic characteristics of HfFe2

    International Nuclear Information System (INIS)

    Novakovic, N.; Belosevic-Cavor, J.; Cekic, B.; Manasijevic, M.; Milosevic, Z. . E-mail address of correspoding author: novnik@rt270.vin.bg.ac.yu; Novakovic, N.)

    2003-01-01

    The magnetic hyperfine fields at 181 Ta ion-probe sites in the HfFe 2 polycrystalline binary compound were measured using the time-differential perturbed angular correlation (TDPAC) method. Measurements were performed in the absence of polarizing external magnetic field, at room temperature. The existence of two different structures, dominant cubic MgCu 2 -type and hexagonal MgZn 2 -type in our HfFe 2 sample was refined. Both structures are ferromagnetic with Curie temperatures, which differ significantly (588 K for MgCu 2 and 427 K for MgZn 2 ). The corresponding values of hyperfine fields are H hf 13.8±0.1 T for MgCu 2 -type structure and H hf = 8.0±0.2 T for MgZn 2 -type structure. Calculations using LAPW-Wien 97 program package are in progress and preliminary results are in good agreement with experiment. The analysis includes qualitative explanation of the exchange interactions mechanism between magnetic dipole moment of the observed 181 Ta ion-probe and magnetic dipole moments of the nearest neighbours on the corresponding coordination polyhedra. All these results will be published recently. (author)

  14. Statistical gamma transitions in {sup 174}Hf

    Energy Technology Data Exchange (ETDEWEB)

    Farris, L P; Cizewski, J A; Brinkman, M J; Henry, R G; Lee, C S [Rutgers--the State Univ., New Brunswick, NJ (United States); Khoo, T L; Janssens, R V.F.; Moore, E F; Carpenter, M P; Ahmad, I; Lauritsen, T [Argonne National Lab., IL (United States); Kolata, J J; Beard, K B; Ye, B; Garg, U [Notre Dame Univ., IN (United States); Kaplan, M S; Saladin, J X; Winchell, D [Pittsburgh Univ., PA (United States)

    1992-08-01

    The 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. (author). 15 refs., 1 tab., 3 figs.

  15. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO2 in its cubic and orthorhombic phase

    International Nuclear Information System (INIS)

    Ponce, C A; Casali, R A; Caravaca, M A

    2008-01-01

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C 11 , C 12 and C 44 for Si, ZrO 2 and HfO 2 in their cubic phase, and constants C 11 , C 22 , C 33 , C 12 , C 13 , C 23 , C 44 , C 55 and C 66 for HfO 2 in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f 14 electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for

  16. 33 CFR 80.712 - Morris Island, SC to Hilton Head Island, SC.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Morris Island, SC to Hilton Head..., SC to Hilton Head Island, SC. (a) A line drawn from the easternmost tip of Folley Island to the... easternmost extremity of Hilton Head at latitude 32°13.0′ N. longitude 80°40.1′ W. [CGD 77-118a, 42 FR 35784...

  17. Hf Isotope Evidence for Subducted Basalt and Sediment Contributions to the Eastern Trans-Mexican Volcanic Belt

    Science.gov (United States)

    Cai, Y.; Tuena, A. G.; Capra, L.; Straub, S. M.; Goldstein, S. L.; Langmuir, C. H.

    2005-12-01

    Magmas generated at thick crust continental arcs often have enriched continental crust-like trace element patterns and Pb-Sr-Nd isotope ratios that are intermediate to both upper mantle and crustal compositions. Thus it is difficult to distinguish between contributions from (a) the subducted basalt and the upper mantle wedge, and (b) subducted sediment and the continental crust. These issues have been the focus of major controversy. Here we show evidence for subduction contributions to lavas in a classic thick crust environment. In Eastern Trans-Mexican Volcanic Belt, the upper continental crust is 30 km to 45 km thick. However, primitive mafic lavas erupt on many sites across the arc. We have analyzed the subducting sediments as represented by DSDP 487, located seaward of the trench, where the lower third of the sediment column has strongly hydrothermal pelagic features and the upper two-thirds is composed of terrigenous sediments. The pelagic sediments have distinctive features that could be used to identify a subduction component in the volcanics, including high REE/Hf, negative Ce anomalies, and Nd-Hf isotopes that lie on the "seawater array" and offset from the "mantle-crust" array. We have focused on a unique series of lavas from volcano Nevado de Toluca, located southwest of Mexico City. These lavas show negative Ce anomalies coupled with low REE/Hf and Zr/Nd ratios. Hf-Nd isotope ratios show a shallow trend compared to the mantle-crust array, consistent with a pelagic component. In addition, Hf isotopes show a striking positive correlation with Ce anomalies that trend toward the pelagic sediment compositions. These and other observations provide clear evidence for a component from subducted sediment in the lavas. In addition, there is a negative correlation of Lu/Hf and Hf isotopes that requires a mixing endmember with MORB-like Hf isotope ratios but with lower than MORB Lu/Hf. This indicates a melt from eclogitic subducted basalt. Compared to other

  18. QAPP for Hydraulic Fracturing (HF) Surface Spills Data Analysis

    Science.gov (United States)

    This QAPP provides information concerning the analysis of spills associated with hydraulic fracturing. This project is relevant to both the chemical mixing and flowback and produced water stages of the HF water cycle as found in the HF Study Plan.

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

    Science.gov (United States)

    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.

  20. Wet etching characteristics of a HfSiON high-k dielectric in HF-based solutions

    International Nuclear Information System (INIS)

    Li Yongliang; Xu Qiuxia

    2010-01-01

    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 0 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 N 2 plasma treatment before wet etching is not very effective in increasing the wet etch rate for a thin HfSiON film in our case. (semiconductor technology)

  1. Hf layer thickness dependence of resistive switching characteristics of Ti/Hf/HfO2/Au resistive random access memory device

    Science.gov (United States)

    Nakajima, Ryo; Azuma, Atsushi; Yoshida, Hayato; Shimizu, Tomohiro; Ito, Takeshi; Shingubara, Shoso

    2018-06-01

    Resistive random access memory (ReRAM) devices with a HfO2 dielectric layer have been studied extensively owing to the good reproducibility of their SET/RESET switching properties. Furthermore, it was reported that a thin Hf layer next to a HfO2 layer stabilized switching properties because of the oxygen scavenging effect. In this work, we studied the Hf thickness dependence of the resistance switching characteristics of a Ti/Hf/HfO2/Au ReRAM device. It is found that the optimum Hf thickness is approximately 10 nm to obtain good reproducibility of SET/RESET voltages with a small RESET current. However, when the Hf thickness was very small (∼2 nm), the device failed after the first RESET process owing to the very large RESET current. In the case of a very thick Hf layer (∼20 nm), RESET did not occur owing to the formation of a leaky dielectric layer. We observed the occurrence of multiple resistance states in the RESET process of the device with a Hf thickness of 10 nm by increasing the RESET voltage stepwise.

  2. Neutron separation energies of Zr isotopes

    International Nuclear Information System (INIS)

    Gomes, L.C.; Dietzsch, O.

    1976-01-01

    Q values are reported for (d,t) reactions on all the stable isotopes of zirconium. The neutron separation energies of 94 Zr and 96 Zr differ greatly (by 27.5 and 22.1 keV, respectively) from the values in the 1971 Atomic Mass Evaluation. These results combined with those from other authors seem to indicate that the 1971 values for the masses of 93 Zr and 95 Zr are in error. (orig.) [de

  3. Structural and morphological properties of HfxZr 1-xO2 thin films prepared by Pechini route

    KAUST Repository

    García-Cerda, L. A.

    2010-03-01

    In this study, HfxZr1-xO2 (0 < x < 1) thin films were deposited on silicon wafers using a dip-coating technique and by using a precursor solution prepared by the Pechini route. The effects of annealing temperature on the structure and morphological properties of the proposed films were investigated. HfxZr1-xO2 thin films with 1, 3 and 5 layers were annealed in air for 2 h at 600 and 800 °C and the structural and morphological properties studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD results show that the films have monoclinic and tetragonal structure depending of the Hf and Zr concentration. SEM photographs show that all films consist of nanocrystalline grains with sizes in the range of 6 - 13 nm. The total film thickness is about 90 nm. © (2010) Trans Tech Publications.

  4. Magnetic properties of FeZr{sub 2} and Fe{sub 2}Zr intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Prajapat, C. L., E-mail: prajapat@barc.gov.in; Singh, M. R.; Mishra, P. K. [Technical Physics Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Chattaraj, D. [Product Development Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Mishra, R. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Ravikumar, G. [Scientific Information Resources Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India)

    2016-05-23

    Magnetic properties of Fe-Zr system, viz., FeZr{sub 2} and Fe{sub 2}Zr have been studied. Both the compounds show soft ferromagnetic behavior. Curie temperature is well above the room temperature. Lower saturation magnetization for the zirconium rich sample, FeZr{sub 2}, could be due to possible donation of electrons from the Zr-rich neighbors to Fe atoms or diminution of long range magnetic order by defects.

  5. Comparison of HfCl4, HfI4, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO2 films deposited by ALD: A DFT study

    International Nuclear Information System (INIS)

    Cortez-Valadez, M.; Fierro, C.; Farias-Mancilla, J.R.; Vargas-Ortiz, A.; Flores-Acosta, M.; Ramírez-Bon, R.; Enriquez-Carrejo, J.L.

    2016-01-01

    Highlights: • Hafnium oxide growth on Si(100) by atomic layer deposition was simulated. • The interface structure was considered as silicate and silicide. • The interface was studied employing DFT. • TDMA-Hf precursor show better interface stability. - Abstract: The final structure of HfO 2 films grown by atomic layer deposition (ALD) after reaction with OH − ions has been analyzed by DFT (density functional theory). The interaction of the precursors: HfCl 4 (hafnium tetrachloride), HfI 4 (hafnium tetraiodide), TEMA-Hf (tetrakis-ethylmethylamino hafnium), and TDMA-Hf (tetrakis-dimethylamino hafnium) with HO–H was studied employing the B3LYP (Becke 3-parameter, Lee–Yang–Parr) hybrid functional and the PBE (Perdew–Burke–Ernzerhof) generalized gradient functional. The structural evolution at the Si(100) surface has been analyzed by LDA (local density approximation). The structural parameters: bond length and bond angle, and the vibrational parameters for the optimized structures are also reported. The presence of hafnium silicate at the interface was detected. The infrared spectra and structural parameters obtained in this work agree with previously reported experimental results.

  6. Comparison of HfCl{sub 4}, HfI{sub 4}, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO{sub 2} films deposited by ALD: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Cortez-Valadez, M. [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, 83190 Hermosillo, Son. (Mexico); Fierro, C.; Farias-Mancilla, J.R. [Instituto de Ingeniería y Tecnología, Departamento de Física y Matemáticas, Universidad Autónoma de Ciudad Juárez, Av. del Charro 450, Cd. Juárez C.P. 32310, Chihuahua (Mexico); Vargas-Ortiz, A. [Universidad Autónoma de Sinaloa, Facultad de Ingeniería Mochis, Ciudad Universitaria, C.P. 81223 Los Mochis, Sinaloa (Mexico); Flores-Acosta, M. [Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-88, 83190 Hermosillo, Son. (Mexico); Ramírez-Bon, R. [Centro de Investigación y Estudios Avanzados del IPN, Unidad Querétaro, Apdo. Postal 1-798, 76001 Querétaro, Qro. (Mexico); Enriquez-Carrejo, J.L. [Instituto de Ingeniería y Tecnología, Departamento de Física y Matemáticas, Universidad Autónoma de Ciudad Juárez, Av. del Charro 450, Cd. Juárez C.P. 32310, Chihuahua (Mexico); and others

    2016-06-15

    Highlights: • Hafnium oxide growth on Si(100) by atomic layer deposition was simulated. • The interface structure was considered as silicate and silicide. • The interface was studied employing DFT. • TDMA-Hf precursor show better interface stability. - Abstract: The final structure of HfO{sub 2} films grown by atomic layer deposition (ALD) after reaction with OH{sup −} ions has been analyzed by DFT (density functional theory). The interaction of the precursors: HfCl{sub 4} (hafnium tetrachloride), HfI{sub 4} (hafnium tetraiodide), TEMA-Hf (tetrakis-ethylmethylamino hafnium), and TDMA-Hf (tetrakis-dimethylamino hafnium) with HO–H was studied employing the B3LYP (Becke 3-parameter, Lee–Yang–Parr) hybrid functional and the PBE (Perdew–Burke–Ernzerhof) generalized gradient functional. The structural evolution at the Si(100) surface has been analyzed by LDA (local density approximation). The structural parameters: bond length and bond angle, and the vibrational parameters for the optimized structures are also reported. The presence of hafnium silicate at the interface was detected. The infrared spectra and structural parameters obtained in this work agree with previously reported experimental results.

  7. Properties of phases in HfO2-TiO2 system

    International Nuclear Information System (INIS)

    Red'ko, V.P.; Terekhovskij, P.B.; Majster, I.M.; Shevchenko, A.V.; Lopato, L.M.; Dvernyakova, A.A.

    1990-01-01

    A study was made on axial and linear coefficients of thermal expansion (CTE) of HfO 2 -TiO 2 system samples in concentration range of 25-50 mol% TiO 2 . Samples, containing 35 and 37 mol% TiO 2 , are characterized by the lowest values of linear CTE. Dispersion of the basic substances doesn't affect CTE value. Correlation with axial and linear CTE of samples in ZrO 2 -TiO 2 system was conducted. Presence of anisotropy of change of lattice parameters was supported for samples, containing 37.5 and 40 mol% TiO 2 . Polymorphous transformations for hafnium titanate were not revealed

  8. Self-diffusion of Er and Hf inpure and HfO2-doped polycrystalline Er2O3

    International Nuclear Information System (INIS)

    Scheidecker, R.W.

    1979-01-01

    Using a tracer technique, self-diffusion of Er and Hf was measured over the approximate temperature interval of 1600 to 1970 0 C in pure and HfO 2 -doped polycryatalline Er 2 O 3 . Up to about 10 m/o HfO 2 dopant level, the Er self-diffusion coefficients followed a relationship based on cation vacancies. Above 10 m/o HfO 2 , deviation from this relationship occurred, apparently due to clustering of cation vacancies and oxygen interstitials around the dopant hafnia ion. The activation energy for the self-diffusion of Er in pure Er 2 O 3 was 82.2 Kcal/mole and increased with the HfO 2 dopant level present. Self-diffusion of Hf was measured in pure Er 2 O 3 having two impurity levels, and a separation of the grain boundary. The volume diffusion of Hf showed both extrinsic and intrinsic behavior with the transition temperature increasing with the impurity level present in Er 2 O 3 . The activation energy for Hf volume diffusion in the intrinsic region was high, i.e. 235 -+ 9.5 Kcal/mole. The grain boundary diffusion was apparently extrinsic over the entire temperature interval Very low Hf self diffusion rates were found in both pure and HfO 2 doped Er 2 O 3 compositions. Despite a clustering effect, the HfO 2 dopant increased the Hf volume diffusion coefficients

  9. Structure and bonding of ScCN and ScNC: Ground and low-lying states

    International Nuclear Information System (INIS)

    Kalemos, Apostolos; Metropoulos, Aristophanes; Mavridis, Aristides

    2012-01-01

    Graphical abstract: The experimentally unknown systems ScCN and ScNC have been studied through single reference CISD and CCSD(T) methods. A total of 20 = 10 (ScCN) + 10 (ScNC) states were examined. All states are quite ionic whereas ScNC(X ∼3 Δ) is stabler than ScCN(X ∼3 Δ) by ∼5 kcal/mol. Display Omitted Highlights: ► We have studied through ab initio methods the polytopic system Sc[CN]. ► A series of low lying states for both isomeric forms have been examined. ► Around equilibrium the system displays a pronounced Sc + [CN] − ionic character. - Abstract: We have studied the experimentally unknown Sc[CN] molecular system in both its isomeric forms, scandium cyanide (ScCN) and isocyanide (ScNC), through ab initio computations. We report energetics, geometries, harmonic frequencies, and dipole moments for the first 20 Sc[CN] states correlating diabatically to Sc + ( 3 D, 1 D, 3 F) + CN − (X 1 Σ + ). Both isomers have a pronounced ionic character around equilibrium due to the high electron affinity of the CN group and the low ionization energy of the Sc atom. According to our calculations the ScNC isomer (X ∼3 Δ) is stabler than the ScCN(X ∼3 Δ) by ∼5 kcal/mol.

  10. High resolution TDPAC measurements on 181Ta in Hf2Fe, Hf2Co and Hf2Rh at high temperature

    International Nuclear Information System (INIS)

    Cekic, B.; Koicki, S.; Ivanovic, N.; Manasijevic, M.; Koteski, V.; Marjanovic, D.

    1998-01-01

    The time differential perturbed angular correlation measurements (TDPAC-method ) on 181 Ta ion probe in Hf 2 Co, Hf 2 Fe and Hf 2 Rh intermetallic compounds have been performed at 1170 K, using a fast - slow time spectrometer consisting of two BaF 2 detectors. The results of the measurements show the presence of two independent electric quadrupole interactions, compatible with the crystalline structure of these polycrystalline compounds. (authors)

  11. Quantum oscillation evidence for a topological semimetal phase in ZrSnTe

    Science.gov (United States)

    Hu, Jin; Zhu, Yanglin; Gui, Xin; Graf, David; Tang, Zhijie; Xie, Weiwei; Mao, Zhiqiang

    2018-04-01

    The layered WHM-type (W =Zr /Hf /La , H =Si /Ge /Sn /Sb , M =S /Se /Te ) materials represent a large family of topological semimetals, which provides an excellent platform to study the evolution of topological semimetal state with the fine tuning of spin-orbit coupling and structural dimensionality for various combinations of W , H , and M elements. In this work, through high field de Haas-van Alphen (dHvA) quantum oscillation studies, we have found evidence for the predicted topological nontrivial bands in ZrSnTe. Furthermore, from the angular dependence of quantum oscillation frequency, we have revealed the three-dimensional Fermi surface topologies of this layered material owing to strong interlayer coupling.

  12. Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

    KAUST Repository

    Kanoun, Mohammed; Goumri-Said, Souraya

    2014-01-01

    We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

  13. Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

    KAUST Repository

    Kanoun, Mohammed

    2014-09-01

    We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

  14. Structural study of Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Matsubara, E.; Ichitsubo, T.; Saida, J.; Kohara, S.; Ohsumi, H.

    2007-01-01

    Structures of Zr 70 Ni 20 Al 10 , Zr 70 Cu 20 Al 10 , Zr 70 Cu 30 and Zr 70 Ni 30 amorphous alloys were analyzed by high-energy X-ray diffraction. The relatively stable Zr 2 Cu amorphous alloy shows a local atom arrangement different from the Zr 2 Cu crystalline phase. By contrast, the less stable Zr 70 Ni 30 amorphous alloy has a structure similar to Zr 2 Ni. In the Zr 70 Cu 20 Al 10 metallic glass, Zr-Al nearest neighbor pairs are introduced in the amorphous structure. In the Zr 70 Ni 20 Al 10 metallic glass, the strong correlation between Zr-Ni pairs is drastically modified by the formation of Zr-Al pairs. The presence of Zr-Al pairs in the ternary alloys suppresses the crystallization and stabilizes the glassy state

  15. Order-disorder phase transition in ZrV2Dsub(3.6)

    International Nuclear Information System (INIS)

    Didisheim, J.-J.; Yvon, K.; Tissot, P.

    1981-01-01

    The deuterated C15-type Laves phase ZrV 2 Dsub(3.6) undergoes a structural phase transition near room temperature (T of the order of 325 K). In the cubic high-temperature phase the deuterium atoms are disordered over two types of tetrahedral interstices, the centres of which are 1.3 A apart. In the tetragonal low-temperature phase the D atoms are ordered and occupy only the energetically more favourable interstices. The tetragonal structure is isotypic with the low-temperature phase of HfV 2 D 4 . The shortest D-D distance is 2.1 A. (author)

  16. Magnetic properties of Hf177 and Hf180 in the strong-coupling deformed model

    Science.gov (United States)

    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.

  17. Electric Field Gradients at Hf and Fe Sites in Hf2Fe Recalculated

    International Nuclear Information System (INIS)

    Belosevic-Cavor, J.; Cekic, B.; Novakovic, N.; Koteski, V.; Milosevic, Z.

    2004-01-01

    The electric field gradients (EFG) of the Hf 2 Fe intermetallic compound were calculated using the full-potential linearized augmented plain-wave (FP-LAPW) method as embodied in the WIEN 97 code. The obtained values are compared with other ab-initio calculations and on a qualitative basis with the previously reported experimental data obtained from TDPAC. The calculated results, -23.1.10 21 V/m 2 and 2.7.10 21 V/m 2 for Hf 48f and Fe 32e position, respectively, are in excellent agreement with experimental data (23.4.10 21 V/m 2 and 2.7.10 21 V/m 2 ), better than those reported in earlier calculations. The calculated EFG for Hf 16c position (4.2.10 21 V/m 2 ) is stronger than the experimental one (1.1.10 21 V/m 2 ).

  18. Pure and Y-substituted BaZrO3 ceramics. A possible support material for fabrication of YBa2Cu3O7-x high-Tc superconductors

    International Nuclear Information System (INIS)

    Wang Xiandong.

    1993-01-01

    This thesis concerns the preparation and characterization of cuprate based high-T c superconductors (Y-123 and Bi-2223) and especially development and testing of BaZrO 3 based materials. The formation of YBa 2 Cu 3 O y (Y-123) by a CO 2 -free route involving reaction sintering of stoichiometric mixtures of chemically prepared fine powders of Y 2 BaCuO 5 , BaCuO 2 and CuO have been studied by thermal and XRD analysis. The synthesis and sintering of BaZrO 3 powders prepared by the hydroxide-alkoxide-methanol sol-gel route have been studied. The phase relations in the system BaO-Y 2 O 3 -ZrO 2 have been studied to determine the solid solubility limits for the perovskite phase Ba X Y Y Zr Z O N (X+X+Z=3) at 1500 deg. C. In the binary system Y 2 O 3 -BaZrO 3 the solubility limit was found to be ≅19 mol% Y 2 O 3 , i.e. Ba 0.81 Y 0. 4 2 Zr 0.81 O 3 . along the joint BaYO 2.5 -Ba the boundary was determined to be at BaY 0.21 Zr 0 . 79 O 2.895 . evidence for a new solid solution series between Ba 3 Y 4 O 9 and ZrO 2 are given, and a partial 1500 deg. C phase diagram for the ternary system BaO-Y 2 O 3 -ZrO 2 is presented. The growth of BaZrO 3 single crystals have been attempted both by a laser zone floating technique and flux methods. The compatibility between YBa 2 Cu 3 O 7 -X and BaZrO 3 , Ba X Y Y Zr Z O 3-δ as well as BaHfO 3 have been studied at 950 deg. and 1050 deg. C. The results show the four most promising candidates as support materials for fabrication of YBa 2 Cu 3 O y to be BaHfO 3 , BaY 0.05 Zr 0.95 O 2.975 , , BaZrO 3 and BaY 0.1 Zr 0.9 O 2.95 . (EG)

  19. Laser photoelectron spectrometry of Sc- and Y-

    International Nuclear Information System (INIS)

    Feigerle, C.S.; Herman, Z.; Lineberger, W.C.

    1981-01-01

    The photoelectron spectra of Sc - and Y - have been obtained in a crossed ion- and laser-beam experiment. Analysis of the Sc - spectrum yields two bound terms of 3d4s 2 4p configuration ( 1 D 0 and 3 D 0 ), with EA(Sc) = 0.189 +- 0.020 eV and an excited-state binding energy of 0.042 +- 0.020 eV. Similarly, the (4d5s 2 5p) 1 D 0 ground state of Y - is bound by 0.308 +- 0.012 eV and a (4d5s 2 5p) 3 D 0 excited term is bound by 0.165 +- 0.025 eV. With the determination of the bound electronic configuration of Sc - as 3d4s 2 4p, the order of filling of electron shells of the first transition series negative ions is found to be 4s 2 ep, 3d4s 2 4p, the order of filling of electron shells of the first transition series negative ions is found to be 4s 2 4p, 3d4s 2 4p, followed by 3dsup(k) 4s 2 (k = 3, 4, ..., 10). (orig.)

  20. Final Scientific Report: DE-SC0008580

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, Gerald T. [Univ. of Washington, Seattle, WA (United States)

    2017-03-16

    We report scientific, technical, and organizational accomplishments under DE-SC0008580. This includes 10 publications, 5 patent or provisional patent applications, beamtime with important results at both LCLS and APS, and new progress in understanding target design for x-ray heating experiments at x-ray heating facilities.

  1. The Synchrocyclotron (SC) in building 300

    CERN Multimedia

    Maximilien Brice

    2012-01-01

    The red magnet of CERN's first accelerator, the Synchrocyclotron (SC), has occupied a large part of Hall 300 since it was installed in the late 1950s. The remaining part of the 300-square-metre building has been used as a storage room since the accelerator was shut down in 1990. Now a public exhibition will breathe new life into the hall.

  2. Magnet measuring equipment of SC2

    CERN Multimedia

    CERN PhotoLab

    1974-01-01

    Checking the positioning of the magnet measuring equipment installed between the poles of SC2. The steel structure in front of the magnet is designed to house the rotary condenser and to shield it from the stray magnetic field of the accelerator.

  3. Magnet measuring equipment of SC2

    CERN Multimedia

    1974-01-01

    Checking the positioning of the magnet measuring equipment installed between the poles of SC2. The steel structure in front of the magnet is designed to house the rotary condenser and to shield it from the stray magnetic field of the accelerator. On the left, Marinus van Gulik. (See Photo Archive 7402005 and Annual Report 1974, p. 44.)

  4. Knowledge insufficient: the management of haemoglobin SC disease.

    Science.gov (United States)

    Pecker, Lydia H; Schaefer, Beverly A; Luchtman-Jones, Lori

    2017-02-01

    Although haemoglobin SC (HbSC) accounts for 30% of sickle cell disease (SCD) in the United States and United Kingdom, evidence-based guidelines for genotype specific management are lacking. The unique pathology of HbSC disease is complex, characterized by erythrocyte dehydration, intracellular sickling and increased blood viscosity. The evaluation and treatment of patients with HbSC is largely inferred from studies of SCD consisting mostly of haemoglobin SS (HbSS) patients. These studies are underpowered to allow definitive conclusions about HbSC. We review the pathophysiology of HbSC disease, including known and potential differences between HbSS and HbSC, and highlight knowledge gaps in HbSC disease management. Clinical and translational research is needed to develop targeted treatments and to validate management recommendations for efficacy, safety and impact on quality of life for people with HbSC. © 2016 John Wiley & Sons Ltd.

  5. Lifetime of the first excited 2{sup +} state in {sup 172}Hf and {sup 174}Hf

    Energy Technology Data Exchange (ETDEWEB)

    Gerst, Rosa-Belle; Stegemann, Simon; Jolie, Jan; Regis, Jean-Marc; Rudigier, Matthias; Saed-Samii, Nima; Zell, Karl Oskar [Institut fuer Kernphysik, Universitaet zu Koeln, Zuelpicher Str. 77, 50937 Koeln (Germany)

    2014-07-01

    Using the {sup 170}Yb(α,2n) and {sup 172}Yb(α,2n) reactions the lifetimes of the first excited 2{sup +} state in {sup 172}Hf and {sup 174}Hf have been measured in fast-timing experiments using the Cologne Orange-Spectrometer and 6 LaBr{sub 3}(Ce)-Detectors. The lifetimes were obtained analyzing e{sup -}-γ-coincidence time-spectra with the slope method. The new and more precise lifetimes correct existing, outdated lifetimes in nuclear databases. Additionally, the systematics of the B(E2,2{sub 1}{sup +}→0{sub 1}{sup +}) is studied.

  6. Search for chemical separations of the element 106 homologues in HF and HF-HCl media

    International Nuclear Information System (INIS)

    Trubert, D.; Monroy-Guzman, F.; Hussonnois, M.; Brillard, L.; Le Naour, C.; Constantinescu, O.

    1996-01-01

    In order to study the chemical properties of element 263 106 in aqueous media, fast, efficient and reproducible chromatographic separations were tested on its assumed homologous: Mo, W and U. Corroborative static and dynamic off-line experiments have shown that after fixation of these three elements on anion-exchange resin in HF medium, selective elution could be achieved by using suitable concentration of HCl - HF and HCl solutions. Separations of short-lived W isotopes, produced through heavy ion irradiation were also performed on-line. (author). 27 refs., 14 figs

  7. In situ synthesis and formation mechanism of ZrC and ZrB2 by combustion synthesis from the Co-Zr-B4C system

    Directory of Open Access Journals (Sweden)

    Mengxian Zhang

    2015-09-01

    Full Text Available ZrC-ZrB2-based composites were prepared by combustion synthesis (CS reaction from 10 wt.% to 50 wt.% Co-Zr-B4C powder mixtures. With increasing Co contents, the particle sizes of near-spherical ZrC and platelet-like ZrB2 decreased from 1 μm to 0.5 μm and from 5 μm to 2 μm, respectively. In addition, the formation mechanism of ZrC and ZrB2 was explored by the phase transition and microstructure evolution on the combustion wave quenched sample in combination with differential scanning calorimeter analysis. The results showed that the production of ZrC was ascribed to the solid-solid reaction between Zr and C and the precipitation from the Co-Zr-B-C melt, while ZrB2 was prepared from the saturated liquid. The low B concentration in the Co-Zr-B-C liquid and high cooling rate during the CS process led to the presence of Co2B and ZrCo3B2 in the composites. The addition of Co in the Co-Zr-B4C system not only prevented ZrC and ZrB2 particulates from growing, but also promoted the occurrence of ZrC-ZrB2-forming reaction.

  8. Roles of texture of Zr alloys in ZrO{sub 2} film formation and δ-hydride orientation near ZrO{sub 2}/Zr interface

    Energy Technology Data Exchange (ETDEWEB)

    Qin, W.; Szpunar, J.A., E-mail: weq565@mail.usask.ca, E-mail: jerzy.szpunar@usask.ca [Univ. of Saskatchewan, Dept. of Mechanical Engineering, Saskatoon, SK (Canada); Kozinski, J., E-mail: janusz.kozinski@lassonde.yorku.ca [York Univ., Faculty of Science and Engineering, Toronto, ON (Canada)

    2014-07-01

    Oxidation and hydrogen embrittlement are related to formation of cracks and failure of Zr alloys used in nuclear reactor applications. An in-depth understanding of the formation of ZrO{sub 2} film and the hydride precipitation and orientation is important for improving the corrosion resistance of zirconium alloys. In this work a theoretical model is developed to analyze the microstructure of ZrO{sub 2} film formed on Zr alloys and the effect of stress that results from ZrO{sub 2} formation on hydride reorientation in the region near oxide/metal interface. Our work shows that the macroscopic stress produced due to Pilling-Bedworth ratio for ZrO{sub 2}/Zr could lead to the hydride re-orientation in the region near ZrO{sub 2}/Zr interface. Whether or not this effect can occur is dependent on the texture of the zirconium alloys. Control of texture of zirconium alloys can affect the microstructure of ZrO{sub 2} film and can be responsible for change of hydride orientation. (author)

  9. The effect of Sc additions on the microstructure and age hardening behaviour of as cast Al–Sc alloys

    International Nuclear Information System (INIS)

    Costa, S.; Puga, H.; Barbosa, J.; Pinto, A.M.P.

    2012-01-01

    Highlights: ► The Sc effect on the microstructure and ageing behaviour of Al–Sc alloys is studied. ► Cast into copper mould allows the elimination of solution heat treatment. ► Directly aged as cast alloys exhibits higher hardness and precipitation kinetics. ► Sc addition and optimised ageing result in an increase in Al–Sc mechanical properties. -- Abstract: The grain refinement effect and the ageing behaviour of Al–0.5 wt.% Sc, Al–0.7 wt.% Sc, and Al–1 wt.% Sc alloys are studied on the basis of optic microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD) observations and hardness measurements. In Al–Sc alloys the higher grain refinement is observed for Sc contents greater than 0.5 wt.% accompanied by a notorious morphology modification, from coarse columnar grains to a fine perfect equiaxed structure. The as cast structures are characterised by a rich supersaturated solid solution in Sc, that promotes a great age hardening response at 250 °C and 300 °C. The age hardening curves also demonstrate a low overageing kinetics for all the alloys. Although the higher Sc content in solid solution for the alloys with 0.7 and 1 wt.% Sc, the age hardening response of all the Al–Sc alloys remains similar. The direct age hardening response of the as cast Al–0.5 wt.% Sc is shown to be greater than the solutionised and age hardened alloy.

  10. HF Radio Astronomy from a Small Satellite

    Science.gov (United States)

    2016-06-15

    SSC16-XI-03 HF Radio Astronomy from a Small Satellite Frank C. Robey1, Mary Knapp2, Alan J. Fenn1, Mark Silver1, Kerry Johnson1 Frank J. Lind3...frequency end of the electromagnetic spectrum (below 15 MHz) is one of the least explored windows in observational astronomy . Observations at these...pdf. [Accessed: 17-Oct-2015]. 3. G. Hallinan, “The Owens Valley LWA,” in Exascale Radio Astronomy , 2014, vol. 2. 4. C. J. Lonsdale, R. J. Cappallo

  11. High-aspect-ratio HfC nanobelts accompanied by HfC nanowires: Synthesis, characterization and field emission properties

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Song, E-mail: tiansong22@126.com [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China); School of Materials Science and Engineering, Chongqing Jiaotong University, Chongqing 400074 (China); Zhang, Yulei; Ren, Jincui; Qiang, Xinfa; Zhang, Shouyang [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China); Li, Hejun, E-mail: lihejun@nwpu.edu.cn [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China)

    2017-04-30

    Highlights: • HfC naobelts accompanied by HfC nanowires were synthesized by a catalytic CVD method. • HfC nanobelts as a novel structure of HfC ceramic are reported for the first time. • HfC nanobelts have 100–200 μm in lengths and reach up to 10 μm in widths. • The synthesized product is promising field nanoemitters. - Abstract: 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 HfO{sub 2} 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{sup −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.

  12. CORRELATION BETWEEN SEED TESTS AND FIELD EMERGENCE OF TWO MAIZE HYBRIDS (SC704 AND SC500)

    OpenAIRE

    A.A. ALILOO; B. SHOKATI

    2011-01-01

    Early emergence and stand establishment of maize (Zea mays L.) are considered to be the most important yield-contributing factors. The influence of seed vigor on these factors is vital. Therefore, five laboratory tests and field experiment were conducted on basis of a randomized complete block design (RCBD) with five replications in 2011, to evaluate the correlation among the seed vigor tests and field emergence of two maize hybrids (SC704 and SC500). In laboratory tests, differences between ...

  13. Capacitor Property and Leakage Current Mechanism of ZrO2 Thin Dielectric Films Prepared by Anodic Oxidation

    Science.gov (United States)

    Kamijyo, Masahiro; Onozuka, Tomotake; Shinkai, Satoko; Sasaki, Katsutaka; Yamane, Misao; Abe, Yoshio

    2003-07-01

    Polycrystalline ZrO2 thin film capacitors were prepared by anodizing sputter-deposited Zr films. Electrical measurements are performed for the parallel-plate anodized capacitors with an Al-ZrO2-Zr (metal-insulator-metal) structure, and a high capacitance density (0.6 μF/cm2) and a low dielectric loss of nearly 1% are obtained for a very thin-oxide capacitor anodized at 10 V. In addition, the leakage current density of this capacitor is about 1.8 × 10-8 A/cm2 at an applied voltage of 5 V. However, the leakage current is somewhat larger than that of a low-loss HfO2 capacitor. The leakage current density (J) of ZrO2 capacitors as a function of applied electric field (E) was investigated for several capacitors with different oxide thicknesses, by plotting \\ln(J) vs E1/2 curves. As a result, it is revealed that the conduction mechanism is due to the Poole-Frenkel effect, irrespective of the oxide thickness.

  14. Crystal structure and phase stability of AlSc in the near-equiatomic Al–Sc alloy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Juan; Huang, Li; Liang, Yongfeng [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Ye, Feng, E-mail: yefeng@skl.ustb.edu.cn [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Lin, Junpin [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xueyuan Road, Beijing 100083 (China); Shang, Shunli; Liu, Zikui [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802 (United States)

    2015-01-05

    Highlights: • Two lattice structures of equiatomic Al–Sc compounds are confirmed. • Al–Sc phase at Sc 50 at.% has a space group of Pbam. • Al–Sc phase at Sc 55 at.% has a space group of B2. • B2 AlSc is a metastable phase with Sc 50 at.%. • Lattice transition between two compounds is proposed under local thermal stress. - Abstract: Intermetallic compound AlSc is found in the equiatomic Al–Sc binary alloy. The present work indicates that the orthorhombic AlSc with the Au{sub 2}CuZn-type structure can be formed at 50 at.% Sc, while the CsCl-type (B2) AlSc will be formed at 55 at.% Sc. After annealing at 1100 °C, some orthorhombic AlSc grains transit to the B2 structure, and the annealing at lower temperatures leads to the disappearance of B2 phase, indicating that the B2 AlSc is also a metastable phase in the alloy at lower Sc content (<50 at.%). First-principle calculations at 0 K reveal that the orthorhombic AlSc is more stable than the B2 AlSc with the energy difference between them being 5.4 meV/atom. The fast transition between these two phases, which cannot be interpreted by the mechanism of atomic diffusion, was tentatively analyzed by the volume change based on the calculated atomic positions of these two phases.

  15. Ab initio theoretical study of dipole-bound anions of molecular complexes: (HF)3- and (HF)4- anions

    Science.gov (United States)

    Ramaekers, Riet; Smith, Dayle M. A.; Smets, Johan; Adamowicz, Ludwik

    1997-12-01

    Ab initio calculations have been performed to determine structures and vertical electron detachment energy (VDE) of the hydrogen fluoride trimer and tetramer anions, (HF)3- and (HF)4-. In these systems the excess electron is bound by the dipole field of the complex. It was determined that, unlike the neutral complexes which prefer the cyclic structures, the equilibrium geometries of the anions have "zig-zag" shapes. For both complexes the predicted VDEs are positive [210 meV and 363 meV for (HF)3- and (HF)4-, respectively], indicating that the anions are stable systems with respect to the vertical electron detachment. These results were obtained at the coupled-cluster level of theory with single, double and triple excitations [CCSD(T) method; the triple-excitation contribution in this method is calculated approximately using the perturbation approach] with the anion geometries obtained using the second-order Møller-Plesset perturbation theory (MP2) method. The same approach was also used to determine the adiabatic electron affinities (AEA) of (HF)3 and (HF)4. In addition to the electronic contribution, we also calculated the contributions (using the harmonic approximation) resulting from different zero-point vibration energies of the neutral and anionic clusters. The calculations predicted that while the AEA of (HF)3 is positive (44 meV), the AEA for (HF)4 is marginally negative (-16 meV). This suggests that the (HF)3- anion should be a stable system, while the (HF)4- is probably metastable.

  16. Thermoelectric properties of doped BaHfO_3

    International Nuclear Information System (INIS)

    Dixit, Chandra Kr.; Bhamu, K. C.; Sharma, Ramesh

    2016-01-01

    We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO_3 by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO_3 doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO_3 is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO_3 is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

  17. Texture studies of Zr-2

    International Nuclear Information System (INIS)

    Madden, P.K.

    1976-09-01

    Basal pole figures of seven Zr-2 pressure tubes have been determined. The pole figures give texture factors but these do not correlate with the irradiation growth strains observed in SGHWR. Precautions taken in specimen preparation and in pole figure determination are described in detail. It is shown that any point on a pole figure may be unambiguously related to a defined set of coordinate axes in the pressure tube. (author)

  18. The studies of the martensite transformations in a Ti36.5Ni48.5Hf15 alloy

    International Nuclear Information System (INIS)

    Han, S.; Jin, S.; Chinese Academy of Sciences, Beijing; Zou, W.; Zhang, Z.; Yang, D.

    1995-01-01

    In recent years, high temperature shape memory alloy (SMA) has attracted much interest by many groups of researchers. Many kinds of alloys, such as TiNiPd and NiAL alloys were reported to have shape memory effect in high temperatures. But for different kinds of reasons, these alloys were not put to practical use. TiNi alloys have been considered the best shape memory materials until now. Adding a third element whose characteristics are similar to Ti or Ni in TiNi binary alloys can produce a new style SMA, which has been done in many cases. In most circumstances, Ni was substituted and only a few investigations on the TiNi alloys was Ti replaced. But in recent years, many investigators have given more attention to this subject. In 1976, Eckelmeyer showed that Zr was one of the element that can raise the phase transformation temperatures of TiNi alloys. In 1990, Krupp obtained a patent on TiNiZr SMA with high transformation temperatures for TiNi alloys. J.H. Mulder also published his work on TiNiZr alloys in 1992. In their previous work, a new type of high temperature SMA Ti 36.5 Ni 48.5 Hf 15 alloy were investigated in more detail by DSC measurement, TEM and high-resolution observations

  19. Corrosion of high Ni-Cr alloys and Type 304L stainless steel in HNO3-HF

    International Nuclear Information System (INIS)

    Ondrejcin, R.S.; McLaughlin, B.D.

    1980-04-01

    Nineteen alloys were evaluated as possible materials of construction for steam heating coils, the dissolver vessel, and the off-gas system of proposed facilities to process thorium and uranium fuels. Commercially available alloys were found that are satisfactory for all applications. With thorium fuel, which requires HNO 3 -HF for dissolution, the best alloy for service at 130 0 C when complexing agents for fluoride are used is Inconel 690; with no complexing agents at 130 0 C, Inconel 671 is best. At 95 0 C, six other alloys tested would be adequate: Haynes 25, Ferralium, Inconel 625, Type 304L stainless steel, Incoloy 825, and Haynes 20 (in order of decreasing preference); based on composition, six untested alloys would also be adequate. The ions most effective in reducing fluoride corrosion were the complexing agents Zr 4+ and Th 4+ ; Al 3+ was less effective. With uranium fuel, modestly priced Type 304L stainless steel is adequate. Corrosion will be most severe in HNO 3 -HF used occasionally for flushing and in solutions of HNO 3 and corrosion products (ferric and dichromate ions). HF corrosion can be minimized by complexing the fluoride ion and by passivation of the steel with strong nitric acid. Corrosion caused by corrosion products can be minimized by operating at lower temperatures

  20. Nuclear quadrupole interactions in ferroelectric compounds of HF181

    International Nuclear Information System (INIS)

    Kunzler, J.V.

    1971-01-01

    Measurements of nuclear quadrupole interaction constants in perovkite-type compounds of PbHfO 3 , SnhfO 3 , CaHfO 3 e SrHfO 3 have been performed using the perturbed angular correlation technique. A range of fundamental frequencies from 150 to 550 Megaradians persecond was determined. The variation of quadrupole constants has been discussed through the molecular orbital theory

  1. Application of HF Radar in Hazard Management

    Directory of Open Access Journals (Sweden)

    Mal Heron

    2016-01-01

    Full Text Available A review is given of the impact that HF radars are having on the management of coastal hazards. Maps of surface currents can be produced every 10–20 minutes which, in real time, improve navigation safety in restricted areas commonly found near ports and harbours. The time sequence of surface current maps enables Lagrangian tracking of small parcels of surface water, which enables hazard mitigation in managing suspended sediments in dredging, in emergency situations where flotsam and other drifting items need to be found, and in pollution control. The surface current measurement capability is used to assist tsunami warnings as shown by the phased-array data from Chile following the Great Tohoku Earthquake in 2011. The newly launched Tsunami Warning Center in Oman includes a network of phased-array HF radars to provide real-time tsunami monitoring. Wind direction maps can be used to locate the position of cold fronts in the open ocean and to monitor the timing and strength of sea-breeze fronts in key locations.

  2. Hemoglobin C, S-C, and E Diseases

    Science.gov (United States)

    ... quickly than others, resulting in chronic anemia. Hemoglobin C disease Hemoglobin C disease occurs mostly in blacks. ... a common complication of hemoglobin C disease. Hemoglobin S-C disease Hemoglobin S-C disease occurs in people who ...

  3. Cu-Zr-Ag bulk metallic glasses based on Cu8Zr5 icosahedron

    International Nuclear Information System (INIS)

    Xia Junhai; Qiang Jianbing; Wang Yingmin; Wang Qing; Dong Chuang

    2007-01-01

    Based on the cluster line criterion, the Ag addition into the Cu 8 Zr 5 cluster composition is investigated for the search of ternary Cu-Zr-Ag bulk metallic glasses with high glass forming abilities. Two initial binary compositions Cu 0.618 Zr 0.382 and Cu 0.64 Zr 0.36 are selected. The former one corresponds to a deep eutectic point; it is also the composition of the Cu 8 Zr 5 icosahedron, which is derived from the Cu 8 Zr 3 structure. The latter one, which can be regarded as the Cu 8 Zr 5 cluster plus a glue atom Cu, is the best glass-forming composition in the Cu-Zr binary system. Two composition lines (Cu 0.618 Zr 0.382 ) 1-x Ag x and (Cu 0.64 Zr 0.36 ) 1-x Ag x are thus constructed in the Cu-Zr-Ag system by linking these two compositions with the third constitute Ag. A series of Cu-Zr-Ag bulk metallic glasses are found with 2-8 at.% Ag contents in both composition lines. The optimum composition (Cu 0.618 Zr 0.382 ) 0.92 Ag 0.08 within the searched region with the highest T g /T l = 0.633, is located along the cluster line (Cu 0.618 Zr 0.382 ) 1-x Ag x , where the deep eutectic Cu 0.618 Zr 0.382 exactly corresponds to the dense packing cluster Cu 8 Zr 5 . The alloying mechanism is discussed in the light of atomic size and electron concentration factors

  4. Design of SC solenoid with high homogeneity

    International Nuclear Information System (INIS)

    Yang Xiaoliang; Liu Zhong; Luo Min; Luo Guangyao; Kang Qiang; Tan Jie; Wu Wei

    2014-01-01

    A novel kind of SC (superconducting) solenoid coil is designed to satisfy the homogeneity requirement of the magnetic field. In this paper, we first calculate the current density distribution of the solenoid coil section through the linear programming method. Then a traditional solenoid and a nonrectangular section solenoid are designed to produce a central field up to 7 T with a homogeneity to the greatest extent. After comparison of the two solenoid coils designed in magnet field quality, fabrication cost and other aspects, the new design of the nonrectangular section of a solenoid coil can be realized through improving the techniques of framework fabrication and winding. Finally, the outlook and error analysis of this kind of SC magnet coil are also discussed briefly. (authors)

  5. LHCb Data Replication During SC3

    CERN Multimedia

    Smith, A

    2006-01-01

    LHCb's participation in LCG's Service Challenge 3 involves testing the bulk data transfer infrastructure developed to allow high bandwidth distribution of data across the grid in accordance with the computing model. To enable reliable bulk replication of data, LHCb's DIRAC system has been integrated with gLite's File Transfer Service middleware component to make use of dedicated network links between LHCb computing centres. DIRAC's Data Management tools previously allowed the replication, registration and deletion of files on the grid. For SC3 supplementary functionality has been added to allow bulk replication of data (using FTS) and efficient mass registration to the LFC replica catalog.Provisional performance results have shown that the system developed can meet the expected data replication rate required by the computing model in 2007. This paper details the experience and results of integration and utilisation of DIRAC with the SC3 transfer machinery.

  6. Hf isotope evidence for a hidden mantle reservoir

    DEFF Research Database (Denmark)

    Bizzarro, Martin; Simonetti, A.; Stevenson, R.K.

    2002-01-01

    High-precision Hf isotopic analyses and U-Pb ages of carbonatites and kimberlites from Greenland and eastern North America, including Earth's oldest known carbonatite (3 Ga), indicate derivation from an enriched mantle source. This previously unidentified mantle reservoir-marked by an unradiogenic...... Hf isotopic composition and preserved in the deep mantle for at least 3 b.y.-may account for the mass imbalance in Earth's Hf-Nd budget. The Hf isotopic data presented here support a common mantle source region and genetic link between carbonatite and some oceanic-island basalt volcanoes....

  7. Microstructural characterization of as-cast hf-b alloys

    Directory of Open Access Journals (Sweden)

    João Carlos Jânio Gigolotti

    2012-04-01

    Full Text Available An accurate knowledge of several metal-boron phase diagrams is important to evaluation of higher order systems such as metal-silicon-boron ternaries. The refinement and reassessment of phase diagram data is a continuous work, thus the reevaluation of metal-boron systems provides the possibility to confirm previous data from an investigation using higher purity materials and better analytical techniques. This work presents results of rigorous microstructural characterization of as-cast hafnium-boron alloys which are significant to assess the liquid composition associated to most of the invariant reactions of this system. Alloys were prepared by arc melting high purity hafnium (minimum 99.8% and boron (minimum 99.5% slices under argon atmosphere in water-cooled copper crucible with non consumable tungsten electrode and titanium getter. The phases were identified by scanning electron microscopy, using back-scattered electron image mode and X-ray diffraction. In general, a good agreement was found between our data and those from the currently accepted Hafnium-Boron phase diagram. The phases identified are αHfSS and B-RhomSS, the intermediate compounds HfB and HfB2 and the liquide L. The reactions are the eutectic L ⇔ αHfSS + HfB and L ⇔ HfB2 + B-Rhom, the peritectic L + HfB2 ⇔ HfB and the congruent formation of HfB2.

  8. SC*994C>T causes the Sc(null) phenotype in Pacific Islanders and successful transfusion of Sc3+ blood to a patient with anti-Sc3.

    Science.gov (United States)

    Reid, Marion E; Hue-Roye, Kim; Velliquette, Randall W; Larimore, Kathleen; Moscarelli, Sue; Ohswaldt, Nicolas; Lomas-Francis, Christine

    2013-01-01

    Antigens in the SC blood group system are expressed by the human erythrocyte membrane-associated protein (ERMAP).Two molecular bases have been reported for the Sc,un phenotype:SC*307del2 and SC*994C>T. We report our investigation of the molecular background of five Sc,n1 individuals from the Pacific Islands and describe the successful transfusion of Sc3+ blood to a patient with anti-Sc3 in her plasma. SC (ERMAP) exons 2,3, and 12 and their flanking intronic regions were analyzed. TheSC*994C>T change introduces a restriction enzyme cleavage site for Tsp45I, and polymerase chain reaction (PCR) products from exon 12 were subjected to this PCR-restriction fragment length polymorphism (RFLP) assay. The five samples had the variant SC*994T/T. One sample, from a first cousin of one Marshallese proband, was heterozygous for SC*1514C/T (in the 3' untranslated region); the other four samples were SC*1514C/C(consensus sequence). Samples from white donors (n = 100) and African American donors (n = 99) were tested using the Tsp45IPCR-RFLP assay; all gave a banding pattern that was consistent with the SC*994C/C consensus sequence. In all five samples,our analyses showed homozygosity for the nonsense nucleotide change SC*994C>Tin an allele carrying the nucleotide associated with SLd. Further investigation determined that one of the probands reported previously with the SC*994C>T change was from the Marshall Islands (which form part of the Micronesian Pacific Islands) and the other was from an unspecified location within the large collection of Pacific Islands. Taken together, the five known probands with the SC*994C>T silencing nucleotide change were from the Pacific Islands.

  9. High-temperature x-ray diffraction study of HfTiO4-HfO2 solid solutions

    International Nuclear Information System (INIS)

    Carpenter, D.A.

    1975-01-01

    High-temperature x-ray diffraction techniques were used to determine the axial thermal expansion curves of HfTiO 4 -HfO 2 solid solutions as a function of composition. Data show increasing anisotropy with increasing HfO 2 content. An orthorhombic-to-monoclinic phase transformation was detected near room temperature for compositions near the high HfO 2 end of the orthorhombic phase field and for compositions within the two-phase region (HfTiO 4 solid solution plus HfO 2 solid solution). An orthorhombic-to-cubic phase transformation is indicated by data from oxygen-deficient materials at greater than 1873 0 K. (U.S.)

  10. The SC gets ready for visitors

    CERN Multimedia

    Antonella Del Rosso

    2012-01-01

    Hall 300, which houses the Synchrocyclotron (SC), CERN’s first accelerator, is getting ready to host a brand-new exhibition. The site will be one of the stops on the new visit itineraries that will be inaugurated for the 2013 CERN Open Day.   The Synchrocyclotron through the years. Just as it did in the late 1950s, when the accelerator was first installed, the gigantic red structure of the Synchrocyclotron's magnet occupies a large part of the 300-square-metre hall. “We have completed the first phase of the project that will give the SC a new lease of life,” says Marco Silari, the project leader and a member of CERN’s Radiation Protection Group. “We have removed all the equipment that was not an integral part of the accelerator. The hall is now ready for the civil-engineering work that will precede the installation of the exhibition.” The SC was witness to a big part of the history of CERN. The accelerator produced ...

  11. Growth hormone receptor antagonist transgenic mice are protected from hyperinsulinemia and glucose intolerance despite obesity when placed on a HF diet.

    Science.gov (United States)

    Yang, Tianxu; Householder, Lara A; Lubbers, Ellen R; List, Edward O; Troike, Katie; Vesel, Clare; Duran-Ortiz, Silvana; Kopchick, John J; Berryman, Darlene E

    2015-02-01

    Reduced GH levels have been associated with improved glucose metabolism and increased longevity despite obesity in multiple mouse lines. However, one mouse line, the GH receptor antagonist (GHA) transgenic mouse, defies this trend because it has reduced GH action and increased adiposity, but glucose metabolism and life span are similar to controls. Slight differences in glucose metabolism and adiposity profiles can become exaggerated on a high-fat (HF) diet. Thus, in this study, male and female GHA and wild-type (WT) mice in a C57BL/6 background were placed on HF and low-fat (LF) diets for 11 weeks, starting at 10 weeks of age, to assess how GHA mice respond to additional metabolic stress of HF feeding. On a HF diet, all mice showed significant weight gain, although GHA gained weight more dramatically than WT mice, with males gaining more than females. Most of this weight gain was due to an increase in fat mass with WT mice increasing primarily in the white adipose tissue perigonadal depots, whereas GHA mice gained in both the sc and perigonadal white adipose tissue regions. Notably, GHA mice were somewhat protected from detrimental glucose metabolism changes on a HF diet because they had only modest increases in serum glucose levels, remained glucose tolerant, and did not develop hyperinsulinemia. Sex differences were observed in many measures with males reacting more dramatically to both a reduction in GH action and HF diet. In conclusion, our findings show that GHA mice, which are already obese, are susceptible to further adipose tissue expansion with HF feeding while remaining resilient to alterations in glucose homeostasis.

  12. Determination of Sc and Th in ScI3-NaI-ThI4 sample

    International Nuclear Information System (INIS)

    Yuan Hui; Yang Zhihong

    1999-01-01

    Determination of Sc and Th in ScI 3 -NaI-ThI 4 sample is studied by X-ray fluorescence and complexometry. The effect of working condition of Sc on X-ray fluorescence spectrometer and different sample-making method on the determination of Sc and Th are studied experimentally. The X-ray fluorescence analysis of determination of Sc and Th is developed by polyester film sample-making technique, the measuring precision of Sc and Th is better than 4%. The effect of acidity and temperature on the determining end point of titration is obvious. The results of different complexometric methods are compared. The precision of Sc and Th is less than 2% by comlexometry, it is fit for the routine analysis of ScI 3 -NaI-ThI 4 sample

  13. Simultaneous analysis of rotational and vibrational-rotational spectra of DF and HF to obtain irreducible molecular constants for HF

    International Nuclear Information System (INIS)

    Horiai, Koui; Uehara, Hiromichi

    2011-01-01

    Graphical abstract: Available rotational and vibrational-rotational spectral lines of DF and HF are analyzed simultaneously using a non-Born-Oppenheimer effective Hamiltonian. Research highlights: → Simultaneous analysis of DF and HF spectral data. → Application of a non-Born-Oppenheimer effective Hamiltonian. → Twenty irreducible molecular constants for HF have been determined. - Abstract: Analytic expressions of corrections for the breakdown of the Born-Oppenheimer approximation to Dunham's Y ij with optimal parameters, i.e., determinable clusters of expansion coefficients, are applied to a data analysis of the rotational and vibrational-rotational transitions of HF reported in the literature. All the available spectral lines of the two isotopologues, DF and HF, are simultaneously fitted to a single set of molecular parameters of HF within experimental errors. Fitting of a data set of 595 spectral transitions for DF and HF has generated only 20 minimal independent parameter values, i.e., 'irreducible' molecular constants of HF, that are sufficient to precisely generate 82 Y ij coefficients and 144 band constants in total: 41 Y ij and 72 band constants each for DF and HF.

  14. Utilization of antenna arrays in HF systems

    Directory of Open Access Journals (Sweden)

    Louis Bertel

    2009-06-01

    Full Text Available

    Different applications of radio systems are based on the implementation of antenna arrays. Classically, radio direction

    finding operates with a multi channel receiving system connected to an array of receiving antennas. More

    recently, MIMO architectures have been proposed to increase the capacity of radio links by the use of antenna

    arrays at both the transmitter and receiver.

    The first part of this paper describes some novel experimental work carried out to examine the feasibility of applying

    MIMO techniques for communications within the HF radio band. A detailed correlation analysis of a variety

    of different antenna array configurations is presented. The second section of the paper also deals with HF

    MIMO communications, focusing on the problem from a modelling point of view. The third part presents a sensitivity

    analysis of different antenna array structures for HF direction finding applications. The results demonstrate

    that when modelling errors, heterogeneous antenna arrays are more robust in comparison to homogeneous structures


  15. Excellent superplasticity and deformation mechanism of Al–Mg–Sc–Zr alloy processed via simple free forging

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Y.L. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Xu, G.F., E-mail: csuxgf660302@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Laboratory of Nonferrous Materials Science and Engineering of Ministry of Education, Central South University, Changsha 410083, China. (China); Xiao, D.; Zhou, L.Q. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Deng, Y.; Yin, Z.M. [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Laboratory of Nonferrous Materials Science and Engineering of Ministry of Education, Central South University, Changsha 410083, China. (China)

    2015-01-29

    A refined microstructure of Al–Mg–Sc–Zr alloy with an average grain size of ∼3.7 μm and a portion of high angle boundaries of 69.2% was produced by free forging. Excellent superplastic ductility of ≥500% was achieved at a wide temperature range of 450∼500 °C and relatively high strain rate range of 1×10{sup −3}∼5×10{sup −2} s{sup −1} in the Al–Mg–Sc–Zr alloy. A maximum elongation of 1593% was obtained at 475 °C and 1×10{sup −3} s{sup −1}. Moreover, the electron back scattered diffraction (EBSD) and the transmission electron microscopy (TEM) analyses showed that the excellent superplasticity can be attributed to the high fraction of high angle grain boundaries and the presence of Al{sub 3}(Sc,Zr) dispersoids in the Al–Mg–Sc–Zr alloy microstructure. The analyses on the superplastic data revealed the presence of threshold stress, the coefficient of strain rate sensitivity of 0.5, and an activation energy of 83.9 kJ/mol{sup –1}. It indicated that the dominant deformation mechanism was grain boundary sliding. Based on this notion, a constitutive equation for Al–Mg–Sc–Zr alloy has been developed.

  16. Measurement for commercial exposives with SC-DSC test. Sangyoyo bakuhayaku no SC-DSC sokutei

    Energy Technology Data Exchange (ETDEWEB)

    Yabashi, H.; Wada, Y.; Hwang, D.; Akutsu, Y.; Tamura, M.; Yoshida, T. (The University of Tokyo, Tokyo (Japan). Faculty of Engineering); Matsuzawa, T. (Nippon Kayaku Co. Ltd., Tokyo (Japan))

    1991-08-30

    The sealed cell differential scanning calorimetry (SC-DSC) was sintroduced of commercial blasting explosives. As a series of testing the commercial blasting explosives in performance, an SC-DSC test was made to compare the critical detonability line with that resulting therefrom. From the result of SC-DSC measurement, the critical dilution rate was estimated of commercial blasting explosives to become without detonating propagation. As a result, all the explosives with exception of ANFO one were assumed to have a possibility of detonating propagation so that the ANFO explosive was known to be material, unable to exactly evaluate the detonability by the SC-DSC test. The explosion heat, then calculated by the REITP2 in order to assume how the reaction proceeded in the DSC cell, was compared with the reaction heat measured by the SC-DSC test. As a result, the calculated value was known to be almost equal to or slightly larger than the measured one. 15 refs., 4 figs., 2 tabs.

  17. Thermodynamic modeling of the Pt-Zr system

    International Nuclear Information System (INIS)

    Gao Yongliang; Guo Cuiping; Li Changrong; Du Zhenmin

    2010-01-01

    By means of the CALPHAD (CALculation of PHAse Diagram) technique, the Pt-Zr system was critically assessed. The solution phases (liquid, bcc, fcc and hcp) are described with the substitutional model. The intermetallic compounds Pt 4 Zr, Pt 4 Zr 3 , αPtZr and Pt 3 Zr 5 are treated as the formula (Pt,Zr) m (Pt,Zr) n by a two-sublattice model with the elements Pt and Zr on the first and the second sublattices, respectively. A two-sublattice model (Pt,Zr) 0.5 (Pt,Zr) 0.5 is applied to describe the compound βPtZr with CsCl-type structure (B2) in order to cope with the order-disorder transition between bcc solution (A2) and βPtZr (B2). Another two-sublattice model (Pt,Zr) 0.75 (Pt,Zr) 0.25 with Ni 3 Ti-type structure (D0 24 ) is applied to describe the compound Pt 3 Zr in order to cope with the order-disorder transition between hexagonal close-packed (A3) and Pt 3 Zr (D0 24 ). The compound Pt 10 Zr 7 is treated as a stoichiometric compound. A set of self-consistent thermodynamic parameters of the Pt-Zr system was obtained. (orig.)

  18. Nuclear orientation of 9597Nb and 95Zr in ZrFe2

    International Nuclear Information System (INIS)

    Krane, K.S.; Olsen, C.E.; Rosenblum, S.S.; Steyert, W.A.

    1976-01-01

    The angular distribution anisotropies of γ rays were measured following the decays of 95 , 97 Nb and 95 Zr oriented at low temperatures in the ferromagnetic Laves phase compound ZrFe 2 . The magnetic hyperfine field of Nb in ZrFe 2 was deduced to be 9.4+-1.6 T; that of Zr in ZrFe 2 was estimated to be 15+-4 T. The nuclear magnetic moment of 97 Nb was deduced to be μ = (7.5+-1.4) μ/subN/

  19. States in 94Zr from 94Zr(d,d')94Zr* at 15.5 Mev

    International Nuclear Information System (INIS)

    Frota-Pessoa, E.; Joffily, S.

    1986-01-01

    94 energy levels up to approx. 4.3 Mev excitation energy are studied in the 94 Zr(d,d') 94 Zr* reaction. Deuterons had a bombarding energy of 15.5 MeV. The emergent deuterons were analysed by a magnetic spectrograph and the detector was nuclear emulsion. The resolution in energy was about 11 KeV. The distorted-wave analysis was used to determine the l transferred, the β 2 l and J Π values for some 94 Zr excited states. These results are compared with previous ones. 32 levels of excitation energy in 94 Zr were found which did not appear in previous 94 Zr(d,d') reactions. 20 levels do not correspond to the ones. (Author) [pt

  20. Direct currents produced by hf heating of plasma

    International Nuclear Information System (INIS)

    Klima, R.

    1974-01-01

    In addition to the well-known diffusion currents, toroidal direct currents arise in h.f. heated plasmas as a result of a momentum transfer from the h.f. field to plasma particles. The estimates of steady-state conditions are given for these currents. Particularly, the possibility of stationary operation of a Tokamak device is analyzed. (author)

  1. Lu-Hf and Sm-Nd garnet geochronology

    DEFF Research Database (Denmark)

    Smit, Matthijs Arjen; Scherer, Erik E.; Mezger, Klaus

    2013-01-01

    To investigate the systematics of the 176Lu–176Hf and 147Sm–143Nd garnet chronometers, we performed REE and isotope analyses on garnet crystals of different size (0.55–3.1 mm radius) from a single granulite specimen (Archean Pikwitonei Granulite Domain, Manitoba, Canada). The Lu–Hf dates are simi...

  2. Zr inclusions in actinide—Zr alloys: New data and ideas about how they form

    International Nuclear Information System (INIS)

    Janney, Dawn E.; O'Holleran, Thomas P.

    2015-01-01

    High-Zr inclusions are common in actinide—Zr alloys despite phase diagrams indicating that these alloys should not contain a high-Zr phase. The inclusions may contain enough Zr to cause significant differences between bulk compositions and those of inclusion-free areas, leading to possible errors in interpreting data if the inclusions are not considered. This paper presents data from high-Zr inclusions in a complex U—Np—Pu—Am—Zr—RE alloy. It is suggested that the high-Zr inclusions nucleated as high-Zr solid solutions at interfaces with high-actinide RE liquids, then unmixed to form nanometer-scale high-actinide sub-inclusions.

  3. Microstructural evolution of Ni40Zr60 alloy during early stage of mechanical alloying of intermetallic compounds NiZr2 and Ni11Zr9

    International Nuclear Information System (INIS)

    Lee Peeyew; Koch, C.C.

    1994-01-01

    The microstructural change of Ni 40 Zr 60 alloy during mechanical alloying of mixtures of the intermetallic compounds NiZr 2 and Ni 11 Zr 9 has been studied by transmission electron microscopy. A specific ''cauliflower'' phase was formed during early stage of mechanical alloying process. It is suggested that the solid state reaction between intermetallic compounds NiZr 2 and Ni 11 Zr 9 is not the only origin for the formation of the ''cauliflower'' phase. ((orig.))

  4. Synthesis of Zr2WP2O12/ZrO2 Composites with Adjustable Thermal Expansion

    Directory of Open Access Journals (Sweden)

    Zhiping Zhang

    2017-11-01

    Full Text Available Zr2WP2O12/ZrO2 composites were fabricated by solid state reaction with the goal of tailoring the thermal expansion coefficient. XRD, SEM and TMA were used to investigate the composition, microstructure, and thermal expansion behavior of Zr2WP2O12/ZrO2 composites with different mass ratio. Relative densities of all the resulting Zr2WP2O12/ZrO2 samples were also tested by Archimedes' methods. The obtained Zr2WP2O12/ZrO2 composites were comprised of orthorhombic Zr2WP2O12 and monoclinic ZrO2. As the increase of the Zr2WP2O12, the relative densities of Zr2WP2O12/ZrO2 ceramic composites increased gradually. The coefficient of thermal expansion of the Zr2WP2O12/ZrO2 composites can be tailored from 4.1 × 10−6 K−1 to −3.3 × 10−6 K−1 by changing the content of Zr2WP2O12. The 2:1 Zr2WP2O12/ZrO2 specimen shows close to zero thermal expansion from 25 to 700°C with an average linear thermal expansion coefficient of −0.09 × 10−6 K−1. These adjustable and near zero expansion ceramic composites will have great potential application in many fields.

  5. Synthesis of Zr2WP2O12/ZrO2 Composites with Adjustable Thermal Expansion.

    Science.gov (United States)

    Zhang, Zhiping; Sun, Weikang; Liu, Hongfei; Xie, Guanhua; Chen, Xiaobing; Zeng, Xianghua

    2017-01-01

    Zr 2 WP 2 O 12 /ZrO 2 composites were fabricated by solid state reaction with the goal of tailoring the thermal expansion coefficient. XRD, SEM and TMA were used to investigate the composition, microstructure, and thermal expansion behavior of Zr 2 WP 2 O 12 /ZrO 2 composites with different mass ratio. Relative densities of all the resulting Zr 2 WP 2 O 12 /ZrO 2 samples were also tested by Archimedes' methods. The obtained Zr 2 WP 2 O 12 /ZrO 2 composites were comprised of orthorhombic Zr 2 WP 2 O 12 and monoclinic ZrO 2 . As the increase of the Zr 2 WP 2 O 12 , the relative densities of Zr 2 WP 2 O 12 /ZrO 2 ceramic composites increased gradually. The coefficient of thermal expansion of the Zr 2 WP 2 O 12 /ZrO 2 composites can be tailored from 4.1 × 10 -6 K -1 to -3.3 × 10 -6 K -1 by changing the content of Zr 2 WP 2 O 12 . The 2:1 Zr 2 WP 2 O 12 /ZrO 2 specimen shows close to zero thermal expansion from 25 to 700°C with an average linear thermal expansion coefficient of -0.09 × 10 -6 K -1 . These adjustable and near zero expansion ceramic composites will have great potential application in many fields.

  6. Oxidation behavior of Zr and its alloys

    International Nuclear Information System (INIS)

    Costa, I.; Ramanathan, L.V.

    1984-01-01

    The environment effect, material composition, thermal treatment and superficial treatment on the oxidation behavior of Zr, Zircaloy-4 and Zr - 2,5% Nb, in the temperature range of 400 - 900 0 C, by thermogravimetry were studied. (E.G.) [pt

  7. Large nonsaturating magnetoresistance and signature of nondegenerate Dirac nodes in ZrSiS.

    Science.gov (United States)

    Singha, Ratnadwip; Pariari, Arnab Kumar; Satpati, Biswarup; Mandal, Prabhat

    2017-03-07

    Whereas the discovery of Dirac- and Weyl-type excitations in electronic systems is a major breakthrough in recent condensed matter physics, finding appropriate materials for fundamental physics and technological applications is an experimental challenge. In all of the reported materials, linear dispersion survives only up to a few hundred millielectronvolts from the Dirac or Weyl nodes. On the other hand, real materials are subject to uncontrolled doping during preparation and thermal effect near room temperature can hinder the rich physics. In ZrSiS, angle-resolved photoemission spectroscopy measurements have shown an unusually robust linear dispersion (up to [Formula: see text]2 eV) with multiple nondegenerate Dirac nodes. In this context, we present the magnetotransport study on ZrSiS crystal, which represents a large family of materials ( WHM with W = Zr, Hf; H = Si, Ge, Sn; M = O, S, Se, Te) with identical band topology. Along with extremely large and nonsaturating magnetoresistance (MR), [Formula: see text]1.4 [Formula: see text] 10 5 % at 2 K and 9 T, it shows strong anisotropy, depending on the direction of the magnetic field. Quantum oscillation and Hall effect measurements have revealed large hole and small electron Fermi pockets. A nontrivial [Formula: see text] Berry phase confirms the Dirac fermionic nature for both types of charge carriers. The long-sought relativistic phenomenon of massless Dirac fermions, known as the Adler-Bell-Jackiw chiral anomaly, has also been observed.

  8. Oxidation study of Ta–Zr coatings

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yung-I, E-mail: yichen@mail.ntou.edu.tw; Chen, Sin-Min

    2013-02-01

    Refractory metal alloy coatings, such as Mo–Ru and Ta–Ru coatings, have been developed to protect glass molding dies. Forming intermetallic compounds in the coatings inhibits grain growth in high temperature environments when mass producing optical components. After annealing in oxygen containing atmospheres, a surface roughening of the Mo–Ru coatings and a soft oxide layer on the Ta–Ru coatings have been observed in our previous works. Oxidation resistance becomes critical in high-temperature applications. In this study, Ta–Zr coatings were deposited with a Ti interlayer on silicon wafers using direct current magnetron sputtering at 400 °C. The as-deposited Ta–Zr coatings possessed nanocrystallite or amorphous states, depending on the chemical compositions. The annealing treatments were conducted at 600 °C under atmospheres of 50 ppm O{sub 2}–N{sub 2} or 1% O{sub 2}–Ar, respectively. After the annealing treatment, this study investigated variations in crystalline structure, hardness, surface roughness, and chemical composition profiles. Preferential oxidation of Zr in the Ta–Zr coatings was verified using X-ray photoelectron spectroscopy, and the microstructure was observed using transmission electron microscopy. - Highlights: ►The as-deposited Ta-rich Ta–Zr coatings revealed an amorphous structure. ►The Zr-rich coatings presented a crystalline β-Zr phase and an amorphous matrix. ►Zr oxidized preferentially as Ta–Zr coatings annealed at 600 °C. ►The hardness of coatings revealed a parabolic relationship with the oxygen content. ►A protective oxide scale formed on the surface of the crystallized Zr-rich coatings.

  9. On the Comparative Performance Analysis of Turbo-Coded Non-Ideal Sigle-Carrier and Multi-Carrier Waveforms over Wideband Vogler-Hoffmeyer HF Channels

    Directory of Open Access Journals (Sweden)

    F. Genc

    2014-09-01

    Full Text Available The purpose of this paper is to compare the turbo-coded Orthogonal Frequency Division Multiplexing (OFDM and turbo-coded Single Carrier Frequency Domain Equalization (SC-FDE systems under the effects of Carrier Frequency Offset (CFO, Symbol Timing Offset (STO and phase noise in wide-band Vogler-Hoffmeyer HF channel model. In mobile communication systems multi-path propagation occurs. Therefore channel estimation and equalization is additionally necessary. Furthermore a non-ideal local oscillator generally is misaligned with the operating frequency at the receiver. This causes carrier frequency offset. Hence in coded SC-FDE and coded OFDM systems; a very efficient, low complex frequency domain channel estimation and equalization is implemented in this paper. Also Cyclic Prefix (CP based synchronization synchronizes the clock and carrier frequency offset.The simulations show that non-ideal turbo-coded OFDM has better performance with greater diversity than non-ideal turbo-coded SC-FDE system in HF channel.

  10. Development of a high temperature high strength Al alloy by addition of small amounts of Sc and Mg to 2219 alloy

    Energy Technology Data Exchange (ETDEWEB)

    Mondol, S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Alam, T.; Banerjee, R. [Advanced Materials and Manufacturing Processes Institute and Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203-5017 (United States); Kumar, S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Chattopadhyay, K., E-mail: kamanio@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India)

    2017-02-27

    The paper reports a significant improvement in tensile properties, in particular at 200 °C, of commercial 2219 Al alloy by addition of small amounts of Sc (0.8 wt%) and Mg (0.45 wt%), and employing copper mould suction casting followed by natural ageing and cold rolling. Microstructural examination and measurement of hardness were performed in order to explain the effects of Sc and Mg at each processing step. It is found that the remarkable improvement of room temperature strength occurs due to fine grain size, Al{sub 3}Sc and Al{sub 3}(Sc,Zr) dispersoids, GP zones on {100} and {111} planes, and work hardening. On exposure at 200 °C, the GP zones transform primarily to θ′ precipitates and a few Ω precipitates. Sc and Mg atoms segregate at the θ′/matrix interface, which suppress the coarsening of θ′ precipitates and make them stable at higher temperatures. Thus, the work reports extremely high 0.2% proof stress of 542 MPa at room temperature, 378 MPa at 200 °C and 495 MPa at room temperature after 200 h exposure at 200 °C accompanied by reasonable ductility. Theoretical yield strength is calculated on the basis of the observed microstructure and is found to be in good agreement with the experimentally obtained value.

  11. Development of a high temperature high strength Al alloy by addition of small amounts of Sc and Mg to 2219 alloy

    International Nuclear Information System (INIS)

    Mondol, S.; Alam, T.; Banerjee, R.; Kumar, S.; Chattopadhyay, K.

    2017-01-01

    The paper reports a significant improvement in tensile properties, in particular at 200 °C, of commercial 2219 Al alloy by addition of small amounts of Sc (0.8 wt%) and Mg (0.45 wt%), and employing copper mould suction casting followed by natural ageing and cold rolling. Microstructural examination and measurement of hardness were performed in order to explain the effects of Sc and Mg at each processing step. It is found that the remarkable improvement of room temperature strength occurs due to fine grain size, Al 3 Sc and Al 3 (Sc,Zr) dispersoids, GP zones on {100} and {111} planes, and work hardening. On exposure at 200 °C, the GP zones transform primarily to θ′ precipitates and a few Ω precipitates. Sc and Mg atoms segregate at the θ′/matrix interface, which suppress the coarsening of θ′ precipitates and make them stable at higher temperatures. Thus, the work reports extremely high 0.2% proof stress of 542 MPa at room temperature, 378 MPa at 200 °C and 495 MPa at room temperature after 200 h exposure at 200 °C accompanied by reasonable ductility. Theoretical yield strength is calculated on the basis of the observed microstructure and is found to be in good agreement with the experimentally obtained value.

  12. Bulk viscosity in 2SC quark matter

    International Nuclear Information System (INIS)

    Alford, Mark G; Schmitt, Andreas

    2007-01-01

    The bulk viscosity of three-flavour colour-superconducting quark matter originating from the nonleptonic process u + s ↔ u + d is computed. It is assumed that up and down quarks form Cooper pairs while the strange quark remains unpaired (2SC phase). A general derivation of the rate of strangeness production is presented, involving contributions from a multitude of different subprocesses, including subprocesses that involve different numbers of gapped quarks as well as creation and annihilation of particles in the condensate. The rate is then used to compute the bulk viscosity as a function of the temperature, for an external oscillation frequency typical of a compact star r-mode. We find that, for temperatures far below the critical temperature T c for 2SC pairing, the bulk viscosity of colour-superconducting quark matter is suppressed relative to that of unpaired quark matter, but for T ∼> T c /30 the colour-superconducting quark matter has a higher bulk viscosity. This is potentially relevant for the suppression of r-mode instabilities early in the life of a compact star

  13. BOOK REVIEW: Assessing Sc1 for GCSE

    Science.gov (United States)

    Reynolds, H.

    2000-01-01

    It is well known that investigations that `fit' the National Curriculum or examination board criteria are few in number. The fair testing emphasis means that pupils all over the country are finding out what affects the rate of a chemical reaction, the rate of photosynthesis or, in the case of Physics, the resistance of a wire. This book focuses on nine of the most common Sc1 investigations and how to prepare for them, manage and assess them. The author, a GCSE examiner, has turned his expertise into a handbook for improving Sc1 performance in the classroom. He has produced a book that would be extremely useful to both newly qualified teachers and experienced teachers. The first aim of the book, however, is to explain the requirements of Sc1. This is done comprehensively with examples of what the jargon means in practice. By breaking down the elements of planning, obtaining evidence, analysing evidence and evaluating, it is easy to see the subtleties of the mark descriptors. At first glance there seems to be little difference between the type of scientific knowledge needed for planning at level 6 and level 8. However, the level 8 statement specifies `detailed' scientific knowledge and understanding, which would mean a student should use equations from physics or symbolic chemical equations to support their arguments. One of the most useful sections in the book details the marking problems that can arise with some investigations. For example, in an investigation into electromagnets it is difficult for students to provide sufficient relevant scientific theory to satisfy the requirements of planning at level 6. One of the problems with Sc1 is that certain requirements, such as graph plotting, are difficult for many students. This book provides exercises that can be given to students to improve those skills. Each of the nine investigations is covered in great detail. Each investigation begins with an introduction detailing the rationale for choosing it, whether students

  14. Aqueous corrosion behaviour of Zr-1 Nb and Zr-20 Nb with different heat treatments

    International Nuclear Information System (INIS)

    Jaime Solis, F.; Bordoni, Roberto; Olmedo, Ana M.; Villegas, Marina; Miyagusuku, Marcela

    2003-01-01

    The corrosion behaviour of Zr-1 Nb and Zr-20 Nb coupons annealed at 850 C degrees during 1 hour and afterwards aged at different temperatures and time periods was studied. The Zr-1 Nb samples were aged at 400 and 500 C degrees and the Zr-20 Nb samples at 265 and 550 C degrees. The results have shown that ageing increases the corrosion resistance because the aged microstructure is somewhat closer to the equilibrium one. This was not the case of Zr-1 Nb aged 72 hs at 400 C degrees. The presence of the ω-phase does not have a deleterious effect in the corrosion behaviour of Zr-20 Nb. Also, an ageing of 2200 h at 265 C degrees induced a relevant decrease in the corrosion rate of Zr-20 Nb indicating a decomposition of the β- Zr phase. This effect was observed at the inlet of pressure tubes in CANDU reactors. The results obtained will be used to establish the relative importance of the α-Zr and β-Zr phases in the corrosion behaviour of pressure tubes. (author)

  15. Enthalpy of mixing of liquid Ni-Zr and Cu-Ni-Zr alloys

    International Nuclear Information System (INIS)

    Witusiewicz, V.T.; Sommer, F.

    2000-01-01

    Since the Al-Cu-Ni-Zr system is a basis for the production of bulk amorphous materials by rapid solidification techniques from the liquid state, it is of great scientific interest to determine the partial and the integral thermodynamic functions of liquid and undercooled liquid alloys. Such data, as was pointed out previously, are important in order to understand their extremely good glass-forming ability in multicomponent metallic systems as well as for processing improvements. In order to measure the thermodynamic properties of the Al-Cu-Ni-Zr quaternary, it is necessary to have reliable thermochemical data for its constituent canaries and ternaries first. In a series of articles, the authors have reported in detail the thermodynamic properties of liquid Al-Cu, Al-Ni, Cu-Ni, Cu-Zr, Al-Zr, Al-Cu-Ni, and Al-Cu-Zr alloys. This article deals with the direct calorimetric measurements of the partial and the integral enthalpies of mixing of liquid Ni-Zr and Cu-Ni-Zr alloys and the heat capacity of liquid Ni 26 Zr 74 . In a subsequent article, the authors will present similar data for the liquid ternary Al-Ni-Zr and for the liquid quaternary Al-Cu-Ni-Zr alloys

  16. Influence of 45S5 Bioglass addition on microstructure and properties of ultrafine grained (Mg-4Y-5.5Dy-0.5Zr) alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, K., E-mail: kamil.kowalski@put.poznan.pl [Institute of Materials Science and Engineering, Poznan University of Technology, Jana Pawla II 24, 61-138 Poznan (Poland); Jurczyk, M.U. [Division of Mother’s and Child’s Health, Poznan University of Medical Sciences, Polna 33, 60-535 Poznan (Poland); Wirstlein, P.K. [Department of Gynecology and Obstetrics, Division of Reproduction, Poznan University of Medical Sciences, Polna 33, 60-535 Poznan (Poland); Jakubowicz, J.; Jurczyk, M. [Institute of Materials Science and Engineering, Poznan University of Technology, Jana Pawla II 24, 61-138 Poznan (Poland)

    2017-05-15

    Highlights: • Ultrafine grained composites were formed by consolidating mechanically alloyed powders. • Mechanical properties were sensitive to the content of 45S5 Bioglass in Mg-4Y-5.5Dy-0.5Zr alloy. • Fluoride treated composites displayed superior corrosion resistance in Ringer solution. • Composites modified with MgF{sub 2} have a higher degree of biocompatibility in comparison with the unmodified reference material. - Abstract: Bulk samples of an ultrafine grained (Mg-4Y-5.5Dy-0.5Zr)-x wt% 45S5 Bioglass (x = 0, 5) and (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass-1 wt% Ag composites have been synthesized by consolidating mechanically alloyed powders. The influence of the chemical composition on the microstructure, mechanical properties and corrosion behavior of bulk composites were studied. The sintering of (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass powders led to the formation of a bulk composite with grain size of approx. 95 nm. The corrosion behavior of Mg-based composites before and after hydrofluoric acid treatment was also investigated. The ultrafine grained (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass composite was more corrosion resistant than the bulk Mg-4Y-5.5Dy-0.5Zr alloy after HF treatment. The in vitro biocompatibility of synthesized composites was evaluated and compared with microcrystalline magnesium. Magnesium, (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass and (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass-1 wt% Ag composites modified with MgF{sub 2} have a higher degree of biocompatibility in comparison with the unmodified reference material.

  17. HF diets increase hypothalamic PTP1B and induce leptin resistance through both leptin-dependent and -independent mechanisms

    Science.gov (United States)

    White, Christy L.; Whittington, Amy; Barnes, Maria J.; Wang, Zhong; Bray, George A.; Morrison, Christopher D.

    2009-01-01

    Protein tyrosine phosphatase 1B (PTP1B) contributes to leptin resistance by inhibiting intracellular leptin receptor signaling. Mice with whole body or neuron-specific deletion of PTP1B are hypersensitive to leptin and resistant to diet-induced obesity. Here we report a significant increase in PTP1B protein levels in the mediobasal hypothalamus (P = 0.003) and a concomitant reduction in leptin sensitivity following 28 days of high-fat (HF) feeding in rats. A significant increase in PTP1B mRNA levels was also observed in rats chronically infused with leptin (3 μg/day icv) for 14 days (P = 0.01) and in leptin-deficient ob/ob mice infused with leptin (5 μg/day sc for 14 days; P = 0.003). When saline-infused ob/ob mice were placed on a HF diet for 14 days, an increase in hypothalamic PTP1B mRNA expression was detected (P = 0.001) despite the absence of circulating leptin. In addition, although ob/ob mice were much more sensitive to leptin on a low-fat (LF) diet, a reduction in this sensitivity was still observed following exposure to a HF diet. Taken together, these data indicate that hypothalamic PTP1B is specifically increased during HF diet-induced leptin resistance. This increase in PTP1B is due in part to chronic hyperleptinemia, suggesting that hyperleptinemia is one mechanism contributing to the development of leptin resistance. However, these data also indicate that leptin is not required for the increase in hypothalamic PTP1B or the development of leptin resistance. Therefore, additional, leptin-independent mechanisms must exist that increase hypothalamic PTP1B and contribute to leptin resistance. PMID:19017730

  18. Phase equilibria in the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K

    Energy Technology Data Exchange (ETDEWEB)

    Han, Feng; Luo, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

    2017-10-15

    The isothermal section of the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K has been experimentally determined. All equilibrated alloys were characterized via X-ray powder diffraction and scanning electron microscopy equipped with energy-dispersive X-ray analysis. A ternary phase Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} was found at 1 173 K. The experimental results show that the isothermal section consists of 11 single-phase regions, 26 two-phase regions and 13 three-phase regions. The existence of eight compounds, i.e. ZrSi{sub 2}, ZrSi, Zr{sub 5}Si{sub 4}, Zr{sub 3}Si{sub 2}, Zr{sub 2}Si, ZrB, ZrB{sub 2} and Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} in this system has been confirmed in the Zr-Si-ZrB{sub 2} region at 1 173 K.

  19. Determination of 93Zr in nuclear power plant wastes

    DEFF Research Database (Denmark)

    Osváth, Szabolcs; Vajda, Nora; Molnar, Zsuzsa

    2017-01-01

    A radioanalytical method (based on separation using UTEVA columns and ICP-MS measurement) has been used for determination of 93Zr in 37 nuclear power plant samples. As 93Nb might affect the detection of 93Zr, Monte Carlo activation model was used to calculate the expected 93Zr/natZr mass ratio...

  20. Interfacial and Electrical Properties of Ge MOS Capacitor by ZrLaON Passivation Layer and Fluorine Incorporation

    Science.gov (United States)

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

    2017-09-01

    Ge Metal-Oxide-Semiconductor (MOS) capacitor with HfTiON/ZrLaON stacked gate dielectric and fluorine-plasma treatment is fabricated, and its interfacial and electrical properties are compared with its counterparts without the ZrLaON passivation layer or the fluorine-plasma treatment. Experimental results show that the sample exhibits excellent performances: low interface-state density (3.7×1011 cm-2eV-1), small flatband voltage (0.21 V), good capacitance-voltage behavior, small frequency dispersion and low gate leakage current (4.41×10-5 A/cm2 at Vg = Vfb + 1V). These should be attributed to the suppressed growth of unstable Ge oxides on the Ge surface during gate-dielectric annealing by the ZrLaON interlayer and fluorine incorporation, thus greatly reducing the defective states at/near the ZrLaON/Ge interface and improving the electrical properties of the device.

  1. Process Simulation Analysis of HF Stripping

    Directory of Open Access Journals (Sweden)

    Thaer A. Abdulla

    2015-02-01

    Full Text Available    HYSYS process simulator is used for the analysis of existing HF stripping column in LAB plant (Arab Detergent Company, Baiji-Iraq. Simulated column performance and profiles curves are constructed. The variables considered are the thermodynamic model option, bottom temperature, feed temperature, and column profiles for the temperature, vapor flow rate, liquid flow rate and composition. The five thermodynamic models options used (Margules, UNIQUAC, van laar, Antoine, and Zudkevitch-Joffee, affecting the results within (0.1-58% variation for the most cases.        The simulated results show that about 4% of paraffin (C10 & C11 presents at the top stream, which may cause a problem in the LAB production plant. The major variations were noticed for the total top vapor flow rate with bottom temperature and with feed composition. The column profiles maintain fairly constants from tray 5 to tray 18. The study gives evidence about a successful simulation with HYSYS because the results correspond with the real plant operation data.

  2. Grindability of cast Ti-Hf alloys.

    Science.gov (United States)

    Kikuchi, Masafumi; Takahashi, Masatoshi; Sato, Hideki; Okuno, Osamu; Nunn, Martha E; Okabe, Toru

    2006-04-01

    As part of our systematic studies characterizing the properties of titanium alloys, we investigated the grindability of a series of cast Ti-Hf alloys. Alloy buttons with hafnium concentrations up to 40 mass% were made using an argon-arc melting furnace. Each button was cast into a magnesia-based mold using a dental titanium casting machine; three specimens were made for each metal. Prior to testing, the hardened surface layer was removed. The specimens were ground at five different speeds for 1 min at 0.98 N using a carborundum wheel on an electric dental handpiece. Grindability was evaluated as the volume of metal removed per minute (grinding rate) and the volume ratio of metal removed compared to the wheel material lost (grinding ratio). The data were analyzed using ANOVA. A trend of increasing grindability was found with increasing amounts of hafnium, although there was no statistical difference in the grindability with increasing hafnium contents. We also found that hafnium may be used to harden or strengthen titanium without deteriorating the grindability.

  3. Time variations of hf induced plasma waves

    International Nuclear Information System (INIS)

    Showen, R.L.

    1976-01-01

    Intense plasma waves are generated by an HF pump wave in an ionospheric heating experiment at the Arecibo Observatory. These plasma waves can be observed as enhancements to the ion and plasma lines of the incoherent backscatter echo. The enhancements can be three or four orders of magnitude more intense than the unenhanced lines, and tend to fluctuate wildly. Both the purely growing and the decay mode parametric instabilities are present. When the pump wave is turned on abruptly the enhancements develop in time in a repeatable manner. A rather remarkable feature on time scales of seconds is an overshoot in instability power. These overshoots occur frequently but not universally and last for 1 to 6 seconds. They can have a magnitude from ten to hundreds of times the average instability level. Field aligned irregularities may be the cause of the overshoots. The overshoots appear definitely related to an unusually rapid rise in measured electron temperature that cannot be understood in terms of ohmic energy deposition. On time scales of milliseconds there is a ''mini-overshoot'' before the growth of the instability to a large value. The spectral details also change in a striking manner. The instabilities can first be detected 2 to 4 msec after the pump wave turn-on. The decay mode is present as well as a broad featureless ''noise bump'', which partially sharpens into a line as time progresses. These changes of the spectra in time seem to run counter to the currently accepted theories of plasma wave saturation

  4. Interdiffusion and reaction between U and Zr

    Science.gov (United States)

    Park, Y.; Newell, R.; Mehta, A.; Keiser, D. D.; Sohn, Y. H.

    2018-04-01

    The microstructural development and diffusion kinetics were examined for the binary U vs. Zr system using solid-to-solid diffusion couples, U vs. Zr, annealed at 580 °C for 960 h, 650 °C for 480 h, 680 °C for 240 h, and 710 °C for 96 h. Scanning and transmission electron microscopies with X-ray energy dispersive spectroscopy were employed for detailed microstructural and compositional analyses. Interdiffusion and reaction in U vs. Zr diffusion couples primarily produced: δ-UZr2 solid solution (hP3) and α‧-U at 580 °C; and (γU,βZr) solid solution (cI2) and α‧-U at 650°, 680° and 710 °C. The α‧-phase was confirmed as a reduced variant of the α-U orthorhombic structure with lattice parameters, a × b × c = 2.65 × 5.40 × 4.75 (Å) with a negligible solubility for Zr at room temperature. Concentration profiles were examined to determine interdiffusion coefficients, integrated interdiffusion coefficients, and intrinsic diffusion coefficients using Boltzmann-Matano, Wagner, and Heumann analyses, respectively. Composition-dependence of interdiffusion coefficients were documented for α-U, δ-UZr2 (at 580 °C) and (γU,βZr) solid solution (at 650°, 680° and 710 °C). U was determined to intrinsically diffuse faster than Zr, approximately by an order of magnitude, in the δ-UZr2 at 580 °C, and (γU,βZr) phases at 650°, 680° and 710 °C. Based on Darken's approach, thermodynamic data available in literature were coupled to estimate the tracer diffusion coefficients and atomic mobilities of U and Zr.

  5. The Development of HfO2-Rare Earth Based Oxide Materials and Barrier Coatings for Thermal Protection Systems

    Science.gov (United States)

    Zhu, Dongming; Harder, Bryan James

    2014-01-01

    Advanced hafnia-rare earth oxides, rare earth aluminates and silicates have been developed for thermal environmental barrier systems for aerospace propulsion engine and thermal protection applications. The high temperature stability, low thermal conductivity, excellent oxidation resistance and mechanical properties of these oxide material systems make them attractive and potentially viable for thermal protection systems. This paper will focus on the development of the high performance and high temperature capable ZrO2HfO2-rare earth based alloy and compound oxide materials, processed as protective coating systems using state-or-the-art processing techniques. The emphasis has been in particular placed on assessing their temperature capability, stability and suitability for advanced space vehicle entry thermal protection systems. Fundamental thermophysical and thermomechanical properties of the material systems have been investigated at high temperatures. Laser high-heat-flux testing has also been developed to validate the material systems, and demonstrating durability under space entry high heat flux conditions.

  6. High strain rate superplasticity in an Al–Mg–Sc–Zr alloy processed via simple rolling

    Energy Technology Data Exchange (ETDEWEB)

    Li, Mengjia [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Pan, Qinglin, E-mail: csupql@163.com [Nonferrous Metal Oriented Advanced Structural Materials and Manufacturing Cooperative Innovation Center, Central South University, Changsha 410083 (China); Shi, Yunjia; Sun, Xue; Xiang, Hao [School of Materials Science and Engineering, Central South University, Changsha 410083 (China)

    2017-02-27

    The superplastic behavior of Al–Mg–Sc–Zr samples with standard gauge size (18 mm by 6 mm) were prepared using simple rolling and were tested in the temperature range from 450 °C to 525 °C at strain rates ranging from 1.67×10{sup –3} s{sup −1} to 1×10{sup –1} s{sup −1}. With proper deformation parameters, the Al–Mg–Sc–Zr alloy has an elongation to failure much higher than 300% and the maximum elongation is 740%. The Microstructure and dislocation substructure investigation using optical microscopy (OM) and transmission electron microscopy (TEM) revealed a dynamic recrystallization in it. The grain size and activation energy on the deformation mechanisms of superplastic is discussed. Results also show that these nano-scale Al{sub 3}(Sc{sub 1−x}Zr{sub x}) particles play an important role in the superplastic process. Al{sub 6}FeMn particles were found to induce the formation and growth of cavities, which can lead to the fracture of specimens.

  7. Synthetic of Zr2Al3C5 material

    International Nuclear Information System (INIS)

    Leela-Adisorn, U.; Yamaguchi, A.

    2005-01-01

    Synthesis method of Zr 2 Al 3 C 5 via solid state reaction between Al, ZrC and carbon powder was studied. Al-ZrC-C compact with equivalent mol ratio of Zr 2 Al 3 C 5 was heated up to 1600 C in Ar atmosphere for 1 h and 4 h but ZrC phase still existed as major phase with very small amount of Zr 2 Al 3 C 5 . Because ZrC started to oxidize at low temperature under very low oxygen partial pressure, the same mol ratio of Al-ZrC-C compact was heated at 1600 C in vacuum for 1 h as parallel test. After firing in vacuum, some carbon still exist with small amount of AlZrC 2 occurred with Zr 2 Al 3 C 5 as a main phase, but no ZrC was found. Different result from firing in Ar atmosphere and in vacuum had been discussed here. It was believed that very small amount of impurities in Ar had some effect on the formation of Al-Zr-C compound. The effect of very small amount of impurities in Ar was studied by thermal analysis (DTA/TG) and XRD. It was found that very small amount of impurities in Ar has effect on the reaction between Al, ZrC and carbon by diffusion through the surface and form Zr-C-O-N solid solution. This solid solution cannot differentiate from ZrC by XRD. With help of thermal analysis method (DTA/TG), Zr-C-O-N solid solution can be differentiated from ZrC. Therefore, synthesis of Al-Zr-C compound should be done in vacuum. Zr 2 Al 3 C 5 can be prepared from mixture of Al-ZrC-C with excess amount of Al at 1600 C for 1 h. (orig.)

  8. Final Scientific Report: DE-SC0002194

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, Gerald [Univ. of Washington, Seattle, WA (United States)

    2017-04-07

    We provide the final scientific report for DE-SC0002194. During the term of this grant, 28 publications spanning a variety of topics were addressed under the rubric of advanced x-ray methods and their application to extreme conditions of time-resolution or x-ray intensities. Notable accomplishments include a new observation of XANES features associated with f-shell reconfiguration in lanthanides, size-dependent x-ray heating effects under XFEL illumination conditions, theoretical development of improved treatments of inelastic x-ray scattering for 'warm dense matter' conditions, and several new instrument develop efforts for atomic, molecular, and condensed phase studies in the lab and at major facility lightsources.

  9. Energy Levels, wavelengths and hyperfine structure measurements of Sc II

    Science.gov (United States)

    Hala, Fnu; Nave, Gillian

    2018-01-01

    Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

  10. The SC State NSF PAARE Program

    Science.gov (United States)

    Walter, Donald; Ajello, Marco; Brittain, Sean; Cash, Jennifer; Fogle, Bryan; Hartmann, Dieter; Ho, Shirley; Howell, Steve; King, Jeremy; Leising, Mark; Smith, Daniel

    2018-01-01

    We report on the activities of our NSF PAARE program during Year 3 of the project. Our partnership under this award includes South Carolina State University (a Historically Black College/University), Clemson University (a Ph.D. granting institution) and individual investigators at NASA Ames and elsewhere. Our partnership with the Citizen CATE Experiment and involvement in the total solar eclipse which passed through our campus on August 21, 2017, will be discussed. The PAARE project continues to strengthen our partnership with Clemson. We are close to completing a memorandum of agreement between the two institutions that will allow for the seamless transfer of an undergraduate from SC State to Clemson’s graduate program in physics and astronomy. Additionally, we have worked together under the Citizen CATE project and through other research activities. SC State is a member of the National Astronomy Consortium (NAC) and participates through its faculty and undergraduates, one of whom (Wesley Red) is reporting on his summer internship at this conference. We also served as the state coordinator for South Carolina for the Citizen CATE Experiment. The August 21st path of totality crossed through our campus and the campus of our partner Clemson University. Additional colleges, universities and citizen scientist groups partnered with us to provide 7 sites of coverage across South Carolina from the foothills of the Appalachian mountains to the Atlantic Ocean near the site of departure of the shadow from the continental U.S. Support for this work includes our NSF PAARE award AST-1358913 as well as resources and support provided by Clemson University and the National Optical Astronomy Observatory. CATE work has been supported by NASA SMD award NNX16AB92A to the National Solar Observatory. Additional details can be found at: http://physics.scsu.edu

  11. Zirconium tetrafluoride complexing with imidotetraphenyldiphosphinic acid in DMSO. Crystal structure of {ZrF2[Ph2P(O)NP(O)Ph2]2}. Trans effect of fluorine ion

    International Nuclear Information System (INIS)

    Il'in, E.G.; Kovalev, V.V.; Aleksandrov, G.G.; Shmidpeter, A.; Buslaev, Yu.A.

    2000-01-01

    The structure of complexes formed during interaction between ZrF 4 and imidotetraphenyldiphosphinic acid (HL) in mixed DMSO-CH 2 Cl 2 solvent (DMSO=dimethylsulfoxide) at temperatures of 218-273 K was studied by the method of 19 F and 31 P NMR. For complex [ZrF 2 L 2 ]·2HF cis configuration was ascertained, which is confirmed by the study of its monocrystals by the method of X-ray diffraction analysis. The revealed non-equivalence of chemical bonds of chelate cycle oxygen atoms in the complex suggests manifestation of trans-effect by fluorine ion [ru

  12. The magnetic properties of $^{\\rm 177}$Hf and $^{\\rm 180}$Hf in the strong coupling deformed model

    OpenAIRE

    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.

    2014-01-01

    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 $^{\\rm 177}$Hf and the 8$^-$, 5.5 h, 1142 keV state in $^{\\rm 180}$Hf by the method of on-line nuclear orientation. Also included are results on the angular distributions of gamma transitions in the decay of the $^{\\rm 177}$Hf 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 ...

  13. Zr3NiSb7: a new antimony-enriched ZrSb2 derivative

    Directory of Open Access Journals (Sweden)

    V. Romaka

    2008-08-01

    Full Text Available Single crystals of trizirconium nickel heptaantimonide were synthesized from the constituent elements by arc-melting. The compound crystallizes in a unique structure type and belongs to the family of two-layer structures. All crystallographically unique atoms (3 × Zr, 1 × Ni and 7 × Sb are located at sites with m symmetry. The structure contains `Zr2Ni2Sb5' and `Zr4Sb9' fragments and might be described as a new ZrSb2 derivative with a high Sb content.

  14. Experimental investigation of the Zr corner of the ternary Zr-Nb-Fe phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Granovsky, M.S. E-mail: granovsk@cnea.gov.ar; Canay, M.; Lena, E.; Arias, D

    2002-04-01

    Intermediate phases in the Zr-rich region of the Zr-Nb-Fe system have been investigated by X-ray diffraction, optical and electron microscopy and electron microprobe analysis. The chemical composition ranges covered by the alloys studied here are: (41-97) at.% Zr, (32-0.9) at.% Nb and (0.6-38) at.% Fe. The phases found in this region were: the solid solutions {alpha}-Zr and {beta}-Zr, the intermetallic Zr{sub 3}Fe with less than 0.2 at.% Nb in solution, two new ternary intermetallic compounds (Zr+Nb){sub 2}Fe '{lambda}{sub 1}' with a cubic Ti{sub 2}Ni-type structure in the composition range (2.4-13) at.% Nb and (31-33) at.% Fe, and (Fe+Nb){sub 2}Zr '{lambda}{sub 2}' indexed as hexagonal Laves phase MgZn{sub 2} type (C14) with a wide range of compositions close to (35-37) at.% Zr, (12-31) at.% Nb and (32-53) at.% Fe.

  15. Experimental investigation of the Zr corner of the ternary Zr-Nb-Fe phase diagram

    International Nuclear Information System (INIS)

    Granovsky, M.S.; Canay, M.; Lena, E.; Arias, D.

    2002-01-01

    Intermediate phases in the Zr-rich region of the Zr-Nb-Fe system have been investigated by X-ray diffraction, optical and electron microscopy and electron microprobe analysis. The chemical composition ranges covered by the alloys studied here are: (41-97) at.% Zr, (32-0.9) at.% Nb and (0.6-38) at.% Fe. The phases found in this region were: the solid solutions α-Zr and β-Zr, the intermetallic Zr 3 Fe with less than 0.2 at.% Nb in solution, two new ternary intermetallic compounds (Zr+Nb) 2 Fe 'λ 1 ' with a cubic Ti 2 Ni-type structure in the composition range (2.4-13) at.% Nb and (31-33) at.% Fe, and (Fe+Nb) 2 Zr 'λ 2 ' indexed as hexagonal Laves phase MgZn 2 type (C14) with a wide range of compositions close to (35-37) at.% Zr, (12-31) at.% Nb and (32-53) at.% Fe

  16. Antibacterial activity and cell compatibility of TiZrN, TiZrCN, and TiZr-amorphous carbon coatings

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Heng-Li [School of Dentistry, China Medical University, Taichung 404, Taiwan (China); Department of Bioinformatics and Medical Engineering, Asia University, Taichung 41354, Taiwan (China); Chang, Yin-Yu, E-mail: yinyu@nfu.edu.tw [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Liu, Jia-Xu [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Tsai, Ming-Tzu [Department of Biomedical Engineering, Hungkuang University, Taichung 433, Taiwan (China); Lai, Chih-Ho [Department of Microbiology and Immunology, Graduate Institute of Biomedical Sciences, Chang Gung University, Taoyuan, Taiwan (China)

    2015-12-01

    A cathodic-arc evaporation system with plasma-enhanced duct equipment was used to deposit TiZrN, TiZrCN, and TiZr/a-C coatings. Reactive gases (N{sub 2} and C{sub 2}H{sub 2}) activated by the Ti and Zr plasma in the evaporation process was used to deposit the TiZrCN and TiZr/a-C coatings with different C and nitrogen contents. The crystalline structures and bonding states of coatings were analyzed by X-ray diffraction and X-ray photoelectron spectroscopy. The microbial activity of the coatings was evaluated against Staphylococcus aureus (Gram-positive bacteria) and Actinobacillus actinomycetemcomitans (Gram-negative bacteria) by in vitro antibacterial analysis using a fluorescence staining method employing SYTO9 and a bacterial-viability test on an agar plate. The cell compatibility and morphology related to CCD-966SK cell-line human skin fibroblast cells on the coated samples were also determined using the 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide assay, reverse-transcriptase-polymerase chain reaction, and scanning electron microscopy. The results suggest that the TiZrCN coatings not only possess better antibacterial performance than TiZrN and TiZr/a-C coatings but also maintain good compatibility with human skin fibroblast cells. - Highlights: • TiZrN, TiZrCN, and TiZr/a-C coatings were deposited using cathodic arc evaporation. • The TiZrCN showed a composite structure containing TiN, ZrN, and a-C. • The TiZrCN-coated Ti showed the least hydrophobicity among the samples. • The TiZrCN-coated Ti showed good human skin fibroblast cell viability. • The TiZrCN-coated Ti exhibited good antibacterial performance.

  17. Low-Frequency Waves in HF Heating of the Ionosphere

    Science.gov (United States)

    Sharma, A. S.; Eliasson, B.; Milikh, G. M.; Najmi, A.; Papadopoulos, K.; Shao, X.; Vartanyan, A.

    2016-02-01

    Ionospheric heating experiments have enabled an exploration of the ionosphere as a large-scale natural laboratory for the study of many plasma processes. These experiments inject high-frequency (HF) radio waves using high-power transmitters and an array of ground- and space-based diagnostics. This chapter discusses the excitation and propagation of low-frequency waves in HF heating of the ionosphere. The theoretical aspects and the associated models and simulations, and the results from experiments, mostly from the HAARP facility, are presented together to provide a comprehensive interpretation of the relevant plasma processes. The chapter presents the plasma model of the ionosphere for describing the physical processes during HF heating, the numerical code, and the simulations of the excitation of low-frequency waves by HF heating. It then gives the simulations of the high-latitude ionosphere and mid-latitude ionosphere. The chapter also briefly discusses the role of kinetic processes associated with wave generation.

  18. Theoretical Assessment of 178m2Hf De-Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Hartouni, E P; Chen, M; Descalle, M A; Escher, J E; Loshak, A; Navratil, P; Ormand, W E; Pruet, J; Thompson, I J; Wang, T F

    2008-10-06

    This document contains a comprehensive literature review in support of the theoretical assessment of the {sup 178m2}Hf de-excitation, as well as a rigorous description of controlled energy release from an isomeric nuclear state.

  19. HF Surface Wave Radar Operation in Adverse Conditions

    National Research Council Canada - National Science Library

    Ponsford, Anthony M; Dizaji, Reza M; McKerracher, Richard

    2005-01-01

    ...) system based on HF Surface Wave Radar (HFSWR). the primary objective behind the programme was to demonstrate the capability of HFSWR to continuously detect and track surface targets (ships and icebergs...

  20. HF band filter bank multi-carrier spread spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Laraway, Stephen Andrew; Moradi, Hussein; Farhang-Boroujeny, Behrouz

    2015-10-01

    Abstract—This paper describes modifications to the filter bank multicarrier spread spectrum (FB-MC-SS) system, that was presented in [1] and [2], to enable transmission of this waveform in the HF skywave channel. FB-MC-SS is well suited for the HF channel because it performs well in channels with frequency selective fading and interference. This paper describes new algorithms for packet detection, timing recovery and equalization that are suitable for the HF channel. Also, an algorithm for optimizing the peak to average power ratio (PAPR) of the FBMC- SS waveform is presented. Application of this algorithm results in a waveform with low PAPR. Simulation results using a wide band HF channel model demonstrate the robustness of this system over a wide range of delay and Doppler spreads.

  1. HF-voltage testing of accelerating system functional model

    International Nuclear Information System (INIS)

    Gladkov, A.V.; Stepanov, V.B.

    1989-01-01

    Owing to ambiguity in interpreting the notion of the electron strength of the operating HF device in an acceleator a technique of measurements and result processing, based on statistical analysis of the data is suggested. Experimental testing on electric strength of structures with HF focusing was carried out using a bench in the form of a cylindrical vacuum container inside which a double H-resonator with HF quadrupole electrodes without surface modulation was installed. The dependences obtained permit to evaluate the bahaviour of the HF device from the viewpoint of electric strength and radiation hazard for the whole range of possible values of voltage on the basis of data on the frequency of breakdowns and radiation situation only in one experimental point. 12 refs.; 8 figs

  2. Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

    Science.gov (United States)

    Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

    2018-01-01

    Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

  3. Oxidation of Zr and thin (0.2-4 nm) Zr films on Ag: An ESCA investigation

    International Nuclear Information System (INIS)

    Steiner, P.; Sander, I.; Siegwart, B.; Huefner, S.

    1987-01-01

    The oxidation of polycrystalline Zr under 10 -8 -10 -3 mbar oxygen pressure in the temperature range 25 0 -350 0 C is obtained from ESCA experiments. Changes in the ESCA spectra for thin Zr films on Ag oxidized at 250 0 C are observed and compared to the bulk Zr-metal. Thin Ag overlayers on Zr show a catalytic increase of the room temperature oxidation of Zr. (orig.)

  4. Integrated magnetics design for HF-link power converters

    Energy Technology Data Exchange (ETDEWEB)

    Ljusev, P.; Andersen, Michael A.E.

    2005-07-01

    This paper deals with the design of integrated magnetics for HF-link converters, where the two integrated magnetic components on the same core do not necessarily belong to the same voltage loop. Depending on the specific HF-link converter topology, the proposed integrated magnetics can either alleviate the derivation of independent auxiliary supply voltages from the main transformer or integrate other magnetic structures, thus saving board space and cutting costs. (au)

  5. Ni-ZrB2 electrocomposites

    International Nuclear Information System (INIS)

    Pushpavanam, M.; Natarajan, S.R.

    1992-01-01

    New generation materials require high temperature oxidation resistance besides many other tribological properties. Ni-ZrB 2 composites and their properties are dealt with in this paper. (author). 7 refs., 3 figs., 4 tabs

  6. Toxicity, tissue distribution and excretion of 46ScCl3 and 46Sc-EDTA in mice

    International Nuclear Information System (INIS)

    Lachine, E.E.; Noujaim, A.A.; Ediss, C.; Wiebe, L.I.

    1976-01-01

    The acute toxicity, differential distribution in tissue, and elimination of ScCl 3 , 46 ScCl 3 , Sc-EDTA and 46 Sc-EDTA, in mice, has been investigated. The LD 50 sup(24hr) doses for ScCl 3 were 440 and 24 mg kg -1 respectively after intraperitioneal and intravenous injection, and 720 and 108 mg kg -1 respectively for Sc-EDTA. 46 ScCl 3 was extensively deposited in the liver and the spleen. 46 Sc-EDTA was rapidly taken up by the kidney with subsequent elimation via the urine. While-body desaturation kinetics for 46 Sc-EDTA were found to fit a three compartmental model. The fast elimination phase (T1/2 = 12.75 min; K = 0.05540 min -1 ) accounted for 74.6% of the dose; the intermediate phase (T1/2 = 40.2 min; K = 0.01722 min -1 ) for 21.8%, and the slow (T1/2 = 5351 min; K = 0.00013 min -1 ) for 3.6% of the dose. (author)

  7. Thermoelectric properties of doped BaHfO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Chandra Kr., E-mail: ckparadise@gmail.com, E-mail: sharmarameshfgiet@gmail.com [Dept. of Physics, Dr. Shakuntala Misra National Rehabilitation University, Lucknow-229001, U.P India (India); Bhamu, K. C. [Department of Physics, Goa University, Goa-403 206 (India); Sharma, Ramesh, E-mail: ckparadise@gmail.com, E-mail: sharmarameshfgiet@gmail.com [Dept. of Physics, Feroze Gandhi Institute of Engineering & Technology, Raebareli-229001, U.P India (India)

    2016-05-06

    We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO{sub 3} by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO{sub 3} doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO{sub 3} is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO{sub 3} is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

  8. The isobutylene-isobutane alkylation process in liquid HF revisited.

    Science.gov (United States)

    Esteves, P M; Araújo, C L; Horta, B A C; Alvarez, L J; Zicovich-Wilson, C M; Ramírez-Solís, A

    2005-07-07

    Details on the mechanism of HF catalyzed isobutylene-isobutane alkylation were investigated. On the basis of available experimental data and high-level quantum chemical calculations, a detailed reaction mechanism is proposed taking into account solvation effects of the medium. On the basis of our computational results, we explain why the density of the liquid media and stirring rates are the most important parameters to achieve maximum yield of alkylate, in agreement with experimental findings. The ab initio Car-Parrinello molecular dynamics calculations show that isobutylene is irreversibly protonated in the liquid HF medium at higher densities, leading to the ion pair formation, which is shown to be a minimum on the potential energy surface after optimization using periodic boundary conditions. The HF medium solvates preferentially the fluoride anion, which is found as solvated [FHF](-) or solvated F(-.)(HF)(3). On the other hand, the tert-butyl cation is weakly solvated, where the closest HF molecules appear at a distance of about 2.9 Angstrom with the fluorine termination of an HF chain.

  9. Solid phase crystallisation of HfO2 thin films

    International Nuclear Information System (INIS)

    Modreanu, M.; Sancho-Parramon, J.; O'Connell, D.; Justice, J.; Durand, O.; Servet, B.

    2005-01-01

    In this paper, we report on the solid phase crystallisation of carbon-free HfO 2 thin films deposited by plasma ion assisted deposition (PIAD). After deposition, the HfO 2 films were annealed in N 2 ambient for 3 h at 350, 550 and 750 deg. C. Several characterisation techniques including X-ray reflectometry (XRR), X-ray diffraction (XRD), spectroscopic ellipsometry (SE) and atomic force microscopy (AFM) were used for the physical characterisation of as-deposited and annealed HfO 2 . XRD has revealed that the as-deposited HfO 2 film is in an amorphous-like state with only traces of crystalline phase and that the annealed films are in a highly crystalline state. These results are in good agreement with the SE results showing an increase of refractive index by increasing the annealing temperature. XRR results show a significant density gradient over the as-deposited film thickness, which is characteristic of the PIAD method. The AFM measurements show that the HfO 2 layers have a smooth surface even after annealing at 750 deg. C. The present study demonstrates that the solid phase crystallisation of HfO 2 PIAD thin films starts at a temperature as low as 550 deg. C

  10. Sequential sputtered Co-HfO{sub 2} granular films

    Energy Technology Data Exchange (ETDEWEB)

    Chadha, M.; Ng, V.

    2017-03-15

    A systematic study of magnetic, magneto-transport and micro-structural properties of Co-HfO{sub 2} granular films fabricated by sequential sputtering is presented. We demonstrate reduction in ferromagnetic-oxide formation by using HfO{sub 2} as the insulting matrix. Microstructure evaluation of the films showed that the film structure consisted of discrete hcp-Co grains embedded in HfO{sub 2} matrix. Films with varying compositions were prepared and their macroscopic properties were studied. We correlate the variation in these properties to the variation in film microstructure. Our study shows that Co-HfO{sub 2} films with reduced cobalt oxide and varying properties can be prepared using sequential sputtering technique. - Highlights: • Co-HfO{sub 2} granular films were prepared using sequential sputtering. • A reduction in ferromagnetic-oxide formation is observed. • Co-HfO{sub 2} films display superparamagnetism and tunnelling magneto-resistance. • Varying macroscopic properties were achieved by changing film composition. • Applications can be found in moderate MR sensors and high –frequency RF devices.

  11. IEC SC15E: Report on liaison activities of CIGRÉ-SC15

    DEFF Research Database (Denmark)

    Henriksen, Mogens

    2000-01-01

    WG’s activities under CIGRÉ SC15:WG 15.01 - Fluid impregnated systems.WG 15.02 - Dielectric Liquids.WG 15.03 - Gas Insulation.WG 15.04 - Outdoor Insulation.WG 15.05 - Capacitors.WG 15.07 - Solid Insulating Materials for Rotating Machines.WG 15/33.08 - Insulation Monitoring and Life Estimation. WG...

  12. Cyclotron production of {sup 44}Sc for clinical application

    Energy Technology Data Exchange (ETDEWEB)

    Krajewski, S.; Bilewicz, A. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Cydzik, I. [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); European Commission Joint Research Center, Ispra (Italy). Inst. for Health and Consumer Protection; Warsaw Univ. (Poland). Heavy Ion Lab.; Abbas, K. [European Commission Joint Research Center, Ispra (Italy). Institute for Transuranium Elements; Bulgheroni, A.; Simonelli, F.; Holzwarth, U. [European Commission Joint Research Center, Ispra (Italy). Inst. for Health and Consumer Protection

    2013-08-01

    {sup 44} is a promising {beta}{sup +}-emitter for molecular imaging with intermediate half-life of 4 h. Due to the chemical similarity of Sc{sup 3+} to the Lu{sup 3+} and Y{sup 3+} cations, {sup 44}Sc-DOTA bioconjugates are expected to demonstrate similar properties in vivo as the {sup 177}Lu- and {sup 90}Y-bioconjugates, what is important in planning the radionuclide therapy. {sup 44}Sc can be obtained from the {sup 44}Ti/{sup 44}Sc generator. An alternative method for {sup 44}Sc production can be the irradiation of {sup 44}Ca target at small cyclotrons. The aim of our work was to optimize the parameters of {sup 44}CaCO{sub 3} irradiation and to develop a simple procedure for {sup 44}Sc separation from the calcium target. For optimization study, {sup 44}CaCO{sub 3} targets were irradiated by protons in the energy range of 5.6-17.5 MeV with 9 MeV being found to be the best energy for {sup 44}Ca irradiations. A simple and fast separation procedure of {sup 44}Sc from calcium target was developed using chelating resin Chelex 100. DOTATATE conjugate was successfully radiolabelled with high yield at elevated temperature using the produced {sup 44}Sc. While {sup 44}CaCO{sub 3} is relatively expensive, the cost of {sup 44}Sc-DOTATATE production can be reduced by target recovery. Due to low proton energy required to produce GBq activity level of {sup 44}Sc, the availability of {sup 44}Sc radioisotope could be enhanced to open new opportunities for applications in medical imaging. (orig.)

  13. Zr-Sn-Nb alloys. Preliminary studies

    International Nuclear Information System (INIS)

    Danon, C.A.; Arias, D.E.

    1993-01-01

    Studies of the Zr-Sn-Nb diagram have been started, focussing on the Zr-rich corner, near the composition of Zirlo commercial alloy, Zr-1Sn-1Nb, and with Fe and O contents usual in nuclear grade materials. Three alloys were melted, namely Zr-4Sn-2.4Nb (A), Zr-1Sn-3Nb (B) and Zr-2.1Sn-1Nb (C). α/β transformation temperatures were measured through the variation of electrical resistivity(p) vs temperature (T). Values of 560 deg C, 670 deg C and 750 deg C were measured for the α→α+β reaction and 980 deg C, 910 deg C and 1000 deg C for the α+β→β reaction, for the A, B and C alloys, respectively in that order. Some samples were submitted to heat treatments (62 and 216 hours at 825 deg C, 120 hours at 875 deg C). Optical and scanning electronic microscopy of those samples confirmed our resistivity results. (Author)

  14. Orientation control and domain structure analysis of {100}-oriented epitaxial ferroelectric orthorhombic HfO{sub 2}-based thin films

    Energy Technology Data Exchange (ETDEWEB)

    Katayama, Kiliha [Department of Innovative and Engineered Materials, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Shimizu, Takao [Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Sakata, Osami [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science (NIMS), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Shiraishi, Takahisa; Nakamura, Shogo; Kiguchi, Takanori; Akama, Akihiro; Konno, Toyohiko J. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Uchida, Hiroshi [Department of Materials and Life Sciences, Sophia University, Chiyoda, Tokyo 102-8554 (Japan); Funakubo, Hiroshi, E-mail: funakubo.h.aa@m.titech.ac.jp [Department of Innovative and Engineered Materials, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2016-04-07

    Orientation control of {100}-oriented epitaxial orthorhombic 0.07YO{sub 1.5}-0.93HfO{sub 2} films grown by pulsed laser deposition was investigated. To achieve in-plane lattice matching, indium tin oxide (ITO) and yttria-stabilized zirconia (YSZ) were selected as underlying layers. We obtained (100)- and (001)/(010)-oriented films on ITO and YSZ, respectively. Ferroelastic domain formation was confirmed for both films by X-ray diffraction using the superlattice diffraction that appeared only for the orthorhombic symmetry. The formation of ferroelastic domains is believed to be induced by the tetragonal–orthorhombic phase transition upon cooling the films after deposition. The present results demonstrate that the orientation of HfO{sub 2}-based ferroelectric films can be controlled in the same manner as that of ferroelectric films composed of conventional perovskite-type material such as Pb(Zr, Ti)O{sub 3} and BiFeO{sub 3}.

  15. Reduction behaviors of Zr for LiCl-KCl-ZrCl4 and LiCl-KCl-ZrCl4-CdCl2

    International Nuclear Information System (INIS)

    Kim, Si Hyung; Yoon, Jongho; Kim, Gha Young; Kim, Tack Jin; Shim, Joon Bo; Kim, Kwang Rag; Jung, Jae Hoo; Ahn, Do Hee; Paek, Seungwoo

    2013-01-01

    The reduction potentials of most of the zirconium ions on the solid cathode are smaller (about 0.4V) than that of uranium, and thus zirconium can be recovered prior to uranium during the reduction stage. In the case of a liquid cadmium cathode, which is one of the major cathodes, the reduction potential can be changed because zirconium reacts with the liquid cadmium. Up to now, it has not been well known what the reduction potential of Zr was on the liquid Cd cathode. According to the Cd-Zr phase diagram, there are four intermetallic compounds between cadmium and zirconium. It is easier to use the solid cathode than the liquid cadmium cathode in LiCl-KCl-ZrCl 4 containing CdCl 2 to identify the formation of the Cd-Zr phase. In this study, the reduction behaviors of zirconium were compared in the LiCl-KCl-ZrCl 4 and LiCl-KCl-ZrCl 4 -CdCl 2 solutions when using a solid cathode. The reduction behavior of Zr at a solid W cathode and a Cd-coated W cathode was compared in a LiCl-KCl-ZrCl 4 solution at 500 .deg. C. It was observed from the results using a solid W cathode that Zr 4+ ions were gradually oxidized to Zr 2+ , Zr, and ZrCl during the reduction sweep, but the final oxidation peak of Zr 2+ to Zr 4+ seemed to be unclear during the oxidation sweep. In the case of the Cd-coated W electrode, only a Cd 2 Zr phase was formed at 500 .deg. C, which seemed to be related to the melting point of Cd-Zr intermetallics. Through additional studies at different temperatures, the formation behavior will be studied

  16. Structural investigations of zirconia powders obtained by hf-plasmochemical denitration

    International Nuclear Information System (INIS)

    Dedov, N.V.; Ivanov, Yu.F.; Dorda, F.A.; Paul', A.V.; Zav'yalov, A.V.; Koneva, N.A.; Korobtsev, V.P.; Kutyavin, E.M.; Mazin, V.I.; Matyukha, V.A.

    1992-01-01

    Results are presented of structural and physicochemical investigations of unstabilized and stabilized (using yttria, magnesia, calcium oxide and alumina) zirconia, obtained from nitrate solutions on pilot HF-plasmochemical equipment with an electric rating of 63 kW. The phase composition of the ultradispersed powder is shown. Morphological and grain-size analyses were carried out on the EM-125K electron diffraction microscope. specimens were prepared by applying powder to a carbon film obtained in a VUP-4 vacuum cell. The phase composition was studied by x-ray analysis on the DRON-3 diffractometer. These studies established that the main morphological constituents of the ZrO 2 powder are polycrystalline hollow spheres and fragments of films. The average sizes (diameter) of the spheres in 0.77 μ (mean square deviation σ n = 0.57μ) and for the grains in them 31 nm (σ n = 9.5 nm). There exists a certain correlation between the dimensions of the polycrystalline spheres and their grain structure - the coarser the powders, the larger the grains observed

  17. Reconciliation of the excess 176Hf conundrum in meteorites: Recent disturbances of the Lu-Hf and Sm-Nd isotope systematics

    Science.gov (United States)

    Bast, Rebecca; Scherer, Erik E.; Sprung, Peter; Mezger, Klaus; Fischer-Gödde, Mario; Taetz, Stephan; Böhnke, Mischa; Schmid-Beurmann, Hinrich; Münker, Carsten; Kleine, Thorsten; Srinivasan, Gopalan

    2017-09-01

    The long-lived 176Lu-176Hf and 147Sm-143Nd radioisotope systems are commonly used chronometers, but when applied to meteorites, they can reveal disturbances. Specifically, Lu-Hf isochrons commonly yield dates up to ∼300 Myr older than the solar system and varying initial 176Hf/177Hf values. We investigated this problem by attempting to construct mineral and whole rock isochrons for eucrites and angrites. Meteorites from different parent bodies exhibit similar disturbance features suggesting that a common process is responsible. Minerals scatter away from isochron regressions for both meteorite classes, with low-Hf phases such as plagioclase and olivine typically being most displaced above (or left of) reference isochrons. Relatively Hf-rich pyroxene is less disturbed but still to the point of steepening Lu-Hf errorchrons. Using our Lu-Hf and Sm-Nd data, we tested various Hf and Lu redistribution scenarios and found that decoupling of Lu/Hf from 176Hf/177Hf must postdate the accumulation of significant radiogenic 176Hf. Therefore early irradiation or diffusion cannot explain the excess 176Hf. Instead, disturbed meteorite isochrons are more likely caused by terrestrial weathering, contamination, or common laboratory procedures. The partial dissolution of phosphate minerals may predominantly remove rare earth elements including Lu, leaving relatively immobile and radiogenic Hf behind. Robust Lu-Hf (and improved Sm-Nd) meteorite geochronology will require the development of chemical or physical methods for removing unsupported radiogenic Hf and silicate-hosted terrestrial contaminants without disturbing parent-daughter ratios.

  18. Methods for production of UNK SC-dipoles magnetic measurements

    International Nuclear Information System (INIS)

    Smirnov, N.L.

    1991-01-01

    Many SC-dipoles for UNK will require from the chosen magnetic measurement methods high accuracy and efficiency. The brief of using methods, their possibilities and analysis of their errors are given. The measurements results for a full-scale model of SC-dipole SPDM1 are presented. 5 refs.; 4 figs.; 4 tabs

  19. Structural study of Zr-based metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Matsubara, E. [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan)]. E-mail: e.matsubara@materials.mbox.media.kyoto-u.ac.jp; Ichitsubo, T. [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan); Saida, J. [Center of Interdisciplinary Research, Tohoku University, Sendai 980-8578 (Japan); Kohara, S. [JASRI, SPring-8, Sayo-gun, Hyogo 679-5198 (Japan); Ohsumi, H. [JASRI, SPring-8, Sayo-gun, Hyogo 679-5198 (Japan)

    2007-05-31

    Structures of Zr{sub 70}Ni{sub 20}Al{sub 10}, Zr{sub 70}Cu{sub 20}Al{sub 10}, Zr{sub 70}Cu{sub 30} and Zr{sub 70}Ni{sub 30} amorphous alloys were analyzed by high-energy X-ray diffraction. The relatively stable Zr{sub 2}Cu amorphous alloy shows a local atom arrangement different from the Zr{sub 2}Cu crystalline phase. By contrast, the less stable Zr{sub 70}Ni{sub 30} amorphous alloy has a structure similar to Zr{sub 2}Ni. In the Zr{sub 70}Cu{sub 20}Al{sub 10} metallic glass, Zr-Al nearest neighbor pairs are introduced in the amorphous structure. In the Zr{sub 70}Ni{sub 20}Al{sub 10} metallic glass, the strong correlation between Zr-Ni pairs is drastically modified by the formation of Zr-Al pairs. The presence of Zr-Al pairs in the ternary alloys suppresses the crystallization and stabilizes the glassy state.

  20. Ge interactions on HfO2 surfaces and kinetically driven patterning of Ge nanocrystals on HfO2

    International Nuclear Information System (INIS)

    Stanley, Scott K.; Joshi, Sachin V.; Banerjee, Sanjay K.; Ekerdt, John G.

    2006-01-01

    Germanium interactions are studied on HfO 2 surfaces, which are prepared through physical vapor deposition (PVD) and by atomic layer deposition. X-ray photoelectron spectroscopy and temperature-programed desorption are used to follow the reactions of germanium on HfO 2 . Germanium chemical vapor deposition at 870 K on HfO 2 produces a GeO x adhesion layer, followed by growth of semiconducting Ge 0 . PVD of 0.7 ML Ge (accomplished by thermally cracking GeH 4 over a hot filament) also produces an initial GeO x layer, which is stable up to 800 K. PVD above 2.0 ML deposits semiconducting Ge 0 . Temperature programed desorption experiments of ∼1.0 ML Ge from HfO 2 at 400-1100 K show GeH 4 desorption below 600 K and GeO desorption above 850 K. These results are compared to Ge on SiO 2 where GeO desorption is seen at 550 K. Exploiting the different reactivity of Ge on HfO 2 and SiO 2 allows a kinetically driven patterning scheme for high-density Ge nanoparticle growth on HfO 2 surfaces that is demonstrated

  1. Relationship between CCR and NT-proBNP in Chinese HF patients, and their correlations with severity of HF.

    Science.gov (United States)

    Lu, Zhigang; Wang, Bo; Wang, Yunliang; Qian, Xueqing; Zheng, Wei; Wei, Meng

    2014-01-01

    To evaluate the relationship between creatinine clearance rate (CCR) and the level of N-terminal pro-B-type natriuretic peptide (NT-proBNP) in heart failure (HF) patients and their correlations with HF severity. Two hundred and one Chinese patients were grouped according to the New York Heart Association (NYHA) classification as NYHA 1-2 and 3-4 groups and 135 cases out of heart failure patients as control group. The following variables were compared among these three groups: age, sex, body mass index (BMI), smoking status, hypertension, diabetes, NT-proBNP, creatinine (Cr), uric acid (UA), left ventricular end-diastolic diameter (LVEDD), and CCR. The biomarkers of NT-proBNP, Cr, UA, LVEDD, and CCR varied significantly in the three groups, and these variables were positively correlated with the NHYA classification. The levels of NT-proBNP and CCR were closely related to the occurrence of HF and were independent risk factors for HF. At the same time, there was a significant negative correlation between the levels of NT-proBNP and CCR. The area under the receiver operating characteristic curve suggested that the NT-proBNP and CCR have high accuracy for diagnosis of HF and have clinical diagnostic value. NT-proBNP and CCR may be important biomarkers in evaluating the severity of HF.

  2. Joint Efforts Towards European HF Radar Integration

    Science.gov (United States)

    Rubio, A.; Mader, J.; Griffa, A.; Mantovani, C.; Corgnati, L.; Novellino, A.; Schulz-Stellenfleth, J.; Quentin, C.; Wyatt, L.; Ruiz, M. I.; Lorente, P.; Hartnett, M.; Gorringe, P.

    2016-12-01

    During the past two years, significant steps have been made in Europe for achieving the needed accessibility to High Frequency Radar (HFR) data for a pan-European use. Since 2015, EuroGOOS Ocean Observing Task Teams (TT), such as HFR TT, are operational networks of observing platforms. The main goal is on the harmonization of systems requirements, systems design, data quality, improvement and proof of the readiness and standardization of HFR data access and tools. Particular attention is being paid by HFR TT to converge from different projects and programs toward those common objectives. First, JERICO-NEXT (Joint European Research Infrastructure network for Coastal Observatory - Novel European eXpertise for coastal observaTories, H2020 2015 Programme) will contribute on describing the status of the European network, on seeking harmonization through exchange of best practices and standardization, on developing and giving access to quality control procedures and new products, and finally on demonstrating the use of such technology in the general scientific strategy focused by the Coastal Observatory. Then, EMODnet (European Marine Observation and Data Network) Physics started to assemble HF radar metadata and data products within Europe in a uniform way. This long term program is providing a combined array of services and functionalities to users for obtaining free of charge data, meta-data and data products on the physical conditions of European sea basins and oceans. Additionally, the Copernicus Marine Environment Monitoring Service (CMEMS) delivers from 2015 a core information service to any user related to 4 areas of benefits: Maritime Safety, Coastal and Marine Environment, Marine Resources, and Weather, Seasonal Forecasting and Climate activities. INCREASE (Innovation and Networking for the integration of Coastal Radars into EuropeAn marine SErvices - CMEMS Service Evolution 2016) will set the necessary developments towards the integration of existing European

  3. Sc-Decorated WS_2 Nanoribbons as Hydrogen Storage Media

    International Nuclear Information System (INIS)

    Xu Bin; Wang Yu-Sheng; Zhang Jing; Song Na-Hong; Li Meng; Yi Lin

    2016-01-01

    The hydrogen storage behavior of Sc-decorated WS_2 monolayer and WS_2 nanoribbons is systematically studied by using first principles calculations based on the density functional theory. The present results indicate that an Sc-decorated WS_2 monolayer is not suitable for storing hydrogen due to the weak interaction between the monolayer WS_2 sheet and the Sc atoms. It is found that both the hybridization mechanism and the Coulomb attraction make the Sc atoms stably adsorb on the edges of WS_2 nanoribbons without clustering. The 2Sc/WS_2 NRs system can adsorb at most eight H_2 molecules with average adsorption energy of 0.20 eV/H_2. The results show that the desorption of H_2 is possible by lowering the pressure or by increasing the temperature. (paper)

  4. Study of oxidation behaviour of Zr-based bulk amorphous alloy Zr 65 ...

    Indian Academy of Sciences (India)

    The oxidation behaviour of Zr-based bulk amorphous alloy Zr65Cu17.5Ni10Al7.5 has been studied in air environment at various temperatures in the temperature range 591–684 K using a thermogravimetric analyser (TGA). The oxidation kinetics of the alloy in the amorphous phase obeys the parabolic rate law for oxidation ...

  5. Process of DC-SC photoinjector

    International Nuclear Information System (INIS)

    Xiang Rong; Zhao Kui; Quan Shengwen; Ding Yuantao; Zhang Baocheng; Lu Xiangyang; Lin Lin; Wang Lifang; Chen Jiaer

    2004-01-01

    The DC-SC photoinjector at Beijing University is designed to provide an electron beam of average current 1 mA with the energy of 2-3 MeV and normalized rms transverse emittance of 3πmm-mrad at an 81.25 MHz repetition rate. The test facility has been completely installed in our lab. In this paper some of the ongoing experimental activities are summarized. First results from the cold test of superconducting cavity have been presented. According to the results, authors have improved the main coupler to repress the multipacting. The beam test of 100 μA on the DC gun has been done, photocathode preparation chamber can produce Cs 2 Te cathodes, and the laser system can provide laser pulse with 266 nm wavelength. The time synchronization between laser and RF power has been achieved by a timing stabilizer. A new method using 'due image pattern' of Cherenkov radiation will be commissioned to measure beam emittance. The next step is under way, to prepare all the equipment for the beam tests. (authors)

  6. Comparative study of the core level photoemission of the ZrB{sub 2} and ZrB{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Huerta, L. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, 04510 Mexico D.F. (Mexico); Duran, A. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Apartado Postal 2681, Ensenada, Baja California 22800 (Mexico); Falconi, R. [Division Academica de Ciencias Basicas, Universidad Juarez Autonoma de Tabasco, Cunduacan, Tabasco, CP 86690, AP 24 (Mexico); Flores, M. [Departamento de Ingenieria de Proyectos, CUCEI, Universidad de Guadalajara, AP 307, Zapopan Jal 45101 (Mexico); Escamilla, R., E-mail: rauleg@servidor.unam.m [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, 04510 Mexico D.F. (Mexico)

    2010-05-01

    X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) were used to investigate the binding energies and valence band for ZrB{sub 2} and ZrB{sub 12}. The Zr 3d and B 1s core levels were identified. The Zr 3d core level shows a spin-orbit split 3d{sub 5/2} and 3d{sub 3/2} while that for B 1s core level exhibited a single symmetric peak, these being typical of zirconium and boride signals. Comparing the Zr 3d and B 1s core levels with metallic Zr, B{sub 2}O{sub 3} and ZrO{sub 2} reference materials only a negative chemical shift for Zr 3d associated to ZrB{sub 2} was observed, which suggests that the charge transfer model based on the concept of electronegativity was not applicable to explain the superconductivity in the ZrB{sub 12} sample. The measured valence band using UPS is consistent with the band-structure calculations indicating a higher density of states (DOS) at E{sub F} for ZrB{sub 12} respect to ZrB{sub 2}. Finally, we found that the weak mixed B-p and Zr-d states for ZrB{sub 12} is crucial for the superconductivity due to the state population increased the DOS at the E{sub F}.

  7. First principles and phonon calculations of ZrCo and ZrCo-H systems

    International Nuclear Information System (INIS)

    Chattaraj, D.; Parida, S.C.; Dash, Smruti; Majumder, C.

    2012-01-01

    The intermetallic ZrCo is a potential material for the storage and release of hydrogen isotopes because of its high gravimetric capacity and its low hydrogen equilibrium pressure. This intermetallic is a proposed material for the safe storage, supply and delivery of hydrogen isotope in the ITER project. To investigate the suitability of ZrCo as a getter material for the storage of hydrogen isotope it is essential to know in detail the structure-property relationships in both ZrCo and its hydride. Hence, in this study, we have investigated the structural, electronic, vibrational and thermodynamic properties of ZrCo and ZrCoH 3 using the first principles and phonon calculations

  8. Effective single chain antibody (scFv) concentrations in vivo via adenoviral vector mediated expression of secretory scFv

    NARCIS (Netherlands)

    Arafat, WO; Gomez-Navarro, J; Buchsbaum, DJ; Xiang, J; Casado, E; Barker, SD; Mahasreshti, PJ; Haisma, HJ; Barnes, MN; Siegal, GP; Alvarez, RD; Hemminki, A; Nettelbeck, DM; Curiel, DT

    Single chain antibodies (scFv) represent powerful interventional agents for the achievement of targeted therapeutics. The practical utility of these agents have been limited, however, by difficulties related to production of recombinant scFv and the achievement of effective and sustained levels of

  9. Hydride vapor phase epitaxy growth of GaN, InGaN, ScN, and ScAIN

    NARCIS (Netherlands)

    Bohnen, T.

    2010-01-01

    Chemical vapor deposition (CVD); hydride vapor phase epitaxy (HVPE); gallium nitride (GaN); indium gallium nitride (InGaN); scandium nitride (ScN); scandium aluminum nitride (ScAlN); semiconductors; thin films; nanowires; III nitrides; crystal growth - We studied the HVPE growth of different III

  10. Effect of pH and fluoride on behavior of dental ZrO2 ceramics in artificial saliva

    International Nuclear Information System (INIS)

    Mukaeda, L.E.; Robin, A.; Santos, C.; Taguchi, S.P.; Borges Junior, L.A.

    2009-01-01

    A considerable increase in the ceramic products demand occurred due to the evolution of dental restoration techniques and these materials must resist to the complex mouth environment. The pH of saliva can decrease significantly due to the ingestion of acidic foods and beverages and mainly due to reactions occurring during bacteria metabolism that lead to the formation of organic acids. Fluorides are also present in the mouth since fluorides are usually added in drinking water, mouth washes, tooth pastes and gels for the prevention of plaque and caries formation. The combination of low pH and presence of fluorides can lead to the formation of HF and HF 2 - which are detrimental to metallic and probably to ceramic devices. In this work, commercial blocks of ZrO 2 ceramics (ProtMat Materiais Avancados® and Ivoclar®) were immersed in Fusayama artificial saliva of different pHs and fluoride concentrations. The properties of the as-produced ceramics (crystalline phases (XRD), microstructure (SEM), roughness (3D surface topography AFM) and mechanical resistance - Vickers hardness (Hv) and fracture toughness (KIC) were evaluated. Some of these properties were also determined after the immersion tests as well as the mass variation of the samples in order to evaluate the resistance of these ZrO 2 ceramics to degradation under these conditions. (author)

  11. Effect of pH and fluoride on behavior of dental ZrO{sub 2} ceramics in artificial saliva

    Energy Technology Data Exchange (ETDEWEB)

    Mukaeda, L.E.; Robin, A.; Santos, C.; Taguchi, S.P.; Borges Junior, L.A., E-mail: luizamukaeda@gmail.com, E-mail: alain@demar.eel.usp.br, E-mail: claudinei@demar.eel.usp.br, E-mail: simone@demar.eel.usp.br, E-mail: borges.jr@itelefonica.com.br [Universidade de Sao Paulo (EEL/DEMAR/USP), Lorena, SP (Brazil). Escola de Engenharia; Machado, J.P.B., E-mail: joaopaulo@las.inpe.br [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil)

    2009-07-01

    A considerable increase in the ceramic products demand occurred due to the evolution of dental restoration techniques and these materials must resist to the complex mouth environment. The pH of saliva can decrease significantly due to the ingestion of acidic foods and beverages and mainly due to reactions occurring during bacteria metabolism that lead to the formation of organic acids. Fluorides are also present in the mouth since fluorides are usually added in drinking water, mouth washes, tooth pastes and gels for the prevention of plaque and caries formation. The combination of low pH and presence of fluorides can lead to the formation of HF and HF{sub 2}{sup -} which are detrimental to metallic and probably to ceramic devices. In this work, commercial blocks of ZrO{sub 2} ceramics (ProtMat Materiais Avancados® and Ivoclar®) were immersed in Fusayama artificial saliva of different pHs and fluoride concentrations. The properties of the as-produced ceramics (crystalline phases (XRD), microstructure (SEM), roughness (3D surface topography AFM) and mechanical resistance - Vickers hardness (Hv) and fracture toughness (KIC) were evaluated. Some of these properties were also determined after the immersion tests as well as the mass variation of the samples in order to evaluate the resistance of these ZrO{sub 2} ceramics to degradation under these conditions. (author)

  12. Coulomb-nuclear interference measurements of 168Yb, 176Hf, 178Hf, and 180Hf and lifetime measurements in 186Hg

    International Nuclear Information System (INIS)

    Nettles, W.G.

    1979-01-01

    Alpha scattering measurements were performed at center-of-mass energies near the Coulomb barrier. These energies allow for nuclear as well as pure Coulomb forces to play a significant role in the excitation process. The interference of these two forces is very sensitive to the sign of the E4 ground-state moment, whereas pure Coulomb excitation is not. Systematics of the E4 moments of the rare earth mass region indicate a transition in the magnitude and sign of the reduced matrix element of the M(E4) operator between 0 + and 4 + states from small and positive to large and negative between Yb and W. Previous Coulomb-nuclear interference measurements show that this reduced matrix element for 180 Hf is large and negative. The present results agree with that conclusion. It is also shown that the above reduced matrix element for 178 Hf, like that of 180 Hf, is large and negative. The small and positive moment (matrix element) for 168 Yb is seen to be consistent with the experimental data. No conclusions are drawn for the E4 moment in 176 Hf. The measurement of nuclear lifetimes shorter than 500 ps requires the use of plastic scintilltor detectors. These detectors, however have very poor energy resolution. A system is described that uses plastic scintillators with a magnetic lens spectrometer for energy selection. The system was used to measure the lifetime of the 522-keV 0 + sate in 186 Hf. A data analysis method using higher-order distribution moments is also presented

  13. Investigation of Sc(3) state in nonaqueous solutions by the 45Sc NMR method of high permission

    International Nuclear Information System (INIS)

    Buslaev, Yu.A.; Kirakosyan, G.A.; Tarasov, V.P.

    1980-01-01

    The ScCl 3 + CH 3 CN and ScCl 3 + KNCS + CH 3 CN solutions have been studied by a high-resolution NMR 45 Sc method. It has been estimated that in acetonitrile solutions, with competing ligands of Cl - and NCS - being available, hexacoordination Sc(3) complexes of various compositions are formed, and solvent molecules also take part in formation of the coordination sphere of scandium. Chemical shifts in NMR 45 Sc signals depend linearly on the number of chlor- or NCS - ions bound to scandium(3). This made it possible to determine the value of chemical shifts in signals of all 28 potential complexes formed in a system with three competing ligands

  14. On the relationship between field cycling and imprint in ferroelectric Hf0.5Zr0.5O2

    Science.gov (United States)

    Fengler, F. P. G.; Hoffmann, M.; Slesazeck, S.; Mikolajick, T.; Schroeder, U.

    2018-05-01

    Manifold research has been done to understand the detailed mechanisms behind the performance instabilities of ferroelectric capacitors based on hafnia. The wake-up together with the imprint might be the most controversially discussed phenomena so far. Among crystallographic phase change contributions and oxygen vacancy diffusion, electron trapping as the origin has been discussed recently. In this publication, we provide evidence that the imprint is indeed caused by electron trapping into deep states at oxygen vacancies. This impedes the ferroelectric switching and causes a shift of the hysteresis. Moreover, we show that the wake-up mechanism can be caused by a local imprint of the domains in the pristine state by the very same root cause. The various domain orientations together with an electron trapping can cause a constriction of the hysteresis and an internal bias field in the pristine state. Additionally, we show that this local imprint can even cause almost anti-ferroelectric like behavior in ferroelectric films.

  15. Cyclotron production of {sup 43}Sc for PET imaging

    Energy Technology Data Exchange (ETDEWEB)

    Walczak, Rafał [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland); Krajewski, Seweryn [Synektik S.A., Research and Development Center, Warsaw (Poland); Szkliniarz, Katarzyna [Department of Nuclear Physics, University of Silesia, Katowice (Poland); Sitarz, Mateusz [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Abbas, Kamel [Nuclear Security Unit, Joint Research Centre, Institute for Transuranium Elements, European Commission, Ispra (Italy); Choiński, Jarosław; Jakubowski, Andrzej; Jastrzębski, Jerzy [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Majkowska, Agnieszka [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland); Simonelli, Federica [Nuclear Decommissioning Unit, Joint Research Centre, Ispra Site Management Directorate, European Commission, Ispra (Italy); Stolarz, Anna; Trzcińska, Agnieszka [Heavy Ion Laboratory, University of Warsaw, Warsaw (Poland); Zipper, Wiktor [Department of Nuclear Physics, University of Silesia, Katowice (Poland); Bilewicz, Aleksander [Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw (Poland)

    2015-12-04

    Recently, significant interest in {sup 44}Sc as a tracer for positron emission tomography (PET) imaging has been observed. Unfortunately, the co-emission by {sup 44}Sc of high-energy γ rays (E{sub γ} = 1157, 1499 keV) causes a dangerous increase of the radiation dose to the patients and clinical staff. However, it is possible to produce another radionuclide of scandium—{sup 43}Sc—having properties similar to {sup 44}Sc but is characterized by much lower energy of the concurrent gamma emissions. This work presents the production route of {sup 43}Sc by α irradiation of natural calcium, its separation and purification processes, and the labeling of [DOTA,Tyr3] octreotate (DOTATATE) bioconjugate. Natural CaCO{sub 3} and enriched [{sup 40}Ca]CaCO{sub 3} were irradiated with alpha particles for 1 h in an energy range of 14.8–30 MeV at a beam current of 0.5 or 0.25 μA. In order to find the optimum method for the separation of {sup 43}Sc from irradiated calcium targets, three processes previously developed for {sup 44}Sc were tested. Radiolabeling experiments were performed with DOTATATE radiobioconjugate, and the stability of the obtained {sup 43}Sc-DOTATATE was tested in human serum. Studies of {sup nat}CaCO{sub 3} target irradiation by alpha particles show that the optimum alpha particle energies are in the range of 24–27 MeV, giving 102 MBq/μA/h of {sup 43}Sc radioactivity which creates the opportunity to produce several GBq of {sup 43}Sc. The separation experiments performed indicate that, as with {sup 44}Sc, due to the simplicity of the operations and because of the chemical purity of the {sup 43}Sc obtained, the best separation process is when UTEVA resin is used. The DOTATATE conjugate was labeled by the obtained {sup 43}Sc with a yield >98 % at elevated temperature. Tens of GBq activities of {sup 43}Sc of high radionuclidic purity can be obtainable for clinical applications by irradiation of natural calcium with an alpha beam.

  16. [Effect of a multifunctional instrument (HF scissors) in parotis surgery].

    Science.gov (United States)

    Strauss, G; Schaller, S; Gollnick, I

    2014-03-01

    Lateral parotidectomy is a demanding surgical procedure and requires a large number of instruments with a high frequency (HF) of alternating. Many functions, such as preparing, spreading, coagulating and cutting could be combined by using scissors with an integrated function of bipolar coagulation. This study has targeted an investigation of technical application, influence on surgery time, frequency of HF application and change of instruments. In the period between 01 April 2011 and 30 September 2012 (18 months) 35 procedures of lateral parotidectomy in 35 patients were investigated. In all cases lateral parotidectomy was carried out with a similar technique (modified extracapsular preparation). Workflow data were used from a control group in the period between 01 January 2009 and 31 December 2010 (24 months). The following parameters from both groups were documented and evaluated: incision-suture times (subdivided into nine sections of the procedure), change of instruments, period of application for HF function and early facial nerve function (6 h and 6 days after surgery according to House-Brackmann). Additionally, in the HF+ group a questionnaire that facilitated subjective evaluation of instruments was analyzed. It was possible to perform the surgery in both groups with neither technical nor surgical intraoperative complications. Incision-suture times showed an average reduction of 31.6 min (34.8 %) in the HF+ group. There was a reduction in the change of instruments compared to a conventional group (CONV) by up to 62.7 %. With the deployment of HF scissors there was a clear increase in the use of HF surgery by more than 100 % when comparing incision-suture times. Evaluation of both groups according to House-Brackmann showed a similar postoperative facial nerve function. The surgeons involved were of the opinion that in all 35 surgeries with HF scissors the intervention was easier and more comfortable. The use of HF scissors is appropriate for parotid gland

  17. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO{sub 2} in its cubic and orthorhombic phase

    Energy Technology Data Exchange (ETDEWEB)

    Ponce, C A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Casali, R A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Caravaca, M A [Departamento de Fisico, Quimica, Facultad de Ingenieria, UNNE, Avenida Las Heras 727, CP 3500, Resistencia (Argentina)

    2008-01-30

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C{sub 11}, C{sub 12} and C{sub 44} for Si, ZrO{sub 2} and HfO{sub 2} in their cubic phase, and constants C{sub 11}, C{sub 22}, C{sub 33}, C{sub 12}, C{sub 13}, C{sub 23}, C{sub 44}, C{sub 55} and C{sub 66} for HfO{sub 2} in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f{sup 14} electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for.

  18. Draft revision of human factors guideline HF-010

    International Nuclear Information System (INIS)

    Lee, Hyun Chul; Lee, Yong Hee; Oh, In Seok; Lee, Jung Woon; Cha, Woo Chang; Lee, Dhong Ha

    2003-05-01

    The Application of Human Factors to the design of Man-Machine Interfaces System(MMIS) in the nuclear power plant is essential to the safety and productivity of the nuclear power plants, human factors standards and guidelines as well as human factors analysis methods and experiments are weightily used to the design application. A Korean engineering company has developed a human factors engineering guideline, so-call HF-010, and has used it for human factors design, however the revision of HF-010 is necessary owing to lack of the contents related to the advanced MMI(Man-Machine Interfaces). As the results of the reviews of HF-010, it is found out that the revision of Section 9. Computer Displays of HF-010 is urgent, thus the revision was drafted on the basis of integrated human factors design guidelines for VDT, human factors design guidelines for PMAS SPADES display, human factors design guidelines for PMAS alarm display, and human factors design guidelines for electronic displays developed by the surveillance and operation support project of KOICS. The draft revision of HF-010 Section 9 proposed in this report can be utilized for the human factors design of the advanced MMI, and the high practical usability of the draft can be kept up through the continuous revision according to the advancement of digital technology

  19. Ultimate internal pressure capacity assessment of SC structure

    International Nuclear Information System (INIS)

    Park, Hyungkui; Choi, Inkil

    2013-01-01

    An SC structure applied to a containment building can be quite effective. However, an SC structure cannot be applied to a containment building, because its internal pressure resistance performance has not been verified. The containment building, which undergoes ultimate internal pressure, resists the internal pressure through a pre-stress tendon. It is hard to apply a tendon to an SC structure because of its structural characteristics. Therefore, the internal pressure resistance performance of the SC structure itself should be ensured to apply it to a structure with internal pressure resistance. In this study, the suitability of an SC structure as a substitution for the tendon of a pressure resistant structure was evaluated. A containment structure model was used in this study, because it was representative structures that resistance of ultimate internal pressure be required. In this study, a nonlinear analysis was performed to evaluate and compare the behaviors of tendon model and SC structure model. By comparing the internal pressure-displacement according to the structure type, the stability of SC structure model was assessed

  20. Effects of hydroxyurea treatment for patients with hemoglobin SC disease.

    Science.gov (United States)

    Luchtman-Jones, Lori; Pressel, Sara; Hilliard, Lee; Brown, R Clark; Smith, Mary G; Thompson, Alexis A; Lee, Margaret T; Rothman, Jennifer; Rogers, Zora R; Owen, William; Imran, Hamayun; Thornburg, Courtney; Kwiatkowski, Janet L; Aygun, Banu; Nelson, Stephen; Roberts, Carla; Gauger, Cynthia; Piccone, Connie; Kalfa, Theodosia; Alvarez, Ofelia; Hassell, Kathryn; Davis, Barry R; Ware, Russell E

    2016-02-01

    Although hemoglobin SC (HbSC) disease is usually considered less severe than sickle cell anemia (SCA), which includes HbSS and HbS/β(0) -thalassemia genotypes, many patients with HbSC experience severe disease complications, including vaso-occlusive pain, acute chest syndrome, avascular necrosis, retinopathy, and poor quality of life. Fully 20 years after the clinical and laboratory efficacy of hydroxyurea was proven in adult SCA patients, the safety and utility of hydroxyurea treatment for HbSC patients remain unclear. Recent NHLBI evidence-based guidelines highlight this as a critical knowledge gap, noting HbSC accounts for ∼30% of sickle cell patients within the United States. To date, only 5 publications have reported short-term, incomplete, or conflicting laboratory and clinical outcomes of hydroxyurea treatment in a total of 71 adults and children with HbSC. We now report on a cohort of 133 adult and pediatric HbSC patients who received hydroxyurea, typically for recurrent vaso-occlusive pain. Hydroxyurea treatment was associated with a stable hemoglobin concentration; increased fetal hemoglobin (HbF) and mean corpuscular volume (MCV); and reduced white blood cell count (WBC), absolute neutrophil count (ANC), and absolute reticulocyte count (ARC). Reversible cytopenias occurred in 22% of patients, primarily neutropenia and thrombocytopenia. Painful events were reduced with hydroxyurea, more in patients >15 years old. These multicenter data support the safety and potentially salutary effects of hydroxyurea treatment for HbSC disease; however, a multicenter, placebo-controlled, Phase 3 clinical trial is needed to determine if hydroxyurea therapy has efficacy for patients with HbSC disease. © 2015 Wiley Periodicals, Inc.

  1. Nanoindentation of ZrO{sub 2} and ZrO{sub 2}/Zr systems by molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Zizhe; Chernatynskiy, Aleksandr; Noordhoek, Mark J.; Sinnott, Susan B.; Phillpot, Simon R., E-mail: sphil@mse.ufl.edu

    2017-04-01

    The deformation behaviors of cubic zirconia and a cubic zirconia thin film on top of an hcp zirconium substrate are investigated using molecular dynamics nanoindentation simulation. Interatomic interactions are described by the previously developed Charge Optimized Many Body (COMB) potential for the Zr-ZrO{sub 2}-O{sub 2} system. The load-displacement curves, deformation processes and hardnesses of zirconia and the zirconia/zirconium systems are characterized. In addition, by comparing with a previous nanoindentation simulation on zirconium, the effects of the zirconia layer on top on the mechanical properties of the zirconium substrate are determined.

  2. Gadolinium scandium germanide, Gd2Sc3Ge4

    Directory of Open Access Journals (Sweden)

    Sumohan Misra

    2009-04-01

    Full Text Available Gd2Sc3Ge4 adopts the orthorhombic Pu5Rh4-type structure. The crystal structure contains six sites in the asymmetric unit: two sites are statistically occupied by rare-earth atoms with Gd:Sc ratios of 0.967 (4:0.033 (4 and 0.031 (3:0.969 (3, one site (.m. symmetry is occupied by Sc atoms, and three distinct sites (two of which with .m. symmetry are occupied by Ge atoms. The rare-earth atoms form two-dimensional slabs with Ge atoms occupying the trigonal-prismatic voids.

  3. Pascal-SC a computer language for scientific computation

    CERN Document Server

    Bohlender, Gerd; von Gudenberg, Jürgen Wolff; Rheinboldt, Werner; Siewiorek, Daniel

    1987-01-01

    Perspectives in Computing, Vol. 17: Pascal-SC: A Computer Language for Scientific Computation focuses on the application of Pascal-SC, a programming language developed as an extension of standard Pascal, in scientific computation. The publication first elaborates on the introduction to Pascal-SC, a review of standard Pascal, and real floating-point arithmetic. Discussions focus on optimal scalar product, standard functions, real expressions, program structure, simple extensions, real floating-point arithmetic, vector and matrix arithmetic, and dynamic arrays. The text then examines functions a

  4. Zr-ZrO sub 2 cermet solar coatings designed by modelling calculations and deposited by dc magnetron sputtering

    CERN Document Server

    Zhang Qi Chu; Lee, K D; Shen, Y G

    2003-01-01

    High solar performance Zr-ZrO sub 2 cermet solar coatings were designed using a numerical computer model and deposited experimentally. The layer thickness and Zr metal volume fraction for the Zr-ZrO sub 2 cermet solar selective coatings on a Zr or Al reflector with a surface ZrO sub 2 or Al sub 2 O sub 3 anti-reflection layer were optimized to achieve maximum photo-thermal conversion efficiency at 80 deg. C under concentration factors of 1-20 using the downhill simplex method in multi-dimensions in the numerical calculation. The dielectric function and the complex refractive index of Zr-ZrO sub 2 cermet materials were calculated using Sheng's approximation. Optimization calculations show that Al sub 2 O sub 3 /Zr-ZrO sub 2 /Al solar coatings with two cermet layers and three cermet layers have nearly identical solar absorptance, emittance and photo-thermal conversion efficiency that are much better than those for films with one cermet layer. The optimized Al sub 2 O sub 3 /Zr-ZrO sub 2 /Al solar coating film w...

  5. Centrifugal stretching along the ground state band of 168Hf

    International Nuclear Information System (INIS)

    Costin, A.; Pietralla, N.; Reese, M.; Moeller, O.; Ai, H.; Casten, R. F.; Heinz, A.; McCutchan, E. A.; Meyer, D. A.; Qian, J.; Werner, V.; Dusling, K.; Fitzpatrick, C. R.; Guerdal, G.; Petkov, P.; Rainovski, G.

    2009-01-01

    The lifetimes of the J π =4 + , 6 + , 8 + , and 10 + levels along the ground state band in 168 Hf were measured by means of the recoil distance Doppler shift (RDDS) method using the New Yale Plunger Device (NYPD) and the SPEEDY detection array at Wright Nuclear Structure Laboratory of Yale University. Excited states in 168 Hf were populated using the 124 Sn( 48 Ti,4n) fusion evaporation reaction. The new lifetime values are sufficiently precise to clearly prove the increase of quadrupole deformation as a function of angular momentum in the deformed nucleus 168 Hf. The data agree with the predictions from the geometrical confined β-soft (CBS) rotor model that involves centrifugal stretching in a soft potential

  6. Determining characteristics of HF communications links using SuperDARN

    Directory of Open Access Journals (Sweden)

    J. M. Hughes

    2002-07-01

    Full Text Available Space weather effects can strongly influence high-frequency (HF communications by changing the ionospheric environment through which the radio waves propagate. Since many systems utilize HF communications, the ability to make real-time assessments of propagation conditions is an important part of space weather monitoring systems. In this paper, we present new techniques for measuring high-latitude HF communications link parameters using data from SuperDARN radars. These techniques use ground-scatter returns to define the variation in skip distance with frequency. From these data, the maximum usable frequency (MUF as a function of range is determined and ionospheric critical frequencies are estimated. These calculations are made in near-real-time and the results are made available on the World Wide Web. F-region critical frequencies calculated using this method show good agreement with ionosonde data.Key words. Ionosphere (active experiments; instruments and techniques – Radio science (ionospheric propagation

  7. Determining characteristics of HF communications links using SuperDARN

    Directory of Open Access Journals (Sweden)

    J. M. Hughes

    Full Text Available Space weather effects can strongly influence high-frequency (HF communications by changing the ionospheric environment through which the radio waves propagate. Since many systems utilize HF communications, the ability to make real-time assessments of propagation conditions is an important part of space weather monitoring systems. In this paper, we present new techniques for measuring high-latitude HF communications link parameters using data from SuperDARN radars. These techniques use ground-scatter returns to define the variation in skip distance with frequency. From these data, the maximum usable frequency (MUF as a function of range is determined and ionospheric critical frequencies are estimated. These calculations are made in near-real-time and the results are made available on the World Wide Web. F-region critical frequencies calculated using this method show good agreement with ionosonde data.

    Key words. Ionosphere (active experiments; instruments and techniques – Radio science (ionospheric propagation

  8. Densification and properties of HfB2 based materials

    International Nuclear Information System (INIS)

    Sonber, J.K.; Ch Murthy, T.S.R.; Bedse, R.D.; Subramanian, C.; Kumar, Sunil; Fotedar, R.K.; Krishnamurthy, N.; Suri, A.K.

    2011-01-01

    This paper presents the results of investigation carried out on densification and properties of HfB 2 based materials. Densification study of HfB 2 with and without sinter additive was carried out by hot pressing. TiSi 2 and CrSi 2 were used as sinter additive. Monolithic HfB 2 was densified to only 80%ρ th at 1850 deg C with a pressure of 35 MPa. Addition of 10 wt% TiSi 2 resulted in a density of 95% TD at a relatively low temperature of 1650 deg C and a low pressure of 20 MPa. Addition of 10% CrSi 2 resulted in a density of 99% TD at the same operating conditions. All the samples were characterized by SEM/EDS and mechanical property measurement. (author)

  9. Creep properties of Nb-1Zr and Nb-1Zr-0.1C

    International Nuclear Information System (INIS)

    Horak, J.A.; Egner, L.K.

    1994-12-01

    In the early 1980s a compact, lithium cooled, fast-energy spectrum nuclear reactor was selected for space applications requiring prolonged uninterrupted electrical power. This reactor was to be capable of generating up to 100 kilowatts of electricity for times up to seven years in space and thus was given the acronym SP-100. The material selected for the fuel cladding, reactor heat transport systems and structural components was Nb-1 wt % Zr (Nb-1Zr). In addition to commercial Nb-1Zr, modified alloys containing 100--200 wt ppM each of carbon and nitrogen and 900 ± 150 wt ppM carbon were also included, Type B Nb-1Zr and PWC-11, respectively. The SP-100 reactor was designed to operate at temperatures of 1290--1425 K. At these temperatures the principal mode of deformation for Nb-1Zr is creep, and creep strain of the fuel cladding limits the useful reactor lifetime. To develop a creep data base for design, safety and reliability analyses, uniaxial creep testing of Nb-1Zr, Type B Nb-1Zr and PWC-11 was conducted from 1250--1450 K at stresses from 5.0 MPa to 41.4 MPa. Methodology and test results are presented

  10. Optical properties of Ar ions irradiated nanocrystalline ZrC and ZrN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Martin, C. [Ramapo College of New Jersey, Mahwah, NJ 07430 (United States); Miller, K.H. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Makino, H. [Research Institute, Kochi University of Technology, Kami, Kochi, 782-8502 (Japan); Craciun, D. [National Institute for Laser, Plasma, and Radiation Physics, Bucharest-Magurele (Romania); Simeone, D. [CEA/DEN/DANS/DM2S/SERMA/LEPP-LRC CARMEN CEN Saclay France & CNRS/ SPMS UMR8785 LRC CARMEN, Ecole Centrale de Paris, F92292, Chatenay Malabry (United States); Craciun, V., E-mail: valentin.craciun@inflpr.ro [National Institute for Laser, Plasma, and Radiation Physics, Bucharest-Magurele (Romania)

    2017-05-15

    Employing wide spectral range (0.06–6 eV) optical reflectance measurements and high energy X-ray photoemission spectroscopy (HE-XPS), we studied the effect of 800 keV Ar ion irradiation on optical and electronic properties of nanocrystalline ZrC and ZrN thin films, which were obtain by the pulsed laser deposition technique. Both in ZrC and ZrN, we observed that irradiation affects the optical properties of the films mostly at low frequencies, which is dominated by the free carriers response. In both materials, we found a significant reduction in the free carriers scattering rate and an increase of the zero frequency conductivity, i.e. possible increase in mobility, at higher irradiation fluence. This is consistent with our previous findings that irradiation affects the crystallite size and the micro-strain, but it does not induce major changes in the chemical bonding. HE-XPS investigations further confirms the stability of the Zr-C and Zr-N bonds, despite a small increase in the surface region of the Zr-O bonds fraction with increasing irradiation fluence.

  11. HF-START: A Regional Radio Propagation Simulator

    Science.gov (United States)

    Hozumi, K.; Maruyama, T.; Saito, S.; Nakata, H.; Rougerie, S.; Yokoyama, T.; Jin, H.; Tsugawa, T.; Ishii, M.

    2017-12-01

    HF-START (HF Simulator Targeting for All-users' Regional Telecommunications) is a user-friendly simulator developed to meet the needs of space weather users. Prediction of communications failure due to space weather disturbances is of high priority. Space weather users from various backgrounds with high economic impact, i.e. airlines, telecommunication companies, GPS-related companies, insurance companies, international amateur radio union, etc., recently increase. Space weather information provided by Space Weather Information Center of NICT is, however, too professional to be understood and effectively used by the users. To overcome this issue, I try to translate the research level data to the user level data based on users' needs and provide an immediate usable data. HF-START is positioned to be a space weather product out of laboratory based truly on users' needs. It is originally for radio waves in HF band (3-30 MHz) but higher frequencies up to L band are planned to be covered. Regional ionospheric data in Japan and southeast Asia are employed as a reflector of skywave mode propagation. GAIA (Ground-to-topside model of Atmosphere and Ionosphere for Aeronomy) model will be used as ionospheric input for global simulation. To evaluate HF-START, an evaluation campaign for Japan region will be launched in coming months. If the campaign successes, it will be expanded to southeast Asia region as well. The final goal of HF-START is to provide the near-realtime necessary radio parameters as well as the warning message of radio communications failure to the radio and space weather users.

  12. Nanotube morphology changes for Ti-Zr alloys as Zr content increases

    International Nuclear Information System (INIS)

    Kim, Won-Gi; Choe, Han-Cheol; Ko, Yeong-Mu; Brantley, William A.

    2009-01-01

    Nanotube morphology changes in Ti-Zr alloys as Zr content increases have been investigated. Ti-Zr (10, 20, 30 and 40 wt.%) alloys were prepared by arc melting and heat treated for 24 h at 1000 o C in an argon atmosphere. TiO 2 nanotubes were formed on the Ti-Zr alloys by anodization in H 3 PO 4 containing 0.5 wt.% NaF. Electrochemical experiments were performed using a conventional three-electrode configuration with a platinum counter electrode and a saturated calomel reference electrode. Samples were embedded in epoxy resin, leaving an area of 10 mm 2 exposed to the electrolyte. Anodization was carried out using a scanning potentiostat, and all experiments were conducted at room temperature. Microstructures of the alloys were examined by optical microscopy (OM), field emission scanning electron microscopy (FE-SEM) and x-ray diffraction (XRD). The Ti-Zr alloy microstructures observed by OM and FE-SEM changed from a lamellar structure to a needle-like structure with increasing Zr content. The microstructures also changed from β phase to increasing amounts of α phase as the Zr content increased. The number of large nanotubes formed by anodization decreased, and the number of small nanotubes increased, as the Zr content increased. The mean inner diameter ranged from approximately 150 to 200 nm with a tube-wall thickness of about 20 nm. The interspace between the nanotubes was approximately 60, 70, 100 and 130 nm for Zr contents of 10, 20, 30 and 40 wt.%, respectively.

  13. Infectivity-associated PrP(Sc) and disease duration-associated PrP(Sc) of mouse BSE prions.

    Science.gov (United States)

    Miyazawa, Kohtaro; Okada, Hiroyuki; Masujin, Kentaro; Iwamaru, Yoshifumi; Yokoyama, Takashi

    2015-01-01

    Disease-related prion protein (PrP(Sc)), which is a structural isoform of the host-encoded cellular prion protein, is thought to be a causative agent of transmissible spongiform encephalopathies. However, the specific role of PrP(Sc) in prion pathogenesis and its relationship to infectivity remain controversial. A time-course study of prion-affected mice was conducted, which showed that the prion infectivity was not simply proportional to the amount of PrP(Sc) in the brain. Centrifugation (20,000 ×g) of the brain homogenate showed that most of the PrP(Sc) was precipitated into the pellet, and the supernatant contained only a slight amount of PrP(Sc). Interestingly, mice inoculated with the obtained supernatant showed incubation periods that were approximately 15 d longer than those of mice inoculated with the crude homogenate even though both inocula contained almost the same infectivity. Our results suggest that a small population of fine PrP(Sc) may be responsible for prion infectivity and that large, aggregated PrP(Sc) may contribute to determining prion disease duration.

  14. Solid-State NMR Spectroscopy Proves the Presence of Penta-coordinated Sc Sites in MIL-100(Sc).

    Science.gov (United States)

    Giovine, Raynald; Volkringer, Christophe; Ashbrook, Sharon E; Trébosc, Julien; McKay, David; Loiseau, Thierry; Amoureux, Jean-Paul; Lafon, Olivier; Pourpoint, Frédérique

    2017-07-18

    Advanced solid-state NMR methods and first-principles calculations demonstrate for the first time the formation of penta-coordinated scandium sites. These coordinatively unsaturated sites were shown during the thermal activation of scandium-based metal-organic frameworks (MOFs). A 45 Sc NMR experiment allows their specific observation in activated Sc 3 BTB 2 (H 3 BTB=1,3,5-tris(4-carboxyphenyl)benzene) and MIL-100(Sc) MOFs. The assignment of the ScO 5 groups is supported by the DFT calculations of NMR parameters. The presence of ScO 5 Lewis acid sites in MIL-100(Sc) explains furthermore its catalytic activity. The first NMR experiment to probe 13 C- 45 Sc distances is also introduced. This advanced solid-state NMR pulse sequence allows the demonstration of the shrinkage of the MIL-100(Sc) network when the activation temperature is raised. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Oxidation behavior of Hf-modified platinum aluminide coatings during thermal cycling

    Directory of Open Access Journals (Sweden)

    Liya Ye

    2018-02-01

    Full Text Available Platinum aluminide coatings with different Hf contents were fabricated by using HfCl4. The oxidation kinetics and the rumpling behavior of oxide scale were investigated. After thermal cycling, the coating with 0.46 wt% Hf showed least weight gain. With the increase of Hf content, rumpling extent of the scale decreased. Meanwhile, HfO2 preferentially formed in the scale resulting in the increase of scale thickness. The oxidation of excessive Hf even caused the spallation of the scale. The results in the present study indicate that although Hf plays an important role in decreasing rumpling extent of TGO, the oxidation of Hf decreases the adhesion of the scale. Keywords: Pt-Al coating, Hf, Oxidation, Rumpling

  16. European coordination for coastal HF radar data in EMODnet Physics

    Science.gov (United States)

    Mader, Julien; Novellino, Antonio; Gorringe, Patrick; Griffa, Annalisa; Schulz-Stellenfleth, Johannes; Montero, Pedro; Montovani, Carlo; Ayensa, Garbi; Vila, Begoña; Rubio, Anna; Sagarminaga, Yolanda

    2015-04-01

    Historically, joint effort has been put on observing open ocean, organizing, homogenizing, sharing and reinforcing the impact of the acquired information based on one technology: ARGO with profilers Argo floats, EuroSites, ESONET-NoE, FixO3 for deep water platforms, Ferrybox for stations in ships of opportunities, and GROOM for the more recent gliders. This kind of networking creates synergies and makes easier the implementation of this source of data in the European Data exchange services like EMODnet, ROOSs portals, or any applied services in the Blue economy. One main targeted improvement in the second phase of EMODnet projects is the assembling of data along coastline. In that sense, further coordination is recommended between platform operators around a specific technology in order to make easier the implementation of the data in the platforms (4th EuroGOOS DATAMEQ WG). HF radar is today recognized internationally as a cost-effective solution to provide high spatial and temporal resolution current maps (depending on the instrument operation frequency, covering from a few kilometres offshore up to 200 km) that are needed for many applications for issues related to ocean surface drift or sea state characterization. Significant heterogeneity still exists in Europe concerning technological configurations, data processing, quality standards and data availability. This makes more difficult the development of a significant network for achieving the needed accessibility to HF Radar data for a pan European use. EuroGOOS took the initiative to lead and coordinate activities within the various observation platforms by establishing a number of Ocean Observing Task Teams such as HF-Radars. The purpose is to coordinate and join the technological, scientific and operational HF radar communities at European level. The goal of the group is on the harmonization of systems requirements, systems design, data quality, improvement and proof of the readiness and standardization of

  17. HF-induced airglow at magnetic zenith: theoretical considerations

    Directory of Open Access Journals (Sweden)

    E. V. Mishin

    2005-01-01

    Full Text Available Observations of airglow at 630nm (red line and 557.7nm (green line during HF modification experiments at the High Frequency Active Auroral Research Program (HAARP heating facility are analyzed. We propose a theoretical framework for understanding the generation of Langmuir and ion acoustic waves during magnetic zenith injections. We show that observations of HF-induced airglow in an underdense ionosphere as well as a decrease in the height of the emitting volume are consistent with this scenario.

  18. Structure of zirconium-93 and zirconium-91 as shown by the reactions Zr-92(d,p)Zr-93 and Zr-92(d,t)Zr-91

    Science.gov (United States)

    Baron, N.; Leonard, R. F.; Stewart, W. M.; Fink, C. L.; Christensen, P. R.; Nickles, J.; Thorsteinsen, T. F.

    1972-01-01

    Deuterons of 13-MeV incident energy were scattered from Zr-92(d,p)Zr-93. The Zr-92(d,p)Zr-93 data analysis resulted in the location of 47 levels up to an excitation energy of 4.84 MeV, and the spins of 43 of these levels were identified. Essentially all the strength of the 2d5/2, 3s1/2, 2d3/2, and 1g7/2 shells was observed; and the excitation energy of their centroids was computed to be 0.00, 1.21, 2.23, and 2.37 MeV, respectively. Also, 43 percent of the 1h11/2 strength, 21 percent of the 2f7/2 strength, and 3 percent of the 3p3/2 strength were observed. In addition, the Zr-92(d,t)Zr-91 data analysis resulted in the location of 26 levels up to an excitation energy of 4.01 MeV, and the spins of 21 of these levels were identified. Most of the expected strength of the 2d5/2 and 1g9/2 shells was obtained, and the excitation energy of their centroids was computed to be 0.31 and 3.19 MeV, respectively. In addition, six l=1 states are populated belonging to either the 2p1/2 or 2p3/2 shells.

  19. Al2TiO5-ZrTiO4-ZrO2 composites

    International Nuclear Information System (INIS)

    Parker, F.J.

    1990-01-01

    The characterization and properties of ceramic composites containing the phases Al 2 TiO 5 , ZrTiO 4 , and ZrO 2 are described. The low thermal expansions are apparently due to a combination of microcracking by the titanate phases and a contractive phase transformation by the ZrO 2 . The crystal chemistry and microstructure of the product are processing dependent. Although the composites represent a complex microcracking system, the low thermal expansions and high-temperature stability make them potential candidates for commercial application requiring thermal shock resistance

  20. Arc melting and homogenization of ZrC and ZrC + B alloys

    Science.gov (United States)

    Darolia, R.; Archbold, T. F.

    1973-01-01

    A description is given of the methods used to arc-melt and to homogenize near-stoichiometric ZrC and ZrC-boron alloys, giving attention to the oxygen contamination problem. The starting material for the carbide preparation was ZrC powder with an average particle size of 4.6 micron. Pellets weighing approximately 3 g each were prepared at room temperature from the powder by the use of an isostatic press operated at 50,000 psi. These pellets were individually melted in an arc furnace containing a static atmosphere of purified argon. A graphite resistance furnace was used for the homogenization process.

  1. Time-temperature-transformation diagram of Zr-based Zr-Al-Cu-Ni metallic glasses

    International Nuclear Information System (INIS)

    Goh, T.T.; Li, Y.; Ng, S.C.

    1996-01-01

    The critical cooling rates R c for glass formation in four Zr-based Zr-Al-Cu-Ni alloys were determined using techniques developed by Uhlmann based on theories of homogeneous nucleation, crystal growth and transformation kinetics. It involves the construction of a time-temperature-transformation curve which requires the knowledge of the viscosity-temperature curve of the alloys. Two types of viscosity-temperature expressions, namely Andrade expression and Doolittle expression, were used to model the viscosity of the Zr-based alloys and the choice of the viscosity-temperature expression which gives the best estimate of the calculated time-temperature-transformation curve is discussed. (author)

  2. Local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys investigated by EXAFS method

    International Nuclear Information System (INIS)

    Antonowicz, J.; Pietnoczka, A.; Zalewski, W.; Bacewicz, R.; Stoica, M.; Georgarakis, K.; Yavari, A.R.

    2011-01-01

    Research highlights: → Coordination number, interatomic distances and mean square atomic displacement in Zr-Cu and Zr-Cu-Al glasses. → Icosahedral symmetry in local atomic structure. → Deviation from random mixing behavior resulting from Al addition. - Abstract: We report on extended X-ray absorption fine structure (EXAFS) study of rapidly quenched Zr-Cu and Zr-Cu-Al glassy alloys. The local atomic order around Zr and Cu atoms was investigated. From the EXAFS data fitting the values of coordination number, interatomic distances and mean square atomic displacement were obtained for wide range of compositions. It was found that icosahedral symmetry rather than that of corresponding crystalline analogs dominates in the local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys. Judging from bonding preferences we conclude that addition of Al as an alloying element results in considerable deviation from random mixing behavior observed in binary Zr-Cu alloys.

  3. A peristaltic pump driven 89Zr separation module

    DEFF Research Database (Denmark)

    Siikanen, J.; Peterson, M.; Tran, T.

    2012-01-01

    To facilitate the separation of 89Zr produced in yttrium foils, an automated separation module was designed and assembled. The module separates more than 85% of produced 89Zr - activity in 3 g foils in less than 90 min. About 10 % remains in the dissolving vial. The quality of the separated 89Zr...

  4. Magnetic properties of Dy/Zr multilayers

    International Nuclear Information System (INIS)

    Luche, M.C.; Boyer, P.

    1992-01-01

    [Dy(xA)/Zr(30A)] n superlattices (x ≤ 30), were evaporated under ultra-high vacuum on Si(100) substrates. Magnetization measurements indicate that the antiferromagnetic transition occurring at 178K in bulk Dy is suppressed in the multilayers. This phenomenon is attributed to magnetoelastic effects induced by strains at Zr/Dy interfaces. A perpendicular magnetic anisotropy takes place for x ≤ 15. However, the magnetic anisotropy is found to depend markedly on the technique used for Dy deposition. (author). 11 refs., 4 figs

  5. Lifetime and g-factor measurements in 44Sc

    International Nuclear Information System (INIS)

    Chevallier, A.; Chavallier, J.; Gross, J.L.; Haas, B.; Schulz, N.; Styczen, J.; Toulemonde, M.

    1975-01-01

    The lifetimes of the 235 keV, 2 - state and 350 keV, 4 + state in 44 Sc have been measured via the 44 Ca(p, n) 44 Sc reaction with a pulsed proton beam. The time integral perturbed angular distribution technique with an external field was used to measure the precession angles of the 2 - and 4 + states populated by the 30 Si( 16 O, pnγ) 44 Sc reaction. The following values for the mean-lives and g-factors were obtained: π(2 - ) = 8.83(33) ns, g(2 - ) = 0.30(13) and π(4 + ) = 4.52(27)ns, g(4 + ) = 0.90(12). The results for the 2 - state support a rotational description of the negative parity states in 44 Sc. The magnetic moment of the 4 + state is compared to shell model predictions. (orig.) [de

  6. Design of SC walls and slabs for impulsive loading

    Energy Technology Data Exchange (ETDEWEB)

    Varma, Amit H. [Purdue Univ., West Lafayette, IN (United States)

    2015-11-11

    Reinforced concrete (RC) structures have historically been the preferred choice for blast resistant structures because of their mass and the ductility provided by steel reinforcement. Steel-plate composite (SC) walls are a viable alternative to RC for protecting the infrastructure against explosive threats. SC structures consist of two steel faceplates with a plain concrete core between them. The steel faceplates are anchored to the concrete using stud anchors and connected to each other using tie bars. SC structures provide mass from the concrete infill and ductility from the continuous external steel faceplates. This dissertation presents findings and recommendations from experimental and analytical investigations of the performance of SC walls subjected to far-field blast loads.

  7. The data acquisition system (DAS) for the improved CERN SC

    CERN Document Server

    Beger, H; Fiebig, A; Schroot, H

    1975-01-01

    A digital data acquisition system (DAS) based on a minicomputer is described which registers the failure sequences in various equipment areas of the CERN synchrocyclotron (henceforward referred to as the SC). The avalanches of failure signals which occur from time to time are tapped from the alarm/security systems, time-resolved to 10 msec and recorded on a printer in order to aid SC failure diagnosis. The mechanisms of the DAS and its relation to the SC equipment are explained in some detail. All programs were constructed at assembler language level for speed and for ease of on-line program maintenance. The alarm sequences recorded have been of considerable help during the running in of the new radiofrequency system. Now that the new SC is operational, the DAS furnishes useful data from several equipment areas to the operators and engineers.

  8. Cytogenetic diagnosis of Roberts SC phocomelia syndrome: First ...

    African Journals Online (AJOL)

    Tahir M. Malla

    2015-07-14

    /licenses/by-nc-nd/4.0/). 1. Introduction. Roberts SC phocomelia syndrome is an autosomal recessive developmental disorder characterized by pre and postnatal growth retardation, microcephaly, craniofacial anomalies,.

  9. Value determination of ZrO2 in-house reference material (RM) candidate

    International Nuclear Information System (INIS)

    Susanna Tuning Sunanti; Samin; Supriyanto C

    2013-01-01

    The value determination of zirconium oxide in-house reference materials (RM) candidate has been done by referring to ISO:35-2006 standard. The raw material of RM was 4 kg of ZrO 2 , Merck, that was dried at 90°C for 2×6 hours in a closed room. The samples were crushed with stainless steel (SS) pestle to pass ≤ 200 mesh sieve, homogenized in a homogenizer for 3×6 hours to obtain the powdered, dried and homogenous samples. The gravimetric method was performed to test the moisture content, while XRF and AAS methods were used to test the homogeneity and stability of samples candidates. Reference material (RM) candidates of ZrO 2 powder were put into polyethylene bottles, each weighing 100 g. Samples were distributed to 10 testing laboratories that have been accredited for testing the composition of the oxide contents and loss of ignition (LOI) using variety of analytical methods that have been validated such as AAS, XRF, NAA, and UV-Vis. The testing results of oxide content and loss of ignition parameters from various laboratories were analyzed using statistical methods. The testing data of oxide concentration in zirconium oxide RM candidates obtained from various laboratories were ZrO 2 : 97.7334 ± 0.0016%, HfO 2 : 1.7329 ± 0.0024%, SiO 2 : 30.1224 ± 0.0053%, Al 2 O 3 : 0.0245 ± 0.0015%, TiO 2 : 0.0153 ± 0.0006%, Fe 2 O 3 : 0.0068 ± 0.0005%, CdO: 3.1798 ± 0.00006 ppm, and the LOI results was = 0.0217 ± 0.00022%. (author)

  10. Development of SC structure modularization in Nuclear Power Plant

    International Nuclear Information System (INIS)

    Mun, Taeyoup

    2008-01-01

    New Focus on NPP are Rising Concerns on Global Warming, Potential energy crisis (geo-political), Improved reliability and safety of nuclear power plant, Advent of Generation 3+ NPP technology and Economical Energy Resource. New NPPs are 6 units in Korea and 23 in Asia being built, 32 units being planned in China by 2020 (150 by 2050), 10 units being planned in US by 2020 and IAEA expects $200 billions on NPP construction next 25 years (up to 30% of total world energy). □ SC(Steel Plate Concrete) structure · Steel Plate is used as a Structural Element instead of Reinforcing Bars in RC · SC structure consists of Steel Plate with Headed Studs. Connected by Tie-bars - The Primary Purpose of Tie-bars is to Stiffen and Hold Together the Plates during Construction Process - Headed Studs are Welded to the Inside of Steel Plate for composite action □ Benefits of SC Structure · Shorten Construction Duration for Re bar, Forming and Scaffolding Works · Minimize Site Labors · Improve the Construction Quality · Enable Construction Sites to be kept Clean □ SC Modularization · Fit for Modular Construction for Structural Features · Fit for Modular Construction for Structural Features · Inattentively Effective for Integrated Modules · Pre-fabrication, Pre-assembly and Modularization □ Project Overview · Project Name: Development of SC structure for Modularization in NPP · Project Type: Electric Power Industry R and D (Ministry of Knowledge Economy) · Duration: Sep. 2005 ∼ Aug. 2008 (36 Months) · Research Team and Scopes - Project Management: Korea Hydro and Nuclear Power Company (KHNP) - Development of Code and Standards for SC Structure: Korea Society of Steel Construction (KSSC) Korea Electric Power Research Institute (KEPRI) - Development of SC Structural Analysis and Design: Korea Power Engineering Company (KOPEC) - Development of Construction Techniques for SC Modularization: KHNP, Korea Institute of Nuclear Safety(KINS), KOPEC □ Performance

  11. Electrochemical Characterization of Ni/(Sc)YSZ Electrodes

    DEFF Research Database (Denmark)

    Ramos, Tania; Thydén, Karl Tor Sune; Mogensen, Mogens Bjerg

    2010-01-01

    Investigations of Ni/(Sc)YSZ cermets for solid oxide cells (SOCs) were performed by electrochemical impedance spectroscopy (EIS), under varying experimental conditions and upon redox cycling, using three different designs of symmetric cells. The deconvolution and fitting of the obtained impedance...... parameters. Initial degradation results for both Ni/ScYSZ and Ni/YSZ based anodes under very high steam content are also reported. ©2010 COPYRIGHT ECS - The Electrochemical Society...

  12. Mathematical models of some geomagnetic storms with SC

    International Nuclear Information System (INIS)

    Ivanova, P.K.

    1990-01-01

    Regressive equations for H horizontal component of three geomagnetic storms with Sc:0.1.03.82, 24.01.74 and 23.03.69 -are calculated using step-by-step regression analysis. These equations relate H with parameters of solar wind and interplanetary magnetic field. Nonlinear, square, logarithmic and trigonometric dependences are considered, as well. Most essential parameters, which contribute mostly into Sc, are determined from multiplicity (46 factors) of independent parameters

  13. Hf-Nd Isotopes in West Philippine Basin Basalts: Results from International Ocean Discovery Program (IODP) Site U1438 and Implications for the Early History of the Izu-Bonin-Mariana (IBM) Subduction System

    Science.gov (United States)

    Yogodzinski, G. M.; Hocking, B.; Bizimis, M.; Hickey-Vargas, R.; Ishizuka, O.; Bogus, K.; Arculus, R. J.

    2015-12-01

    Drilling at IODP Site U1438, located immediately west of Kyushu-Palau Ridge (KPR), the site of IBM subduction initiation, penetrated 1460 m of volcaniclastic sedimentary rock and 150 m of underlying basement. Biostratigraphic controls indicate a probable age for the oldest sedimentary rocks at around 55 Ma (51-64 Ma - Arculus et al., Nat Geosci in-press). This is close to the 48-52 Ma time period of IBM subduction initiation, based on studies in the forearc. There, the first products of volcanism are tholeiitic basalts termed FAB (forearc basalt), which are more depleted than average MORB and show subtle indicators of subduction geochemical enrichment (Reagan et al., 2010 - Geochem Geophy Geosy). Shipboard data indicate that Site U1438 basement basalts share many characteristics with FABs, including primitive major elements (high MgO/FeO*) and strongly depleted incompatible element patterns (Ti, Zr, Ti/V and Zr/Y below those of average MORB). Initial results thus indicate that FAB geochemistry may have been produced not only in the forearc, but also in backarc locations (west of the KPR) at the time of subduction initiation. Hf-Nd isotopes for Site 1438 basement basalts show a significant range of compositions from ɛNd of 7.0 to 9.5 and ɛHf of 14.5 to 19.8 (present-day values). The data define a well-correlated and steep array in Hf-Nd isotope space. Relatively radiogenic Hf compared to Nd indicates an Indian Ocean-type MORB source, but the dominant signature, with ɛHf >16.5, is more radiogenic than most Indian MORB. The pattern through time is from more-to-less radiogenic and more variable Hf-Nd isotopes within the basement section. This pattern culminates in basaltic andesite sills, which intrude the lower parts of the sedimentary section. The sills have the least radiogenic compositions measured so far (ɛNd ~6.6, ɛHf ~13.8), and are similar to those of boninites of the IBM forearc and modern IBM arc and reararc rocks. The pattern within the basement

  14. Compliant ferroelastic domains in epitaxial Pb(Zr,Ti)O{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Feigl, L.; McGilly, L. J.; Sandu, C. S.; Setter, N. [Ceramics Laboratory, EPFL - Swiss Federal Institute of Technology, Lausanne CH-1015 (Switzerland)

    2014-04-28

    Ordered patterns of highly compliant ferroelastic domains have been created by use of tensile strained epitaxial Pb(Zr,Ti)O{sub 3} thin films, of very low defect density, grown on DyScO{sub 3} substrates. The effect of 180° switching on well-ordered a/c 90° domain patterns is investigated by a combination of transmission electron microscopy, piezoelectric force microscopy, and X-ray diffraction. It is shown that ferroelastic a-domains, having an in-plane polarization, can be created and completely removed on a local level by an out-of-plane electric field. The modifications of the ferroelastic domain pattern can be controlled by varying the parameters used during switching with a piezoresponse force microscope to produce the desired arrangement.

  15. Site preference of Zr in Ti 3 Al and phase stability of Ti 2 ZrAl

    Indian Academy of Sciences (India)

    Calculated values of equilibrium lattice parameters, heat of formation and bulk modulus of Ti2ZrAl are presented. The basis for the structural stability and bonding are analysed in terms of the density of states. Between the two possible 2-like structures, Ti2ZrAl shows enhanced stability for the one where Zr is substituted in ...

  16. α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: new quaternary mixed metal oxides composed of only second-order Jahn-Teller distortive cations.

    Science.gov (United States)

    Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2013-10-07

    Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.

  17. Influence of rotation on multiphoton processes in HF

    International Nuclear Information System (INIS)

    Broeckhove, J.; Feyen, B.; Van Leuven, P.

    1994-01-01

    In this contribution, the authors are concerned with the role of rotational motion in multiphoton processes induced by a laser field of high intensity. The authors use the pseudospectral split operator method for the propagation of the quantum wave-function. The rotation is treated by decomposition of the HF wave-function in its angular momentum components

  18. lambda-3, Sandia's 100-J HF laser system

    International Nuclear Information System (INIS)

    Klein, R.A.

    1979-09-01

    Sandia's lambda-geometry intermediate electron-beam-initiated HF amplifier is described in sufficient detail such that a similar system could be designed, constructed and characterized. Items included are the design of the laser cell, magnetic field design and measurements, electron-beam calorimetry, and typical laser results

  19. COPD predicts mortality in HF: the Norwegian Heart Failure Registry.

    Science.gov (United States)

    De Blois, Jonathan; Simard, Serge; Atar, Dan; Agewall, Stefan

    2010-03-01

    Chronic obstructive pulmonary disease (COPD) and chronic heart failure (HF) are common clinical conditions that share tobacco as a risk factor. Our aim was to evaluate the prognostic impact of COPD on HF patients. The Norwegian Heart Failure Registry was used. The study included 4132 HF patients (COPD, n = 699) from 22 hospitals (mean follow-up, 13.3 months). COPD patients were older, more often smokers and diabetics, less often on beta-blockers and had a higher heart rate. They were more often in New York Heart Association (NYHA) Class III or IV (COPD, 63%; no COPD, 51%), although left ventricular ejection fraction (LVEF) distribution was similar. COPD independently predicted death (adjusted hazard ratio [HR], 1.188; 95% CI: 1.015 to 1.391; P = 0.03) along with age, creatinine, NYHA Class III/IV (HR, 1.464; 95% CI: 1.286 to 1.667) and diabetes. beta-blockers at baseline were associated with improved survival in patients with LVEF < or =40% independently of COPD. COPD is associated with a poorer survival in HF patients. COPD patients are overrated in terms of NYHA class in comparison with patients with similar LVEF. Nonetheless, NYHA class remains the strongest predictor of death in these patients. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  20. Research of HF and HV circuit with Pspice

    International Nuclear Information System (INIS)

    Guo Jianjiang; Li Quanfeng; Zheng Shuxin; Li Wenjun; Tang Chuanxiang

    2005-01-01

    Transferring HF and HV pulse with 3 kinds of components is discussed. Terminal volt waves was got using the soft of Pspice when transmission line is matching of load in 3 kinds of condition. It is proved by experiments that the results got from Pspice have important values to improve experiment circuit. (authors)

  1. Phase diagram of the ternary Zr-Ti-Sn system

    International Nuclear Information System (INIS)

    Arias, D.; Gonzalez Camus, M.

    1987-01-01

    It is well known that Ti stabilizes the high temperature cubic phase of Zr and that Sn stabilizes the low temperature hexagonal phase of Zr. The effect of Sn on the Zr-Ti diagram has been studied in the present paper. Using high purity metals, nine different alloys have been prepared, with 4-32 at % Ti, 0.7-2.2 at % Sn and Zr till 100%. Resistivity and optical and SEM metallography techniques have been employed. Effect of some impurities have been analyzed. The results are discussed and different isothermic sections of the ternary Zr-Ti-Sn diagram are presented. (Author) [es

  2. Mechanical testings on hydrurated Zr, Zry-4 and Zr-2.5 Nb under neutronic irradiation

    International Nuclear Information System (INIS)

    Vazquez, Carolina A.; Fortis, Ana M.

    2007-01-01

    In this work the measurements of irradiation hardening made on hydrurated and irradiated Zr and Zr alloys are presented. The irradiations were carried out in the RA-1 reactor at neutron fluences below those were the inhomogeneities of the deformation occur. It is observed an important difference in the mechanical behavior between the alloys according to the thermal treatments and the hydrogen contents. (author) [es

  3. Development of Zr alloys - Fabrication of Zr-Nb alloy used in PHWRs

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kang In; Kim, Won Baek; Choi, Guk Sun; Lee, Chul Kyung; Jang, Dae Kyu; Seo, Chang Yeol; Sim, Kun Joo; Lee, Jae Cheon [Korea Institute of Geology Mining and Materials, Taejon (Korea, Republic of)

    1996-07-01

    The manufacture of Zr-Nb alloy ingot by EB melting process is carried out to meet the chemical composition and mechanical and property specifications and to ensure that the ingots are free of unacceptable defects through this study. It was established that Zr-Nb alloy was made by EB melting technique including the control of adding elements, melting power and melting and cast device. 28 refs., 13 tabs., 26 figs., 23 ills. (author)

  4. A flexible, high-performance magnetoelectric heterostructure of (001) oriented Pb(Zr0.52Ti0.48)O3 film grown on Ni foil

    Science.gov (United States)

    Palneedi, Haribabu; Yeo, Hong Goo; Hwang, Geon-Tae; Annapureddy, Venkateswarlu; Kim, Jong-Woo; Choi, Jong-Jin; Trolier-McKinstry, Susan; Ryu, Jungho

    2017-09-01

    In this study, a flexible magnetoelectric (ME) heterostructure of PZT/Ni was fabricated by depositing a (001) oriented Pb(Zr0.52Ti0.48)O3 (PZT) film on a thin, flexible Ni foil buffered with LaNiO3/HfO2. Excellent ferroelectric properties and large ME voltage coefficient of 3.2 V/cmṡOe were realized from the PZT/Ni heterostructure. The PZT/Ni composite's high performance was attributed to strong texturing of the PZT film, coupled with the compressive stress in the piezoelectric film. Besides, reduced substrate clamping in the PZT film due to the film on the foil structure and strong interfacial bonding in the PZT/LaNiO3/HfO2/Ni heterostructure could also have contributed to the high ME performance of PZT/Ni.

  5. Studies on third phase formation in the extraction of Zr(NO3)4 by solutions of tri-iso-amyl phosphate and tri-n-butyl phosphate in n-dodecane

    International Nuclear Information System (INIS)

    Benadict Rakesh, K.; Suresh, A.; Vasudeva Rao, P.R.

    2015-01-01

    The knowledge about Limiting Organic Concentration (LOC) and Critical aqueous concentration (CAC) as a function of equilibrium aqueous phase HNO 3 concentration and extractant concentration is essential to restrict the metal ion concentration in the feed and loading of metal ion in to the organic phase to avoid third phase formation. Due to the lesser third phase formation tendency of tri-iso-amyl phosphate (TiAP) compared to tri-n-butyl phosphate (TBP) in the extraction of tetravalent metal ions, TiAP can be used as an alternate extractant to TBP for Zr/Hf separation. In this regard, the LOC and CAC values in the extraction of Zr(IV) by 1.1 M solutions of TiAP and TBP in n-dodecane from Zr(NO 3 ) 4 solutions with various concentrations of HNO 3 have been measured as a function of (HNO 3 ) aq,eq at 303K. The LOC and the CAC values decrease with increase in (HNO 3 ) aq,eq in all the cases. An increase in TBP concentration from 1.1 M to 2.2 M in the organic phase increases the LOC and the CAC. It is also observed that loading of Zr(IV) in 2.2 M TiAP/n-dodecane is much higher than Zr(IV) loading in 2.2 M TBP/n-dodecane under identical conditions. For example, 0.521 mol/L Zr(IV) can be loaded in 2.2 M TiAP/n-dodecane without third phase formation at 303K (corresponding CAC is 0.736 mol/L at 7.12 M HNO 3 ). It can be concluded that the third phase formation tendency is higher for TBP/n-dodecane-Zr(NO 3 ) 4 /HNO 3 system as compared to TiAP/n-dodecane- Zr(NO 3 ) 4 /HNO 3 system under identical conditions. (author)

  6. Compensation of native donor doping in ScN: Carrier concentration control and p-type ScN

    Science.gov (United States)

    Saha, Bivas; Garbrecht, Magnus; Perez-Taborda, Jaime A.; Fawey, Mohammed H.; Koh, Yee Rui; Shakouri, Ali; Martin-Gonzalez, Marisol; Hultman, Lars; Sands, Timothy D.

    2017-06-01

    Scandium nitride (ScN) is an emerging indirect bandgap rocksalt semiconductor that has attracted significant attention in recent years for its potential applications in thermoelectric energy conversion devices, as a semiconducting component in epitaxial metal/semiconductor superlattices and as a substrate material for high quality GaN growth. Due to the presence of oxygen impurities and native defects such as nitrogen vacancies, sputter-deposited ScN thin-films are highly degenerate n-type semiconductors with carrier concentrations in the (1-6) × 1020 cm-3 range. In this letter, we show that magnesium nitride (MgxNy) acts as an efficient hole dopant in ScN and reduces the n-type carrier concentration, turning ScN into a p-type semiconductor at high doping levels. Employing a combination of high-resolution X-ray diffraction, transmission electron microscopy, and room temperature optical and temperature dependent electrical measurements, we demonstrate that p-type Sc1-xMgxN thin-film alloys (a) are substitutional solid solutions without MgxNy precipitation, phase segregation, or secondary phase formation within the studied compositional region, (b) exhibit a maximum hole-concentration of 2.2 × 1020 cm-3 and a hole mobility of 21 cm2/Vs, (c) do not show any defect states inside the direct gap of ScN, thus retaining their basic electronic structure, and (d) exhibit alloy scattering dominating hole conduction at high temperatures. These results demonstrate MgxNy doped p-type ScN and compare well with our previous reports on p-type ScN with manganese nitride (MnxNy) doping.

  7. Double γ decay in 90Zr

    International Nuclear Information System (INIS)

    Mucciolo, E.R.

    1988-01-01

    The double γ decay between θ + n - θ + i of 90 Zr was observed. The θ + n level was fed through the decay of 90 Sr. The experimental arrangement consisted of a double coincidence system between the two semiconductor detectors. (A.C.A.S.) [pt

  8. Phase transformations on Zr-Nb alloys

    International Nuclear Information System (INIS)

    Doi, Sergio Norifumi

    1980-01-01

    This research intended the laboratory scale experimental development of Zr-Nb alloys with adequate characteristics for use as fuel element cladding or for the making of irradiation capsules. Zr-Nb alloys with different Nb contents were melted and the resulting material was characterised. The following metallurgical aspects were considered: preparation of Zr-Nb alloys with various Nb contents; heat and thermomechanical treatments; microstructural characterization; mechanical properties; oxidation properties. The influence of the heat treatment and thermomechanical treatment, on the out-of-pile mechanical and oxidation properties of the Zr-Nb alloys were studied. It was found that the alloy microhardness increases with the Nb content and/or with the thermomechanical treatment. Mechanical properties such as yield and ultimate tensile strength as well as elongation were determined by means of compression tests. The results showed that the alloy yield stress increases with the Nb content and with the thermomechanical treatment, while its elongation decreases. Thermogravimetric analysis determined the alloy oxidation kinetics, in the 400 - 800 deg C interval, at 1 atm. oxygen pressure. The results showed that the alloy oxidation rate increases with the temperature and Nb content. It was also observed that the oxidation rate increases considerably for temperatures higher than 600 deg C.(author)

  9. Grain boundary sinks in neutron-irradiated Zr and Zr-alloys

    International Nuclear Information System (INIS)

    Griffiths, M.; Gilbert, R.W.; Coleman, C.E.

    1988-01-01

    Samples of annealed sponge and crystal-bar Zr and Zircaloy-2 have been examined following irradiation in EBR-II at temperatures ≅ 700 K. Loop analysis shows that there is selective denuding of interstitial loops near to some grain boundaries indicating that such boundaries are net sinks for interstitial point defects. Furthermore, in sponge Zr and Zircaloy-2, vacancy c-component loops are observed running into the grain boundaries showing that the grain boundaries are not preferred sinks for vacancies. Cavities are observed in all samples. In crystal-bar Zr and sponge Zr they are mostly observed adjacent to grain boundaries. They are also sometimes found within grains associated with precipitates. The cavities are more common in the crystal-bar Zr and this is probably because both the sponge Zr and Zircaloy-2 contain vacancy c-component loops which compete for vacancies (assuming that the cavities are vacancy sinks). Only some of the grain boundaries have cavities adjacent to them and this may be related to the orientation of the boundary. (orig.)

  10. The preparation of Zr-deuteride and phase stability studies of the Zr-D system

    Science.gov (United States)

    Maimaitiyili, T.; Steuwer, A.; Bjerkén, C.; Blomqvist, J.; Hoelzel, M.; Ion, J. C.; Zanellato, O.

    2017-03-01

    Deuteride phases in the zirconium-deuterium system in the temperature range 25-286 °C have been studied in-situ by high resolution neutron diffraction. The study primarily focused on observations of δ→γ transformation at 180 °C, and the peritectoid reaction α + δ ↔ γ at 255 °C in commercial grade Zr powder that was deuterated to a deuterium/Zr ratio of one to one. A detailed description of the zirconium deuteride preparation route by high temperature gas loading is also described. The lattice parameters of α-Zr, δ-ZrDx and ε-ZrDx were determined by whole pattern crystal structure analysis, using Rietveld and Pawley refinements, and are in good agreement with values reported in the literature. The controversial γ-hydride phase was observed both in-situ and ex-situ in deuterated Zr powder after a heat treatment at 286 °C and slow cooling.

  11. Zr-rich corner of the Zr-Sn-O diagram

    International Nuclear Information System (INIS)

    Roberti, L.A.; Arias, D.E.

    1993-01-01

    The understanding of the effect of light elements (in particular oxygen, nitrogen and hydrogen) on the behaviour of alloys for nuclear use is necessary because of its technological importance. The Zr-Sn-O system is perhaps the most representative of all possible ternary systems which can be used to simulate a simplified Zircaloy-type alloy in which the effect of O can be studied. However, in the specialized literature experimental data on phase equilibria and thermophysical properties of this system are not easily found. In the present work, the equilibrium compositions of the α and β phases of the Zr-Sn-O system at temperatures between 1150 and 1323 K are calculated, using the scarce available information. First results of the calculations show satisfactory coincidences with experimental data. Future work will be oriented towards the proposal of isothermal cross-sections calculated by a modelling of phases with wider Sn and O composition ranges, and involving equilibria with the phases Zr 4 Sn, Zr 5 Sn 3 , ZrO 2 , ZrSnO 4 . (Author)

  12. Influence of Temperature to Thermal Properties of U-Zr Alloy With The Zr Content Variation

    International Nuclear Information System (INIS)

    Aslina-Br-Ginting; Masrukan; M-Husna-Al-Hasa

    2007-01-01

    Have been done thermal of characteristic covering heat stability, heat capacities, enthalpy and also phase changes from uranium, zirkonium and U-Zr alloy with the Zr content variation of Zr 2 %, 6 %, 10% and 14% weight. Change of the temperature and composition anticipated will cause the characteristic of thermal to uranium metal, zirkonium and also U-Zr alloy. Therefore at this research was conducted using analysis influence of temperature to thermal of characteristic of uranium, zirkonium and U-Zr alloy with the Zr content variation by using DTA and DSC. Result of analysis indicate that the uranium metal at temperature 662 o C stable in phase α. Above at temperature, uranium metal experience of the phase change indicated by formed the thermochemical reaction as much 3 endothermic peak. At temperature 667.16 o C, happened by the phase change of α become the phase β with the enthalpy 2,3034 cal/g, at temperature 773.05 o C happened by the phase change β becoming phase γ 2,8725 cal/g and also at temperature 1125.26 the o C uranium metal experience the phenomenon become to melt with the enthalpy 2,1316 cal/g. (author)

  13. Chemical vapor deposited monolayer MoS2 top-gate MOSFET with atomic-layer-deposited ZrO2 as gate dielectric

    Science.gov (United States)

    Hu, Yaoqiao; Jiang, Huaxing; Lau, Kei May; Li, Qiang

    2018-04-01

    For the first time, ZrO2 dielectric deposition on pristine monolayer MoS2 by atomic layer deposition (ALD) is demonstrated and ZrO2/MoS2 top-gate MOSFETs have been fabricated. ALD ZrO2 overcoat, like other high-k oxides such as HfO2 and Al2O3, was shown to enhance the MoS2 channel mobility. As a result, an on/off current ratio of over 107, a subthreshold slope of 276 mV dec-1, and a field-effect electron mobility of 12.1 cm2 V-1 s-1 have been achieved. The maximum drain current of the MOSFET with a top-gate length of 4 μm and a source/drain spacing of 9 μm is measured to be 1.4 μA μm-1 at V DS = 5 V. The gate leakage current is below 10-2 A cm-2 under a gate bias of 10 V. A high dielectric breakdown field of 4.9 MV cm-1 is obtained. Gate hysteresis and frequency-dependent capacitance-voltage measurements were also performed to characterize the ZrO2/MoS2 interface quality, which yielded an interface state density of ˜3 × 1012 cm-2 eV-1.

  14. Thermodynamic description of the Ta-W-Zr system

    International Nuclear Information System (INIS)

    Guo, Cuiping; Li, Changrong; Du, Zhenmin; Shang, Shunli

    2014-01-01

    The Ta-W, W-Zr and Ta-W-Zr systems are critically reviewed and modeled using the CALPHAD technique. The enthalpy of formation of the stoichiometric compound W 2 Zr in the W-Zr system is predicted from first-principles calculations. The solution phases (liquid, bcc and hcp) are modeled by the substitutional solution model. The compound W 2 Zr is treated with the formula (Ta,W) 2 Zr in the Ta-W-Zr system because of a significant solid solubility of Ta in W 2 Zr. All experimental data, including the Gibbs energy of formation, enthalpy of formation, activity of Ta and W of bcc phase at 1 200 K, Ta-W and W-Zr phase diagrams, and three isothermal sections of the Ta-W-Zr system at 1 073, 1 098, and 1 873 K, are reproduced in the present work. A set of self-consistent thermodynamic parameters of the Ta-W-Zr system is obtained.

  15. Magnetic properties improvement of melt spun Co{sub 86.5}Hf{sub 11.5}B{sub 2} nanocomposites by refractory elements substitution

    Energy Technology Data Exchange (ETDEWEB)

    Chang, H.W. [Department of Applied Physics, Tunghai University, Taichung 407, Taiwan (China); Lin, Y.H.; Shih, C.W.; Liao, M.C.; Lee, Y.I. [Department of Physics, National Chung Cheng University, Chia-Yi 621, Taiwan (China); Chang, W.C., E-mail: phywcc@ccu.edu.tw [Department of Physics, National Chung Cheng University, Chia-Yi 621, Taiwan (China); Yang, C.C. [Department of Physics, Chung-Yuan Christian University, Chungli 320, Taiwan (China); Shaw, C.C. [Superrite Electronics Co. Ltd., Taipei 111, Taiwan (China)

    2016-03-01

    Magnetic properties of melt spun Co{sub 86.5}Hf{sub 10.5}MB{sub 2} ribbons with refractory elements substitution (M=Cr, Nb, Ti, Zr) have been studied. For ternary Co{sub 86.5}Hf{sub 11.5}B{sub 2} ribbon, permanent magnetic properties of B{sub r}=0.71 T, {sub i}H{sub c}=192 kA/m, and (BH){sub max}=34.4 kJ/m{sup 3} are obtained, and they are significantly improved to B{sub r}=0.73–0.76 T, {sub i}H{sub c}=136–216 kA/m and (BH){sub max}=38.4–52.8 kJ/m{sup 3} with M substitution. Summarized with the results of x-ray diffraction refinement, thermal magnetic analysis, and transmission electron microscopy, the Co{sub 86.5}Hf{sub 10.5}MB{sub 2} nanocomposites following the optimal crystallization treatment mainly consist of orthorhombic 7:1 and face-center-cubic Co phases. Fine microstructure with average grain size in the range of 12.5−19.6 nm promotes exchange coupling effect between magnetic grains, thus improving permanent magnetic properties. The magnetic field dependence of coercivity reveals that coercivity of the studied Co{sub 86.5}Hf{sub 10.5}MB{sub 2} nonocomposites is mainly governed by the reverse domain nucleation mechanism. - Highlights: • M substitution refines the grain size. • M substitution strengthens the exchange coupling effect between grains. • M substitution improves hard magnetic properties of Co{sub 86.5}Hf{sub 10.5}MB{sub 2} ribbons. • The coercivity is mainly governed by the reverse domain nucleation mechanism. • Co{sub 86.5}Hf{sub 10.5}MB{sub 2} ribbons are relevant candidate for RE free permanent magnets.

  16. On new ternary equiatomic scandium transition metal aluminum compounds ScTAl with T = Cr, Ru, Ag, Re, Pt, and Au

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Haverkamp, Sandra [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; University of Sao Paulo, Sao Carlos, SP (Brazil). Inst. of Physics

    2016-08-01

    The new equiatomic scandium transition metal aluminides ScTAl for T = Cr, Ru, Ag, Re, Pt, and Au were obtained by arc-melting of the elements followed by subsequent annealing for crystal growth. The samples were studied by powder and single crystal X-ray diffraction. The structures of three compounds were refined from single crystal X-ray diffractometer data: ScCrAl, MgZn{sub 2} type, P6{sub 3}/mmc, a = 525.77(3), c = 858.68(5) pm, R{sub 1} = 0.0188, wR{sub 2} = 0.0485, 204 F{sup 2} values, 13 variables, ScPtAl, TiNiSi type, Pnma, a = 642.83(4), b = 428.96(2), c = 754.54(5) pm, R{sub 1} = 0.0326, wR{sub 2} = 0.0458, 448 F{sup 2} values, 20 variables and ScAuAl, HfRhSn type, P anti 62c, a = 722.88(4), c = 724.15(4) pm, R{sub 1} = 0.0316, wR{sub 2} = 0.0653, 512 F{sup 2} values, 18 variables. Phase pure samples of all compounds were furthermore investigated by magnetic susceptibility measurements, and Pauli-paramagnetism but no superconductivity was observed down to 2.1 K for all of them. The local structural features and disordering phenomena have been characterized by {sup 27}Al and {sup 45}Sc magic angle spinning (MAS) and static NMR spectroscopic investigations.

  17. Nanosized Hydroxyapatite Precipitation on the Ti—30Ta—xHf Alloys.

    Science.gov (United States)

    Lee, Kang; Jang, Jae- In; Han-Cheol, Choe

    2017-04-01

    In this study, we prepared hydroxyapatite (HAp) layer on the alkali treated Ti–30Ta–xHf alloys using electrochemical deposition method. Ti–30Ta–xHf alloys was anodized in 5 M NaOH solution at 0.3 A for 10 min. Alkali treated Ti–30Ta–xHf surface formed by anodization step which acted as templates and anchorage for growth of the HAp during subsequent pulsed electrochemical deposition process at 85 °C. The phase and morphologies of deposited HAp layer were affected by the Hf contents of Ti–30Ta–xHf alloys. The nano-scale rod-like HAp layer was formed on untreated Ti–30Ta–xHf alloys with partially low crystallinity. In the case of alkali treated Ti–30Ta–xHf, nano-sized needle-like layers were transferred to nano-flake surface and denser morphology as Hf content increased.

  18. HF Radar observations of the Dardanelles outflow current in North Eastern Aegean using validated WERA HF radar data

    Directory of Open Access Journals (Sweden)

    Z. KOKKINI

    2014-12-01

    Full Text Available A two-site WERA HF radar station was installed in November 2009 at the eastern coast of Lemnos Island in North Aegean Sea, aiming to monitor the surface inflow of Black Sea waters exiting from the Dardanelles Strait, as well as to constitute a coastal management tool for incidents of oil-pollution or save-and-rescue operations. Strong interference by foreign transmissions is a source of noise deteriorating the quality of the backscattered signal, thus significantly reducing the HF radar’s effective data return rate. In order to ameliorate this problem, further quality-control and data gap interpolating procedures have been developed and applied, to be used in addition to the procedures incorporated and used by the manufacturer’s signal processing software. The second-level processing involves traditional despiking in the temporal domain, preceding Empirical Orthogonal Function analysis. The latter is used not only to filter high-frequency noise but also to fill data gaps in time and space. The data reconstruction procedure has been assessed via comparison of (a HF radial with CODE-type drifter radial velocities as well as (b HF-derived virtual drifter tracks with actual drifter tracks. The main circulation features and their variability, as revealed by the reconstructed fields, are presented.

  19. Study on technology for laboratory scale production of Zirconium Chloride (ZrCl4) by chlorinating Zirconium dioxide (ZrO2)

    International Nuclear Information System (INIS)

    Nguyen Van Sinh

    2007-01-01

    ZrCl 4 is used as a main material for producing metallic zirconium. There are four methods for obtaining ZrCl 4 . The method of chlorination of ZrO 2 was selected and some instruments have been made for the study (to produce ZrCl 4 in laboratory scale). A procedure of preparing ZrCl 4 on the obtained instruments was set up and a small amount of ZrCl 4 was successfully obtained. (author)

  20. Atomic-scale microstructures of Zr2Al3C4 and Zr3Al3C5 ceramics

    International Nuclear Information System (INIS)

    Lin, Z.J.; Zhuo, M.J.; He, L.F.; Zhou, Y.C.; Li, M.S.; Wang, J.Y.

    2006-01-01

    The microstructures of bulk Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 ceramics have been investigated using transmission electron microscopy and scanning transmission electron microscopy. These two carbides were determined to have a point group 6/mmm and a space group P6 3 /mmc using selected-area electron diffraction and convergent beam electron diffraction. The atomic-scale microstructures of Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 were investigated through high-resolution imaging and Z-contrast imaging. Furthermore, intergrowth between Zr 2 Al 3 C 4 and Zr 3 Al 3 C 5 was identified. Stacking faults in Zr 3 Al 3 C 5 were found to result from the insertion of an additional Zr-C layer. Cubic ZrC was occasionally identified to be incorporated in elongated Zr 3 Al 3 C 5 grains. In addition, Al may induce a twinned ZrC structure and lead to the formation of ternary zirconium aluminum carbides