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Sample records for zr hf ta

  1. 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

  2. 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.

  3. 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.

  4. 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)

  5. 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

  6. 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)

  7. 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.

  8. 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)

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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)

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.)

  19. 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.)

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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)

  6. Computer simulation of hydrogen diffusion and hydride precipitation at Ta/Zr bond interface. Hydrogen embrittlement in SUS304ULC/Ta/Zr explosive bonded joint

    International Nuclear Information System (INIS)

    Saida, Kazuyoshi; Fujimoto, Tetsuya; Nishimoto, Kazutoshi

    2010-01-01

    The concentration of hydrogen and precipitation of zirconium hydrides in Ta/Zr explosive bonded joint were analysed by computer simulation. Numerical model of hydride precipitation under hydrogen diffusion was simplified by the alternate model coupled the macroscopic hydrogen diffusion with the microscopic hydride precipitation. Effects of the initial hydrogen content in Ta, working degree of Zr and post-bond heat treatment on the hydrogen diffusion and hydride precipitation were investigated. Hydrogen was rapidly diffused from Ta substrate into Zr after explosive bonding and temporarily concentrated at Ta/Zr bond interface. Zirconium hydrides were precipitated and grew at Ta/Zr bond interface, and the precipitation zone of hydrides was enlarged with the lapse of time. The precipitation of zirconium hydrides was promoted when the initial hydrogen content in Ta and working degree of Zr were increased. The concentration of hydrogen and precipitation of hydrides at the bond interface were reduced and diminished by post-bond heat treatment at 373 K. It was deduced that hydrogen embrittlement in Ta/Zr explosive bonded joint was caused by the precipitation of zirconium hydrides and concentration of hydrogen at Ta/Zr bond interface during the diffusion of hydrogen containing in Ta substrate. (author)

  7. Proposal of guideline for bonding to prevention of hydrogen embrittlement at Ta/Zr bond interface. Hydrogen embrittlement in SUS304ULC/Ta/Zr explosive bonded joint

    International Nuclear Information System (INIS)

    Saida, Kazuyoshi; Fujimoto, Tetsuya; Nishimoto, Kazutoshi

    2010-01-01

    The occurrence condition of hydrogen embrittlement cracking at Ta/Zr bond interface was investigated with respect to the hydrogen content and applied stress in order to propose a guideline for the explosive bonding procedure to prevention of hydrogen embrittlement. Hydrogen charging test was conducted for SUS304ULC/Ta/Zr explosive bonded joints applied the different flexural strains. A hydrogen embrittlement crack occurred in the Zr substrate at Ta/Zr bond interface after hydrogen charging, and it was initiated at shorter charging times when the augmented strain was increased. The occurrence condition of hydrogen embrittlement cracking at Ta/Zr bond interface was shifted to lower stress and hydrogen content with an increase in the amount of explosive during bonding. It was suggested that hydrogen embrittlement in Ta/Zr explosive bonded joint could be inhibited by reducing the initial hydrogen content in Ta substrate less than approx. 5 ppm. (author)

  8. 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

  9. 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

  10. 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.

  11. 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.

  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. Bixbyite-type phases in the system Ta-Zr-O-N

    Energy Technology Data Exchange (ETDEWEB)

    Luedtke, Tobias; Orthmann, Steven; Lerch, Martin [Technische Univ. Berlin (Germany). Inst. fuer Chemie

    2017-06-01

    Phase-pure tantalum/zirconium oxide nitrides and nitrides were synthesized by the ammonolysis of amorphous oxide precursors. The nitrogen-rich oxide nitrides with variable anion composition and the nitride TaZrN3 crystallize in the cubic bixbyite-type structure (space group Ia3). The nitrogen content of these compounds has a significant influence on the cell parameters, the atomic positions, and the optical band gap. The results extend the already well-studied Ta-Zr-O-N system by new oxide nitrides in addition to the already known baddeleyite- and anosovite-type phases. TaZrN{sub 3} can be considered as a thermodynamically stable ternary variant of metastable Ta{sub 2}N{sub 3}.

  14. Method of treating Ti--Nb--Zr--Ta superconducting alloys

    International Nuclear Information System (INIS)

    Horiuchi, T.; Monju, Y.; Tatara, I.; Nagai, N.; Hisata, M.; Matsumoto, K.

    1975-01-01

    A superconducting alloy is formulated from 10 to 50 at. percent Ti, 20 to 50 at. percent Nb, 10 to 40 at. percent Zr, and 5 to 12 at. percent Ta. A Ti--Nb--Zr--Ta superconducting alloy with a fine, non-homogeneous structure is obtained by forming a β solid solution of Ti--Nb--Zr--Ta alloy by heating to a temperature within the β solid solution range, cooling, and then cold working the heated alloy. The cold worked alloy is heated to a temperature within the (β' + β'') alloy to maintain the peritectoid structure, cold worked, then heated to a temperature within the eutectoid range to form a multiphase alloy structure and then cooled and finally cold worked. (U.S.)

  15. Co-sputtered amorphous Nb–Ta, Nb–Zr and Ta–Zr coatings for corrosion protection of cyclotron targets for [{sup 18}F] production

    Energy Technology Data Exchange (ETDEWEB)

    Skliarova, Hanna, E-mail: Hanna.Skliarova@lnl.infn.it [National Institute of Nuclear Physics, Legnaro National Laboratories, Viale dell’Università, 2, 35020 Legnaro, Padua (Italy); University of Ferrara, Ferrara (Italy); Azzolini, Oscar, E-mail: Oscar.Azzolini@lnl.infn.it [National Institute of Nuclear Physics, Legnaro National Laboratories, Viale dell’Università, 2, 35020 Legnaro, Padua (Italy); Johnson, Richard R., E-mail: richard.johnson@teambest.com [BEST Cyclotron Systems Inc., 8765 Ash Street Unit 7, Vancouver, BC V6P 6T3 (Canada); Palmieri, Vincenzo, E-mail: Vincenzo.Palmieri@lnl.infn.it [National Institute of Nuclear Physics, Legnaro National Laboratories, Viale dell’Università, 2, 35020 Legnaro, Padua (Italy); University of Padua, Padua (Italy)

    2015-08-05

    Highlights: • Nb–Ta, Nb–Zr and Ta–Zr alloy films were deposited by co-sputtering. • Co-sputtered Nb–Zr and Nb–Ta alloy coatings had crystalline microstructures. • Diffusion barrier efficiency of Nb–Zr and Nb–Ta decreased with the increase of Nb %. • Co-sputtered Ta–Zr films with 30–73 at.% Ta were amorphous. • Sputtered amorphous Ta–Zr films showed superior diffusion barrier efficiency. - Abstract: Protective corrosion resistant coatings serve for decreasing the amount of ionic contaminants from Havar® entrance foils of the targets for [{sup 18}F] production. The corrosion damage of coated entrance foils is caused mainly by the diffusion of highly reactive products of water radiolysis through the protective film toward Havar® substrate. Since amorphous metal alloys (metallic glasses) are well-known to perform a high corrosion resistance, the glass forming ability, microstructure and diffusion barrier efficiency of binary alloys containing chemically inert Nb, Ta, Zr were investigated. Nb–Ta, Nb–Zr and Ta–Zr films of different alloy composition and ∼1.5 μm thickness were co-deposited by magnetron sputtering. Diffusion barrier efficiency tests used reactive aluminum underlayer and protons of acid solution and gallium atoms at elevated temperature as diffusing particles. Though co-sputtered Nb–Ta and Nb–Zr alloy films of different contents were crystalline, Ta–Zr alloy was found to form dense amorphous microstructures in a range of composition with 30–73% atomic Ta. The diffusion barrier efficiency of Nb–Zr and Nb–Ta alloy coatings decreased with increase of Nb content. The diffusion barrier efficiency of sputtered Ta–Zr alloy coatings increased with the transition from nanocrystalline columnar microstructure to amorphous for coatings with 30–73 at.% Ta.

  16. Extraordinary high strength Ti-Zr-Ta alloys through nanoscaled, dual-cubic spinodal reinforcement.

    Science.gov (United States)

    Biesiekierski, Arne; Ping, Dehai; Li, Yuncang; Lin, Jixing; Munir, Khurram S; Yamabe-Mitarai, Yoko; Wen, Cuie

    2017-04-15

    While titanium alloys represent the current state-of-the-art for orthopedic biomaterials, concerns still remain over their modulus. Circumventing this via increased porosity requires high elastic admissible strains, yet also limits traditional thermomechanical strengthening techniques. To this end, a novel β-type Ti-Zr-Ta alloy system, comprised of Ti-45Zr-10Ta, Ti-40Zr-14Ta, Ti-35Zr-18Ta and Ti-30Zr-22Ta, was designed and characterized mechanically and microstructurally. As-cast, this system displayed extremely high yield strengths and elastic admissible strains, up to 1.4GPa and potentially 1.48%, respectively. This strength was attributed to a nanoscaled, cuboidal structure of semi-coherent, dual body-centered cubic (BCC) phases, arising from the thermodynamics of interaction between Ta and Zr; this morphology occurring with dual BCC-phases is heretofore unreported in Ti-based alloys. Further, cell proliferation investigated by MTS assay suggests this was achieved without sacrificing biocompatibility, with no significant difference to either empty-well or commercially-pure Ti controls noted. The current research details microstructural, mechanical, and biological investigations into four novel biomedical alloys in a hitherto uninvestigated region of the Ti-Zr-Ta alloy system; Ti-45Zr-10Ta, Ti-40Zr-14Ta, Ti-35Zr-18Ta and Ti-30Zr-22Ta. We find that the investigated alloys display 0.2% yield strengths of up to 1.40GPa and elastic admissible strains of up to 1.48%, along with biological properties comparable to that seen in the conventional metallic biomaterial ASTM Grade-2 CP-Ti, achieved in the complete absence of traditional thermomechanical processing techniques. This is attributed to the presence of a dual-BCC cuboidal nanostructure, achieved via spinodal decomposition; while similar structures have been reported in e.g. Ni-based superalloys, we believe this is the first such structure investigated in a Ti-based material. As such, this work is felt to be of

  17. 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

  18. 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

  19. Atomic layer deposition and properties of mixed Ta2O5 and ZrO2 films

    Directory of Open Access Journals (Sweden)

    Kaupo Kukli

    2017-02-01

    Full Text Available Thin solid films consisting of ZrO2 and Ta2O5 were grown by atomic layer deposition at 300 °C. Ta2O5 films doped with ZrO2, TaZr2.75O8 ternary phase, or ZrO2 doped with Ta2O5 were grown to thickness and composition depending on the number and ratio of alternating ZrO2 and Ta2O5 deposition cycles. All the films grown exhibited resistive switching characteristics between TiN and Pt electrodes, expressed by repetitive current-voltage loops. The most reliable windows between high and low resistive states were observed in Ta2O5 films mixed with relatively low amounts of ZrO2, providing Zr to Ta cation ratio of 0.2.

  20. Microstructural and mechanical characterization of biomedical Ti-Nb-Zr(-Ta) alloys

    International Nuclear Information System (INIS)

    Elias, L.M.; Schneider, S.G.; Schneider, S.; Silva, H.M.; Malvisi, F.

    2006-01-01

    In recent years there has been a significant development of novel implant alloys based on β-Ti such as Ti-Nb-Zr and Ti-Nb-Zr-Ta alloys systems. The purpose of this work is to provide characterization of Ti-35.3Nb-5.1Ta-7.1Zr and Ti-41.1Nb-7.1Zr alloys, in which Nb will substitute the atomic amount of Ta, with emphasis in the property-microstructure-composition relationships. These alloys are produced from commercially pure materials (Ti, Nb, Zr and Ta) by an arc melting method. All ingots were submitted to sequences of heat treatment (1000 deg. C/2 h - WQ), cold working by swaging procedures and other heat treatment (1000 deg. C/2 h - WQ). Specimens, in as cast and heat-treated condition, were examined by light and scanning electron microscopy (SEM). These results suggested the presence of β- and ω-phases. Mechanical properties were based on tensile and hardness tests. These alloys exhibit a lower modulus than that of conventional Ti alloys and the other mechanical properties are suitable for biomedical applications

  1. 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.

  2. 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)

  3. The magnetic hyperfine field in the 181Ta site in the Co2HfAl and Co2HfGa Heusler alloys

    International Nuclear Information System (INIS)

    Silva, R. da.

    1979-01-01

    The hyperfine magnetic fields at 181 Ta nuclei in Heusler alloys Co 2 HfZ (Z=Al, Ga) have been measured using the time differential perturbed gamma-gamma angular correlation (TDPAC) method. The hyperfine fields obtained from these measurements at the liquid nitrogen temperature are -189 and +- 150 kOersted for Co 2 HfAl and Co 2 HfGa, respectively. The concept that the hyperfine field at the Y site is similar to the solute fields in Fe, Co, Ni and Gd matrices is corroborated. We have verified that ratios H sub(hf) sub(Ta)/T sub(c) and H sub(hf) sub(Ta)μ sub(Co) in Co 2 HfZ compounds (Z=Al, Ga, Sn) do not depend on the nature of Z element. However a dependence in the value of observed field with the s-p element in Z site was noticed. We feel that the samples are not completely ordered cubic as observed by the quadrupole interaction measurements. The results are interpreted in terms of the Campbell-Blandin formalism, and it is shown that the spin polarization of conduction electrons at Hf and Ta have opposite signs. (Author) [pt

  4. 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

  5. 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)

  6. 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)

  7. Electric field gradients at 181Ta sites in HfOx

    International Nuclear Information System (INIS)

    Darriba, G.N.; Rodriguez, A.M.; Saitovitch, H.; Silva, P.R.J.; Pasquevich, A.F.

    2007-01-01

    In the present work we report preliminary results about the possibility to study properties of the order-disorder transition in HfO x solid solutions via the determination of the electric field gradient (EFG) at 181 Ta radioactive probes. Oxygen solution into the metal was achieved by arc melting stoichiometric amounts of metallic Hf and HfO 2 under argon atmosphere. Samples of HfO x with x=0.1 and 0.2 were prepared. Two types of samples were used for the perturbed angular correlation (PAC) experiments by doping alternatively with 181 Ta, by neutron irradiation, the metallic Hf or the hafnium oxide. The PAC results on both samples were identical, with disappearing hyperfine signals of the metal and the oxide, showing a complete diffusion of the probes independent of the way of doping. The PAC signal of the HfO x solid solution consisted in a wide distribution of EFGs due to the oxygen disorder. This scheme held even after long thermal treatments at high temperature (several days at 1273K). Annealing treatments at moderate temperature (600K) were also made. In these cases the samples were cooling at a very low rate. These results, together with those obtained by measuring samples below and above the order temperature are reported

  8. 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).

  9. Extraction behavior of Nb and Ta in HF solutions with tributyl phosphate

    International Nuclear Information System (INIS)

    Murakami, M.; Tsuto, S.; Ooe, K.; Goto, S.; Kudo, H.; Haba, H.; Kanaya, J.

    2013-01-01

    Extraction behavior of carrier-free Nb and Ta with tributyl phosphate (TBP) from HF solutions was studied by a batch method. Tantalum is extracted well to an organic phase, while Nb is left in an aqueous phase at 0.053-1.0 M HF concentrations. The similar extraction trends of Nb and Ta are shown in the solid phase extraction using a TBP resin. The extraction equilibria in the solid phase extraction are attained within ∼10 s. (author)

  10. Ab-initio study of the hyperfine parameters in P2{sub 1}/c, P42nmc and Fm3m zirconia phases doped with Ta{sub zr} and the vacancy-Ta{sub zr} complex

    Energy Technology Data Exchange (ETDEWEB)

    Casali, R.A. [Facultad de Ciencias Exactas, y Nat. y Agr.-UNNE-Avenue Libertad 5600, Corrientes (Argentina)]. E-mail: rac@exa.unne.edu.ar; Caravaca, M.A. [Facultad de Ingenieria-UNNE, Avenue Las Heras 727, Resistencia (Argentina)

    2007-02-01

    In this work we develop selfconsistent calculations by means of the all-electron method NFP-LMTO. The electronic structure, quadrupolar frequencies and asymmetry parameters of ZrO{sub 2} polymorphs doped with Ta placed at substitutional site to Zr (Ta{sub Zr}), with and without vacancies are studied in the monoclinic, tetragonal and cubic phases. The calculated hyperfine parameters in neutral Ta{sub Zr} in the monoclinic phase are in agreement with hypine parameters measured with PAC and assigned to substitutional site in a wide range of temperatures. However, in the case of Ta{sub Zr} in the tetragonal P42nmc phase, the electric field gradient (EFG) is in large disagreement with the experimental assignment. Therefore we explored the incorporation of a near neighbor oxygen vacancy in several charged states. We found that the TaV{sup 0} and TaV{sup +1} pairs in the tetragonal symmetry with axis length ratio c/a=1.02 gives electric field gradients V{sub zz} and {eta} in agreement with low-temperature values of the experimentally assigned pure tetragonal, called t-form. Further, the pair Ta-V with a ratio c/a=1 gives EFG in close agreement with reported high-temperature values.

  11. 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.

  12. The hyperfine fields at 181Ta in HfFe2

    International Nuclear Information System (INIS)

    Cekic, B.; Ivanovic, N.; Manasijevic, M.; Koicki, S.; Koteski, V.; Cavor, J.; Radisavljevic, I.; Milosevic, Z.; Novakovic, N.

    2001-01-01

    The hyperfine fields (HFF) in the polycrystalline HfFe 2 binary compound consisting the two various phases MgCu 2 and MgZn 2 , were measured at 181 Ta probe ion sites by gamma-gamma time differential perturbed angular correlations (TDPAC) technique in a wide temperature range. The origin of the hyperfine magnetic field is discussed taking in account the coordination of the 181 Ta probe ion, its core polarization and the polarization of conduction electrons around the 181 Ta site in both phases. (author)

  13. 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.

  14. 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.

  15. 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.

  16. Enhancement of Endurance in HfO2-Based CBRAM Device by Introduction of a TaN Diffusion Blocking Layer

    KAUST Repository

    Chand, Umesh

    2017-08-05

    We propose a new method to improve resistive switching properties in HfO2 based CBRAM crossbar structure device by introducing a TaN thin diffusion blocking layer between the Cu top electrode and HfO2 switching layer. The Cu/TaN/HfO2/TiN device structure exhibits high resistance ratio of OFF/ON states without any degradation in switching during endurance test. The improvement in the endurance properties of the Cu/TaN/HfO2/TiN CBRAM device is thus attributed to the relatively low amount of Cu migration into HfO2 switching layer.

  17. 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

  18. 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.

  19. 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)

  20. 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.

  1. Influence of cold deformation on martensite transformation and mechanical properties of Ti-Nb-Ta-Zr alloy

    International Nuclear Information System (INIS)

    Wang Liqiang; Lu Weijie; Qin Jining; Zhang Fan; Zhang Di

    2009-01-01

    Ti-35Nb-2Ta-3Zr alloy was fabricated by vacuum consumable arc melting furnace and hot pressing. Microstructure and phase transformation of solution-treated (ST) and cold-rolled (CR) plates of Ti-Nb-Ta-Zr alloy were observed. Different microstructure of strain-induced martensite transformation during cold deformation were investigated. With the increase of reduction of cold rolling, microstructure of α''-phase changed from acicular martensite to butterfly shaped martensite and showed variant crossed and cross-hatched when the reduction of cold rolling was over 60%. Mechanical properties and SEM images of the fracture surface indicated that the alloy fabricated by cold deformation showed favorable strength and plasticity. Owing to the excellent cold workability and biomedical safety of elements of Nb, Ta and Zr, Ti-Nb-Ta-Zr alloy contributed much to medical applications

  2. Effect of nitrogen addition and annealing temperature on superelastic properties of Ti-Nb-Zr-Ta alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tahara, Masaki [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Kim, Hee Young, E-mail: heeykim@ims.tsukuba.ac.jp [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Hosoda, Hideki [Precision and Intelligence Laboratory, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Nam, Tae-hyun [School of Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processingnd ERI, Gyeongsang National University, 900 Gazwadong, Jinju, Gyeongnam 660-701 (Korea, Republic of); Miyazaki, Shuichi, E-mail: miyazaki@ims.tsukuba.ac.jp [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); School of Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processingnd ERI, Gyeongsang National University, 900 Gazwadong, Jinju, Gyeongnam 660-701 (Korea, Republic of)

    2010-10-15

    Research highlights: In this study, the effects of composition and annealing temperature on microstructure, shape memory effect and superelastic properties were investigated in Ti-Nb-4Zr-2Ta-N alloys by measuring stress-strain curves at various temperatures and using transmission electron microscopy. Dissolution of {alpha} phase increases M{sub s} and decreases the critical stress for slip for the Ti-22Nb-4Zr-2Ta alloy while it causes the decrease of M{sub s} and the increase of the critical stress for slip for the Ti-20Nb-4Zr-2Ta-0.6N alloy. The different effect of dissolution of {alpha} phase can be attributed to the fact that N is absorbed in {alpha} phase. - Abstract: The composition dependence of the mechanical properties and martensitic transformation behavior of Ti-Nb-4Zr-2Ta-N alloys is investigated. The effect of annealing temperature on the microstructural evolution and superelastic properties in the N-added and N-free alloys is compared. The addition of N decreases M{sub s} of Ti-Nb-4Zr-2Ta alloys by about 200 K per 1 at.%N and improves the superelastic properties of Ti-Nb-4Zr-2Ta alloys. The dissolution of {alpha} phase increases the martensitic transformation start temperature and decreases the superelastic recovery strain for the N-free alloy, whereas it causes opposite effects for the N-added alloy. The different annealing temperature dependences of superelastic properties are discussed on the basis of microstructure observation.

  3. Effect of nitrogen addition and annealing temperature on superelastic properties of Ti-Nb-Zr-Ta alloys

    International Nuclear Information System (INIS)

    Tahara, Masaki; Kim, Hee Young; Hosoda, Hideki; Nam, Tae-hyun; Miyazaki, Shuichi

    2010-01-01

    Research highlights: In this study, the effects of composition and annealing temperature on microstructure, shape memory effect and superelastic properties were investigated in Ti-Nb-4Zr-2Ta-N alloys by measuring stress-strain curves at various temperatures and using transmission electron microscopy. Dissolution of α phase increases M s and decreases the critical stress for slip for the Ti-22Nb-4Zr-2Ta alloy while it causes the decrease of M s and the increase of the critical stress for slip for the Ti-20Nb-4Zr-2Ta-0.6N alloy. The different effect of dissolution of α phase can be attributed to the fact that N is absorbed in α phase. - Abstract: The composition dependence of the mechanical properties and martensitic transformation behavior of Ti-Nb-4Zr-2Ta-N alloys is investigated. The effect of annealing temperature on the microstructural evolution and superelastic properties in the N-added and N-free alloys is compared. The addition of N decreases M s of Ti-Nb-4Zr-2Ta alloys by about 200 K per 1 at.%N and improves the superelastic properties of Ti-Nb-4Zr-2Ta alloys. The dissolution of α phase increases the martensitic transformation start temperature and decreases the superelastic recovery strain for the N-free alloy, whereas it causes opposite effects for the N-added alloy. The different annealing temperature dependences of superelastic properties are discussed on the basis of microstructure observation.

  4. Contribution have the survey of the transformation {sup 181}Hf {yields} {sup 181}Ta (17 {mu}s) {yields} {sup 181}Ta; Contribution a l'etude de la transformation {sup 181}Hf {yields} {sup 181}Ta (17 {mu}s) {yields} {sup 181}Ta

    Energy Technology Data Exchange (ETDEWEB)

    Baullini, R; Chaminade, R; Desneiges, P; Grjebine, T; Quidort, J; Wahl, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1953-07-01

    The metastable state of Ta, whose period is around 20 microseconds, has been discovered by De BENEDETTI and Mc GOWAM who done measurements of deferred coincidences between the particles beta and the electrons of conversion given out by the hafnium radiated by thermal neutrons. We measured the period of {sup 181}Ta{sup *} by measures of deferred coincidences {beta}-e{sup -} and {beta}-{gamma}. A method of survey of the specter of photons amplitudes emitted by {sup 181}Ta{sup *} has been fit. This method permitted to solve the presence of {gamma} in the radiation emitted in synchronism with the deexcitation of {sup 181}Ta{sup *}. Finally in a last chapter, we propose a method of dosage of the {sup 181}Hf in presence of other radioelements. (M.B.) [French] L'etat metastable de Ta, dont la periode est voisine de 20 microsecondes, a ete decouvert par DE BENEDETTI et Mc GOWAM qui effectuaient des mesures de coincidences differees entre les particules beta et les electrons de conversion emis par du hafnium irradie par des neutrons thermiques. Nous avons mesure la periode de {sup 181}Ta{sup *} par des mesures de coincidences differees {beta}-e{sup -} et {beta}-{gamma}. Une methode d'etude du spectre d'amplitudes des photons emis par {sup 181}Ta{sup *} a ete mise au point. Cette methode a permis d'eclaircir la presence de {gamma} dans le rayonnement emis en synchronisme avec la desexcitation de {sup 181}Ta{sup *}. Enfin dans un dernier chapitre, on proposera une methode de dosage du {sup 181}Hf en presence d'autres radioelements. (M.B.)

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Effect of Zr substitution on the thermal and mechanical properties of Rh3A (A=Nb,Ta) - A theoretical study

    Science.gov (United States)

    Manjula, M.; Sundareswari, M.; Viswanathan, E.

    2018-04-01

    The present study focuses upon the thermal and mechanical properties of Rh3ZrxA1-x (A= Nb,Ta) ternary alloys using ab initio density functional theory where Nb/Ta is substituted by Zr. These ternary alloys were investigated for the first time using elastic moduli, hardness, Debye temperature, Debye average velocity and Gruneisen parameter. Further the ductile/brittle analysis was made by using Cauchy pressure, degree of brittleness and Poisson's ratio. Systematic addition of Zr with Rh3Nb/Ta shows that Rh3Zr0.75Nb0.25, Rh3Zr0.875Nb0.125 and Rh3Zr0.875Ta0.125combinations are more ductile. Further the melting temperature of Rh3Zr0.75Nb0.25(2227 K), Rh3Zr0.875Nb0.125(2200 K) and Rh3Zr0.875Ta0.125 (2134 K) alloys are nearer to those of their parent binary alloys namely Rh3Nb (2636 K) and Rh3Ta (2562 K). Their corresponding density values (10.84 gm/cm3, 10.77 gm/cm3 and 11.09 gm/cm3) are found to be much less than those of their parent materials.

  10. 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)

  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. 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.

  13. X-ray photoelectron spectroscopy as detection tool for coordinated or uncoordinated fluorine atoms demonstrated on fluoride systems NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7

    Science.gov (United States)

    Boča, Miroslav; Barborík, Peter; Mičušík, Matej; Omastová, Mária

    2012-07-01

    While systems K3TaF8 and K3ZrF7 were prepared by modified molten salt method modified wet pathway was used for reproducible preparation of Na7Zr6F31. Its congruently melting character was demonstrated on simultaneous TG/DSC measurements and XRD patterns. X-ray photoelectron spectroscopy was applied for identification of differently bonded fluorine atoms in series of compounds NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7. Three different types of fluorine atoms were described qualitatively and quantitatively. Uncoordinated fluorine atoms (F-) provide signals at lowest binding energies, followed by signals from terminally coordinated fluorine atoms (M-F) and then bridging fluorine atoms (M-F-M) at highest energy. Based on XPS F 1s signals assigned to fluorine atoms in compounds with correctly determined structure it was suggested that fluorine atoms in K3ZrF7 have partially bridging character.

  14. Promising Ta-Ti-Zr-Si metallic glass coating without cytotoxic elements for bio-implant applications

    Science.gov (United States)

    Lai, J. J.; Lin, Y. S.; Chang, C. H.; Wei, T. Y.; Huang, J. C.; Liao, Z. X.; Lin, C. H.; Chen, C. H.

    2018-01-01

    Tantalum (Ta) is considered as one of the most promising metal due to its high corrosion resistance, excellent biocompatibility and cell adhesion/in-growth capabilities. Although there are some researches exploring the biomedical aspects of Ta and Ta based alloys, systematic characterizations of newly developed Ta-based metallic glasses in bio-implant applications is still lacking. This study employs sputtering approach to produced thin-film Ti-based metallic glasses due to the high melting temperature of Ta (3020 °C). Two fully amorphous Ta-based metallic glasses composed of Ta57Ti17Zr15Si11 and Ta75Ti10Zr8Si7 are produced and experimentally characterized in terms of their mechanical properties, bio-corrosion properties, surface hydrophilic characteristics, and in-vitro cell viability and cells attachment tests. Compare to conventional pure Ti and Ta metals, the developed Ta-based metallic glasses exhibit higher hardness and lower modulus which are better match to the mechanical properties of bone. MTS assay results show that Ta-based metallic glasses show comparable cell viability and cell attachment rate compared to that of pure Ti and Ta surface in a 72 h in-vitro test.

  15. Effects of TiN coating on the corrosion of nanostructured Ti-30Ta-xZr alloys for dental implants

    Science.gov (United States)

    Kim, Won-Gi; Choe, Han-Cheol

    2012-01-01

    Electrochemical characteristics of a titanium nitride (TiN)-coated/nanotube-formed Ti-Ta-Zr alloy for biomaterials have been researched by using the magnetic sputter and electrochemical methods. Ti-30Ta-xZr (x = 3, 7 and 15 wt%) alloys were prepared by arc melting and heat treated for 24 h at 1000 °C in an argon atmosphere and then water quenching. The formation of oxide nanotubes was achieved by anodizing a Ti-30Ta-xZr alloy in H3PO4 electrolytes containing small amounts of fluoride ions at room temperature. Anodization was carried out using a scanning potentiostat, and all experiments were conducted at room temperature. The microstructure and morphology of nanotube arrays were characterized by optical microscopy (OM), field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD). The TiN coatings were obtained by the radio-frequency (RF) magnetron sputtering technique. The depositions were performed from pure Ti targets on Ti-30Ta-xZr alloys substrates. The corrosion properties of the specimens were examined using potentiodynamic test in a 0.9% NaCl solution by using potentiostat. The microstructures of Ti-30Ta-xZr alloys were changed from an equiaxed to a needle-like structure with increasing Zr content. The interspace between the nanotubes was approximately 20, 80 and 200 nm for Zr contents of 3, 7 and 15 wt%, respectively. The corrosion resistance of the TiN-coated on the anodized Ti-30Ta-xZr alloys was higher than that of the untreated Ti alloys, indicating a better protective effect.

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

    Science.gov (United States)

    Wang, Shao-Ping; Xu, Jian

    2017-04-01

    Combining the high-entropy alloy (HEA) concept with property requirement for orthopedic implants, we designed a Ti 20 Zr 20 Nb 20 Ta 20 Mo 20 equiatomic HEA. The arc-melted microstructures, compressive properties and potentiodynamic polarization behavior in phosphate buffer solution (PBS) were studied in detail. It was revealed that the as-cast TiZrNbTaMo HEA consisted of dual phases with bcc structure, major bcc1 and minor bcc2 phases with the lattice parameters of 0.3310nm and 0.3379nm, respectively. As confirmed by nanoindentation tests, the bcc1 phase is somewhat harder and stiffer than the bcc2 phase. The TiZrNbTaMo HEA exhibited Young's modulus of 153GPa, Vickers microhardness of 4.9GPa, compressive yield strength of σ y =1390MPa and apparent plastic strain of ε p ≈6% prior to failure. Moreover, the TiZrNbTaMo HEA manifested excellent corrosion resistance in PBS, comparable to the Ti6Al4V alloy, and pitting resistance remarkably superior to the 316L SS and CoCrMo alloys. These preliminary advantages of the TiZrNbTaMo HEA over the current orthopedic implant metals in mechanical properties and corrosion resistance offer an opportunity to explore new orthopedic-implant alloys based on the TiZrNbTaMo concentrated composition. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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)

  2. 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.)

  3. Improved speed and data retention characteristics in flash memory using a stacked HfO2/Ta2O5 charge-trapping layer

    International Nuclear Information System (INIS)

    Zheng, Zhiwei; Huo, Zongliang; Zhang, Manhong; Zhu, Chenxin; Liu, Jing; Liu, Ming

    2011-01-01

    This paper reports the simultaneous improvements in erase speed and data retention characteristics in flash memory using a stacked HfO 2 /Ta 2 O 5 charge-trapping layer. In comparison to a memory capacitor with a single HfO 2 trapping layer, the erase speed of a memory capacitor with a stacked HfO 2 /Ta 2 O 5 charge-trapping layer is 100 times faster and its memory window is enlarged from 2.7 to 4.8 V for the same ±16 V sweeping voltage range. With the same initial window of ΔV FB = 4 V, the device with a stacked HfO 2 /Ta 2 O 5 charge-trapping layer has a 3.5 V extrapolated 10-year retention window, while the control device with a single HfO 2 trapping layer has only 2.5 V for the extrapolated 10-year window. The present results demonstrate that the device with the stacked HfO 2 /Ta 2 O 5 charge-trapping layer has a strong potential for future high-performance nonvolatile memory application

  4. 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.

  5. Robust tribo-mechanical and hot corrosion resistance of ultra-refractory Ta-Hf-C ternary alloy films.

    Science.gov (United States)

    Yate, Luis; Coy, L Emerson; Aperador, Willian

    2017-06-08

    In this work we report the hot corrosion properties of binary and ternary films of the Ta-Hf-C system in V 2 O 5 -Na 2 SO 4 (50%wt.-50%wt.) molten salts at 700 °C deposited on AISI D3 steel substrates. Additionally, the mechanical and nanowear properties of the films were studied. The results show that the ternary alloys consist of solid solutions of the TaC and HfC binary carbides. The ternary alloy films have higher hardness and elastic recoveries, reaching 26.2 GPa and 87%, respectively, and lower nanowear when compared to the binary films. The corrosion rates of the ternary alloys have a superior behavior compared to the binary films, with corrosion rates as low as 0.058 μm/year. The combination and tunability of high hardness, elastic recovery, low nanowear and an excellent resistance to high temperature corrosion demonstrates the potential of the ternary Ta-Hf-C alloy films for applications in extreme conditions.

  6. TaN interface properties and electric field cycling effects on ferroelectric Si-doped HfO2 thin films

    International Nuclear Information System (INIS)

    Lomenzo, Patrick D.; Nishida, Toshikazu; Takmeel, Qanit; Zhou, Chuanzhen; Fancher, Chris M.; Jones, Jacob L.; Lambers, Eric; Rudawski, Nicholas G.; Moghaddam, Saeed

    2015-01-01

    Ferroelectric HfO 2 -based thin films, which can exhibit ferroelectric properties down to sub-10 nm thicknesses, are a promising candidate for emerging high density memory technologies. As the ferroelectric thickness continues to shrink, the electrode-ferroelectric interface properties play an increasingly important role. We investigate the TaN interface properties on 10 nm thick Si-doped HfO 2 thin films fabricated in a TaN metal-ferroelectric-metal stack which exhibit highly asymmetric ferroelectric characteristics. To understand the asymmetric behavior of the ferroelectric characteristics of the Si-doped HfO 2 thin films, the chemical interface properties of sputtered TaN bottom and top electrodes are probed with x-ray photoelectron spectroscopy. Ta-O bonds at the bottom electrode interface and a significant presence of Hf-N bonds at both electrode interfaces are identified. It is shown that the chemical heterogeneity of the bottom and top electrode interfaces gives rise to an internal electric field, which causes the as-grown ferroelectric domains to preferentially polarize to screen positively charged oxygen vacancies aggregated at the oxidized bottom electrode interface. Electric field cycling is shown to reduce the internal electric field with a concomitant increase in remanent polarization and decrease in relative permittivity. Through an analysis of pulsed transient switching currents, back-switching is observed in Si-doped HfO 2 thin films with pinched hysteresis loops and is shown to be influenced by the internal electric field

  7. Search for high entropy alloys in the X-NbTaTiZr systems (X = Al, Cr, V, Sn)

    Energy Technology Data Exchange (ETDEWEB)

    Poletti, Marco Gabriele, E-mail: marcogabriele.poletti@unito.it [Dipartimento di Chimica, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy); Fiore, Gianluca [Dipartimento di Chimica, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy); Szost, Blanka A. [Strategic and Emerging Technologies Team (TEC-TS), European Space Agency, ESTEC, 1 Keplerlaan, 2201 AZ Noordwijk (Netherlands); Battezzati, Livio [Dipartimento di Chimica, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)

    2015-01-25

    Highlights: • Composition of refractory high entropy alloys predicted. • Solid solutions found in VNbTaTiZr and AlNbTaTiZr. • Alloys containing Cr and Sn are multi-phased. - Abstract: High entropy alloys, i.e. solid solution phases, are sought in the X-NbTaTiZr equiatomic system where the X element was chosen as Al, Cr, V and Sn by applying recent criteria based on size and electronegativity mismatch of alloy components, number of itinerant and total valence electrons, and the temperature at which the free energy of mixing changes at the alloy composition. The alloys containing V and Al are mostly constituted by solid solutions in good agreement with prediction.

  8. 180Ta/sup g,m/ production cross sections form the 180Hf(p,n) reaction

    International Nuclear Information System (INIS)

    Norman, E.B.; Renner, T.R.; Grant, P.J.

    1981-01-01

    Cross sections have been determined for the production of the J/sup π/ = 1 + 180 Ta/sup g/ and the J/sup π/= 9 - 180 Ta/sup m/ from the 180 Hf(p,n) reaction. The 180 Ta/sup g/ cross sections were determined from measurements of γ-rays emitted following the electron-capture and β-decay of this 8.1-hour state. Total 180 Ta production cross sections were determined from measurements of the thick-target (p,n) yield. 180 Ta/sup m/ cross sections were calculated by subtracting the 180 Ta/sup g/ cross sections from the total (p,n) cross sections. These measurements are compared with the results of a statistical-model evaporation calculation

  9. 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.

  10. The glass-like thermal conductivity in ZrO2-Dy3TaO7 ceramic for promising thermal barrier coating application

    Science.gov (United States)

    Wu, Peng; Hu, Ming Yu; Chong, Xiao Yu; Feng, Jing

    2018-03-01

    Using the solid-state reaction method, the (ZrO2)x-(Dy3TaO7)1-x (x = 0, 0.02, 0.04, 0.06, 0.08, and 0.1) ceramics are synthesized in this work. The identification of the crystal structures indicates that the (ZrO2)x-(Dy3TaO7)1-x ceramics belong to the orthorhombic system, and the space group is C2221 in spite of the value of x increasing to 0.1. The thermal conductivities of the (ZrO2)x-(Dy3TaO7)1-x ceramics range from 1.3 W/(m K) to 1.8 W/(m K), and this value is much lower than that of 7-8 YSZ (yttria-stabilized zirconia). Besides, the (ZrO2)x-(Dy3TaO7)1-x ceramics possess the glass-like thermal conductivity caused by intrinsic oxygen vacancies existing in the lattice of Dy3TaO7. Moreover, the results of thermal expansion rates demonstrate that the (ZrO2)x-(Dy3TaO7)1-x ceramics possess excellent high temperature phase stability, and the thermal expansion coefficients [(9.7-11) × 10-6 K-1] are comparable to that of 7-8 YSZ.

  11. 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)

  12. Magnetic and magnetocaloric properties of itinerant-electron system Hf{sub 1−x}Ta{sub x}Fe{sub 2} (x = 0.125 and 0.175)

    Energy Technology Data Exchange (ETDEWEB)

    Diop, L.V.B. [Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France); Kastil, J. [Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France); Institute of Physics AS CR v.v.i., Na Slovance 2, 182 21 Prague 8 (Czech Republic); Isnard, O. [Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France); Arnold, Z.; Kamarad, J. [Institute of Physics AS CR v.v.i., Na Slovance 2, 182 21 Prague 8 (Czech Republic)

    2015-04-05

    Highlights: • First report of the direct measurement of ΔT{sub ad} in Hf{sub 1−x}Ta{sub x}Fe{sub 2} compounds. • ΔT{sub ad} reach values of 2.5 K under μ{sub 0}ΔH = 3 T for x = 0.175 compound. • A field induced metamagnetic phase transition has been observed. - Abstract: Intrinsic magnetic properties and magnetocaloric effect (MCE) have been investigated for Hf{sub 1−x}Ta{sub x}Fe{sub 2} (x = 0.125 and 0.175) itinerant-electron compounds which exhibit a temperature-induced transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state. Upon increasing Ta concentration, the ferromagnetic ordering temperature strongly decreases with decreasing the lattice parameters and both the isothermal magnetic entropy change ΔS{sub M} and the adiabatic temperature change ΔT{sub ad} are enhanced. An adiabatic temperature change of ΔT{sub ad} = 2 and 2.5 K was observed in Hf{sub 0.875}Ta{sub 0.125}Fe{sub 2} and Hf{sub 0.825}Ta{sub 0.175}Fe{sub 2}, respectively, for a magnetic field change of 3 T. Therefore, the partial substitution of Ta for Hf is highly effective in the enhancement of the magnetocaloric effect in Hf{sub 1−x}Ta{sub x}Fe{sub 2} systems. In addition substitution can be used to tune both the transition temperature but also the magnetic transition from first toward second order type.

  13. An assessment of the Th-Hf-Ta diagram as a discriminant for tectomagnetic classifications and in the detection of crustal contamination of magmas

    International Nuclear Information System (INIS)

    Thompson, R.N.; Morrison, M.A.; Mattey, D.P.; Dickin, A.P.; Moorbath, S.

    1980-01-01

    The Th-Hf-Ta diagram, recently proposed as a means of discriminating basalts erupted in various tectonic environments and of detecting crustal contamination in such magmas, is shown to be unsatisfactory for both of its stated purposes. Data are presented for Th, Hf, Ta, Sr and Sr- and Pb-isotopes in basic lavas and a dolerite sill from the ensialic British Tertiary Volcanic Province (BTVP). Taken in conjunction with published results, the isotopic ratios show that some of the BTVP basic magmas are essentially uncontaminated by continental crust, except for the selective introduction of small variable amounts of unradiogenic Pb. Those BTVP magmas which show appreciable isotopic contamination have interacted with either upper or lower crust, or both. Th/(Hf + Ta) is insensitive to contamination with the Th-poor lower crust of cratons but rises during gross contamination with Th-rich upper crust. BTVP basic magmas containing negligible to moderate crustal isotopic components plot in the field of the Th-Hf-Ta diagram occupied by normal mid-ocean ridge basalts. Other volcanic provinces of known tectonic setting which plot wholly or partially outside their appropriate fields on the Th-Hf-Ta diagram are: the Hawaii-Emperor Seamount Chain, the Snake River Plain (Idaho, U.S.A.), the Azores and the Gregory Rift (Kenya). (orig.)

  14. 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

  15. 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)

  16. 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.

  17. Ti-25Ta-Zr alloys for biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Kuroda, Pedro Akira Bazaglia; Quadros, Fernanda Freitas; Grandini, Carlos Roberto, E-mail: pedro@fc.unesp.br [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Bauru, SP (Brazil). Faculdade de Ciencias

    2016-07-01

    Full text: The most widely used titanium alloy for biomedical applications is Ti-6Al-4V, however, previous studies showed that vanadium cause allergic reactions in human tissue and aluminum has been associated with neurological disorders. Then, to solve this problem, new titanium alloys without the presence of these elements are being developed, with the addition of different elements, usually the β-stabilizers, which can change its microstructure and mechanical properties, and may make the titanium and its alloys, most promising for use as biomaterial. In this paper the development and characterization of Ti-25Ta-(10-40)Zr alloys, for biomedical applications are discussed. X-ray diffraction results show the coexistence of α', α” and β phases, which are corroborated by SEM results. The results of microhardness and elastic modulus present an anomaly for the alloy with 10 wt% Zr, due, probably the presence of ω phase. (author)

  18. Electric conductivity of PCl5-ZrCl4, PCl5-TaCl5, and PCl5-MoCl5 molten mixtures

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Red'kin, A.A.; Moskalenko, N.I.

    1997-01-01

    When mixing individual molecular melts of PCl 5 with ZrCl 4 , TaCl 5 or with MoCl 5 , an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm -1 ·cm -1 ), which stems, in all probability, from the appearance of complex ions PCl 4 + , ZrCl 5 - , ZrCl 6 2- , TaCl 5 - and MoCl 6 - in the molten mixtures as a result of chemical interaction

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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

  6. Wear resistance of laser-deposited boride reinforced Ti-Nb-Zr-Ta alloy composites for orthopedic implants

    International Nuclear Information System (INIS)

    Samuel, Sonia; Nag, Soumya; Scharf, Thomas W.; Banerjee, Rajarshi

    2008-01-01

    The inherently poor wear resistance of titanium alloys limits their application as femoral heads in femoral (hip) implants. Reinforcing the soft matrix of titanium alloys (including new generation β-Ti alloys) with hard ceramic precipitates such as borides offers the possibility of substantially enhancing the wear resistance of these composites. The present study discusses the microstructure and wear resistance of laser-deposited boride reinforced composites based on Ti-Nb-Zr-Ta alloys. These composites have been deposited using the LENS TM process from a blend of elemental Ti, Nb, Zr, Ta, and boron powders and consist of complex borides dispersed in a matrix of β-Ti. The wear resistance of these composites has been compared with that of Ti-6Al-4V ELI, the current material of choice for orthopedic femoral implants, against two types of counterfaces, hard Si 3 N 4 and softer SS440C stainless steel. Results suggest a substantial improvement in the wear resistance of the boride reinforced Ti-Nb-Zr-Ta alloys as compared with Ti-6Al-4V ELI against the softer counterface of SS440. The presence of an oxide layer on the surface of these alloys and composites also appears to have a substantial effect in terms of enhanced wear resistance

  7. (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.

  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. 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. High-frequency permeability in double-layered structure of amorphous Co-Ta-Zr films

    International Nuclear Information System (INIS)

    Ochiai, Y.; Hayakawa, M.; Hayashi, K.; Aso, K.

    1988-01-01

    The high-frequency permeability of amorphous Co-Ta-Zr films was studied and the frequency dependence was described in terms of the eddy-current-loss formula. For the double-layered structure intervened with SiO 2 film, the degradation of the permeability became apparent with the decrease of SiO 2 thickness

  11. 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.

  12. Surface characteristics of hydroxyapatite/titanium composite layer on the Ti-35Ta-xZr surface by RF and DC sputtering

    International Nuclear Information System (INIS)

    Kim, Won-Gi; Choe, Han-Cheol

    2011-01-01

    The purpose of this study was to investigate the surface characteristics of hydroxyapatite (HA)/titanium (Ti) composite layer on the Ti-35Ta-xZr alloy surface by radio frequency (RF) and direct current (DC) sputtering for dental application. The magnetron sputtered deposition for the HA was performed in the RF mode and for the Ti in the DC mode. Microstructures of the alloys were examined by optical microscopy (OM) and x-ray diffractometer (XRD). Surface characteristics of coated film was investigated by field-emission scanning electron microscope (FE-SEM) equipped with an energy dispersive x-ray spectrometer (EDS), and XRD. Microstructures of the Ti-35Ta-xZr alloys were changed from α'' phase to β phase, and changed from a needle-like structure to an equiaxed structure with increasing Zr content. From the results of polarization behavior in the Ti-35Ta-15Zr alloy, HA/Ti composite layer showed the good corrosion resistance compared to Ti single layer. The results of alternating current (AC) impedance test indicated that the presence of ha coating acted as a stable barrier in increasing the corrosion resistance.

  13. 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

  14. Coexistence of different charge states in Ta-doped monoclinic HfO2: Theoretical and experimental approaches

    DEFF Research Database (Denmark)

    Taylor, M.A.; Alonso, R.E.; Errico, L.A.

    2010-01-01

    A combination of experiments and ab initio quantum-mechanical calculations has been applied to examine hyperfine interactions in Ta-doped hafnium dioxide. Although the properties of monoclinic HfO2 have been the subject of several earlier studies, some aspects remain open. In particular, time dif...

  15. 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.)

  16. 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.

  17. Design of Refractory High-Entropy Alloys

    Science.gov (United States)

    Gao, M. C.; Carney, C. S.; Doğan, Ö. N.; Jablonksi, P. D.; Hawk, J. A.; Alman, D. E.

    2015-11-01

    This report presents a design methodology for refractory high-entropy alloys with a body-centered cubic (bcc) structure using select empirical parameters (i.e., enthalpy of mixing, atomic size difference, Ω-parameter, and electronegativity difference) and CALPHAD approach. Sixteen alloys in equimolar compositions ranging from quinary to ennead systems were designed with experimental verification studies performed on two alloys using x-ray diffraction, energy-dispersive spectroscopy, and scanning electron microscopy. Two bcc phases were identified in the as-cast HfMoNbTaTiVZr, whereas multiple phases formed in the as-cast HfMoNbTaTiVWZr. Observed elemental segregation in the alloys qualitatively agrees with CALPHAD prediction. Comparisons of the thermodynamic mixing properties for liquid and bcc phases using the Miedema model and CALPHAD are presented. This study demonstrates that CALPHAD is more effective in predicting HEA formation than empirical parameters, and new single bcc HEAs are suggested: HfMoNbTiZr, HfMoTaTiZr, NbTaTiVZr, HfMoNbTaTiZr, HfMoTaTiVZr, and MoNbTaTiVZr.

  18. Charge trapping of Ge-nanocrystals embedded in TaZrOx dielectric films

    International Nuclear Information System (INIS)

    Lehninger, D.; Seidel, P.; Geyer, M.; Schneider, F.; Heitmann, J.; Klemm, V.; Rafaja, D.; Borany, J. von

    2015-01-01

    Ge-nanocrystals (NCs) were synthesized in amorphous TaZrO x by thermal annealing of co-sputtered Ge-TaZrO x layers. Formation of spherical shaped Ge-NCs with small variation of size, areal density, and depth distribution was confirmed by high-resolution transmission electron microscopy. The charge storage characteristics of the Ge-NCs were investigated by capacitance-voltage and constant-capacity measurements using metal-insulator-semiconductor structures. Samples with Ge-NCs exhibit a maximum memory window of 5 V by sweeping the bias voltage from −7 V to 7 V and back. Below this maximum, the width of the memory window can be controlled by the bias voltage. The fitted slope of the memory window versus bias voltage characteristics is very close to 1 for samples with one layer Ge-NCs. A second layer Ge-NCs does not result in a second flat stair in the memory window characteristics. Constant-capacity measurements indicate charge storage in trapping centers at the interfaces between the Ge-NCs and the surrounding materials (amorphous matrix/tunneling oxide). Charge loss occurs by thermal detrapping and subsequent band-to-band tunneling. Reference samples without Ge-NCs do not show any memory window

  19. 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.)

  20. 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.

  1. 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.

  2. Electric conductivity of PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, and PCl{sub 5}-MoCl{sub 5} molten mixtures; Ehlektroprovodnost` rasplavlennykh sistem PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, i PCl{sub 5}-MoCl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Red` kin, A A; Moskalenko, N I [Inst. Vysokotemperaturnoj Ehlektrokhimii UrO RAN, Ekaterinburg (Russian Federation)

    1997-05-01

    When mixing individual molecular melts of PCl{sub 5} with ZrCl{sub 4}, TaCl{sub 5} or with MoCl{sub 5}, an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm{sup -1}{center_dot}cm{sup -1}), which stems, in all probability, from the appearance of complex ions PCl{sub 4}{sup +}, ZrCl{sub 5}{sup -}, ZrCl{sub 6}{sup 2-}, TaCl{sub 5}{sup -} and MoCl{sub 6}{sup -} in the molten mixtures as a result of chemical interaction. 12 refs., 3 figs., 1 tab.

  3. 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

  4. Niobium alloys production with elements of high steam pressure and high ductilidate Nb46,5%Ti, Nb 1%Zr, Nb 1%Ti and Nb20% Ta

    International Nuclear Information System (INIS)

    Pinatti, D.G.; Baldan, C.A.; Dainesi, C.R.; Sandim, H.R.Z.

    1988-01-01

    The melting technology of niobium alloys with high ductilidade and high steam pressure, having the Ti, Zr and Ta as alloying elements is described. The electron beam technique for production of Nb 46,5%Ti, Nb 1%Zr and Nb 20%Ta alloys is analysed, aiming a product with high grade and low cost. (C.G.C.) [pt

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

    Energy Technology Data Exchange (ETDEWEB)

    Izquierdo, Javier [Department of Chemistry, Universidad de La Laguna, P.O. Box 456, E-38200 La Laguna, Tenerife (Spain); Bolat, Georgiana [“Gheorghe Asachi” Technical University of Iasi, Faculty of Chemical Engineering and Environmental Protection, 73 Prof. Dr. Doc. D. Mangeron Street, 700050 Iasi (Romania); Cimpoesu, Nicanor [“Gheorghe Asachi” Technical University of Iasi, Faculty of Materials Science, 61-63 Prof. Dr. Doc. D. Mangeron Street, 700050 Iasi (Romania); Trinca, Lucia Carmen [Science Department, University of Agricultural Sciences and Veterinary Medicine, M. Sadoveanu Alley 3, 700490 Iasi (Romania); Mareci, Daniel, E-mail: danmareci@yahoo.com [“Gheorghe Asachi” Technical University of Iasi, Faculty of Chemical Engineering and Environmental Protection, 73 Prof. Dr. Doc. D. Mangeron Street, 700050 Iasi (Romania); Souto, Ricardo Manuel, E-mail: rsouto@ull.es [Department of Chemistry, Universidad de La Laguna, P.O. Box 456, E-38200 La Laguna, Tenerife (Spain); Institute of Material Science and Nanotechnology, Universidad de La Laguna, E-38200 La Laguna, Tenerife (Spain)

    2016-11-01

    Highlights: • New quarternary Ti-based alloy for biomaterial application. • Combined hydroxyapatite-zirconia coating produced by pulsed laser deposition. • Porous layer formed on the coated alloy blocks electron transfer reactions. • Electrochemical behaviour consistent with passive film with duplex structure. • HA–ZrO{sub 2} coated Ti-21Nb-15Ta-6Zr exhibits high potential for osseointegration. - Abstract: A new titanium base Ti-21Nb-15Ta-6Zr alloy covered with hydroxyapatite-zirconia (HA–ZrO{sub 2}) by pulsed laser deposition (PLD) technique was characterized regarding its corrosion resistance in simulated physiological Ringer’s solution at 37 °C. For the sake of comparison, Ti-6Al-4V standard implant alloy, with and without hydroxyapatite-zirconia coating, was also characterized. Multiscale electrochemical analysis using both conventional averaging electrochemical techniques, namely electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization, and spatially-resolved microelectrochemical techniques (scanning electrochemical microscopy, SECM) were used to investigate the electrochemical behaviour of the materials. In addition, scanning electron microscopy evidenced that no relevant surface morphology changes occurred on the materials upon immersion in the simulated physiological solution, despite variations in their electrochemical behaviour. Although uncoated metals appear to show better performances during conventional corrosion tests, the response is still quite similar for the HA–ZrO{sub 2} coated materials while providing superior resistance towards electron transfer due to the formation of a more dense film on the surface, thus effectively behaving as a passive material. It is believed corrosion of the HA–ZrO{sub 2} coated Ti-21Nb-15Ta-6Zr alloy will have negligible effect upon biochemical and cellular events at the bone-implant interface and could facilitate osseointegration.

  6. Improvement of bio-corrosion resistance for Ti42Zr40Si15Ta3 metallic glasses in simulated body fluid by annealing within supercooled liquid region.

    Science.gov (United States)

    Huang, C H; Lai, J J; Wei, T Y; Chen, Y H; Wang, X; Kuan, S Y; Huang, J C

    2015-01-01

    The effects of the nanocrystalline phases on the bio-corrosion behavior of highly bio-friendly Ti42Zr40Si15Ta3 metallic glasses in simulated body fluid were investigated, and the findings are compared with our previous observations from the Zr53Cu30Ni9Al8 metallic glasses. The Ti42Zr40Si15Ta3 metallic glasses were annealed at temperatures above the glass transition temperature, Tg, with different time periods to result in different degrees of α-Ti nano-phases in the amorphous matrix. The nanocrystallized Ti42Zr40Si15Ta3 metallic glasses containing corrosion resistant α-Ti phases exhibited more promising bio-corrosion resistance, due to the superior pitting resistance. This is distinctly different from the previous case of the Zr53Cu30Ni9Al8 metallic glasses with the reactive Zr2Cu phases inducing serious galvanic corrosion and lower bio-corrosion resistance. Thus, whether the fully amorphous or partially crystallized metallic glass would exhibit better bio-corrosion resistance, the answer would depend on the crystallized phase nature. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. 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.

  8. Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Bastug, T.

    1999-01-01

    Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

  9. 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.

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

    Science.gov (United States)

    Tel, E.; Yiğit, M.; Tanır, G.

    2012-04-01

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

  11. 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

  12. 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.

  13. 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

  14. Evidence for Nb-Ta Occurrences in the Syn-Tectonic Pan-African Mayo Salah Leucogranite (Northern Cameroon: Constraints from Nb-Ta Oxide Mineralogy, Geochemistry and U-Pb LA-ICP-MS Geochronology on Columbite and Monazite

    Directory of Open Access Journals (Sweden)

    Periclex Martial Fosso Tchunte

    2018-04-01

    Full Text Available The Mayo Salah pluton, which is located in the North-Cameroon domain of Central African Bold Belt (CAFB, is emplaced as a laccolith in volcano-sedimentary schists of Poli series, and displays features of Rare-metal Granite (RMG. It is made of two main rock groups: (1 the metaluminous barren muscovite granite (MsG and (2 the Nb-Ta bearing peraluminous leucogranite (MsL which expresses four subtypes. The evolved Rare-element MsL is subalkaline, slightly peraluminous (ASI = 1.01–1.21, and it displays flat REE chondrite-normalized patterns with a strong negative Eu anomaly (Eu/Eu* = 0.02–0.20. It belongs to the peraluminous low phosphorus Rare-element Granites and L-type igneous rocks, as shown by the relatively low Zr/Hf (4.8–14 and Nb/Ta (1.4–9.0 ratios and the positive slope of the Zr-Hf-Nb-Ta profile in spider diagrams. The rare-element-bearing mineral is represented by columbite-group minerals (CGM and other Nb-Ta-oxides (Nb-rutile and pyrochlore supergroup minerals. The CGM is classified as Mn-columbite, with Ta# and Mn# ratios increasing from core to rim. Two stages of mineralization are identified; the earliest stage (CGM-I consists in scattered tabular or prismatic euhedral grains that were related to magmatic fractionation. The latest stage (CGM-II is expressed as a Ta-rich Mn hydrothermal CGM episode represented as rims and/overgrowths around and/or as veinlet crosscutting CGM-I or in cleavage planes of muscovite. The U-Pb dating of columbite and monazite of the Mayo Salah leucogranite indicates a late-Neoproterozoic magmatic-hydrothermal mineralization event from 603.2 ± 5.3 to 581.6 ± 7.2 Ma, as consistent with both late D2 to D3 events that were recorded in the CAFB in Cameroon, and the associated continental collision environment. The Nb-Ta mineralization of the Mayo Salah pluton provides evidence for the presence of RMG in Northern Cameroon of CAFB, and its temporal association with the youngest period of metallogenic epoch

  15. A model for Nb-Zr-REE-Ga enrichment in Lopingian altered alkaline volcanic ashes: Key evidence of H-O isotopes

    Science.gov (United States)

    Dai, Shifeng; Nechaev, Victor P.; Chekryzhov, Igor Yu.; Zhao, Lixin; Vysotskiy, Sergei V.; Graham, Ian; Ward, Colin R.; Ignatiev, Alexander V.; Velivetskaya, Tatyana A.; Zhao, Lei; French, David; Hower, James C.

    2018-03-01

    Clay-altered volcanic ash with highly-elevated concentrations of Nb(Ta), Zr(Hf), rare earth elements (REE), and Ga, is a new type of critical metal deposit with high commercial prospects that has been discovered in Yunnan Province, southwest China. Previous studies showed that the volcanic ashes had been subjected to hydrothermal fluids, the nature of which, however, is not clear. Here we show that the volcanic ashes were originated from alkaline magmatism, followed by a continuous hydrothermal-weathering process. Heated meteoric waters, which were sourced from acidic rains and mixed with CO2 from degassing of the Emeishan plume, have caused partial, but widespread, acidic leaching of Nb, Ta, Zr, Hf, REE, and Ga into ground water and residual enrichment of these elements, along with Al and Ti, in the deeply altered rocks. Subsequent alteration occurring under cooler, neutral or alkaline conditions, caused by water-rock interaction, resulted in precipitation of the leached critical metals in the deposit. Polymetallic mineralization of similar origin may be found in other continental regions subjected to explosive alkaline volcanism associated with deep weathering in humid conditions.

  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

    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.

  17. Self-propagating high temperature synthesis as a method of determination of formation heat of refractory compounds

    International Nuclear Information System (INIS)

    Maslov, V.M.; Neganov, A.S.; Borovinskaya, I.P.; Merzhanov, A.G.

    1978-01-01

    Determination possibility of formation heats of refractory compounds in the process of direct synthesis from elements in a special calorimeter in the combustion regime is studied. Determined are formation heats of carbides - ZrCsub(0.92), Hf Csub(0.93), TaCsub(0.86), borides - ZrB 2 , HfB 2 NbB, NbB 2 , TaB, TaB 2 , MoB and silicides - ZrSi, ZrSi 2 , MoSi 2 . The results of chemical and x-ray phase analyses of the synthesized compounds are also given. Total error of formation heat determination methods does not surpass 2.0%

  18. Charge trapping of Ge-nanocrystals embedded in TaZrO{sub x} dielectric films

    Energy Technology Data Exchange (ETDEWEB)

    Lehninger, D., E-mail: David.Lehninger@physik.tu-freiberg.de; Seidel, P.; Geyer, M.; Schneider, F.; Heitmann, J. [Institute of Applied Physics, TU Bergakademie Freiberg, D-09596 Freiberg (Germany); Klemm, V.; Rafaja, D. [Institute of Materials Science, TU Bergakademie Freiberg, D-09596 Freiberg (Germany); Borany, J. von [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, D-01314 Dresden (Germany)

    2015-01-12

    Ge-nanocrystals (NCs) were synthesized in amorphous TaZrO{sub x} by thermal annealing of co-sputtered Ge-TaZrO{sub x} layers. Formation of spherical shaped Ge-NCs with small variation of size, areal density, and depth distribution was confirmed by high-resolution transmission electron microscopy. The charge storage characteristics of the Ge-NCs were investigated by capacitance-voltage and constant-capacity measurements using metal-insulator-semiconductor structures. Samples with Ge-NCs exhibit a maximum memory window of 5 V by sweeping the bias voltage from −7 V to 7 V and back. Below this maximum, the width of the memory window can be controlled by the bias voltage. The fitted slope of the memory window versus bias voltage characteristics is very close to 1 for samples with one layer Ge-NCs. A second layer Ge-NCs does not result in a second flat stair in the memory window characteristics. Constant-capacity measurements indicate charge storage in trapping centers at the interfaces between the Ge-NCs and the surrounding materials (amorphous matrix/tunneling oxide). Charge loss occurs by thermal detrapping and subsequent band-to-band tunneling. Reference samples without Ge-NCs do not show any memory window.

  19. Study of antiferro – ferromagnetic phase coexistence in Ta doped HfFe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bag, Pallab, E-mail: pallab@csr.res.in [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, MP (India); Singh, Sanjay [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Babu, P.D.; Siruguri, Vasudeva [UGC-DAE Consortium for Scientific Research, Mumbai Centre, R-5 Shed, BARC, Mumbai 400085 (India); Rawat, Rajeev [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, MP (India)

    2014-09-01

    First order antiferromagnetic (AFM) to ferromagnetic (FM) transition in Hf{sub 1−x}Ta{sub x}Fe{sub 2} with x∼0.225 compounds was studied by resistivity, magnetization and X-ray diffraction (XRD) measurements at low temperature. Magnetization measurements as a function of temperature and magnetic field show path dependent FM phase fraction at 5 K for x=0.225. XRD measurements at 15 K show co-existing AFM and FM phases for this composition with ∼0.9% unit cell volume difference of FM and AFM phase.

  20. 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.

  1. 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.

  2. 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)

  3. 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.

  4. 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

  5. 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.

  6. Wet thermal annealing effect on TaN/HfO2/Ge metal—oxide—semiconductor capacitors with and without a GeO2 passivation layer

    International Nuclear Information System (INIS)

    Liu Guan-Zhou; Li Cheng; Lu Chang-Bao; Tang Rui-Fan; Tang Meng-Rao; Wu Zheng; Yang Xu; Huang Wei; Lai Hong-Kai; Chen Song-Yan

    2012-01-01

    Wet thermal annealing effects on the properties of TaN/HfO 2 /Ge metal—oxide—semiconductor (MOS) structures with and without a GeO 2 passivation layer are investigated. The physical and the electrical properties are characterized by X-ray photoemission spectroscopy, high-resolution transmission electron microscopy, capacitance—voltage (C—V) and current—voltage characteristics. It is demonstrated that wet thermal annealing at relatively higher temperature such as 550 °C can lead to Ge incorporation in HfO 2 and the partial crystallization of HfO 2 , which should be responsible for the serious degradation of the electrical characteristics of the TaN/HfO 2 /Ge MOS capacitors. However, wet thermal annealing at 400 °C can decrease the GeO x interlayer thickness at the HfO 2 /Ge interface, resulting in a significant reduction of the interface states and a smaller effective oxide thickness, along with the introduction of a positive charge in the dielectrics due to the hydrolyzable property of GeO x in the wet ambient. The pre-growth of a thin GeO 2 passivation layer can effectively suppress the interface states and improve the C—V characteristics for the as-prepared HfO 2 gated Ge MOS capacitors, but it also dissembles the benefits of wet thermal annealing to a certain extent

  7. 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.

  8. Corrosion resistance and in vitro response of laser-deposited Ti-Nb-Zr-Ta alloys for orthopedic implant applications.

    Science.gov (United States)

    Samuel, Sonia; Nag, Soumya; Nasrazadani, Seifollah; Ukirde, Vaishali; El Bouanani, Mohamed; Mohandas, Arunesh; Nguyen, Kytai; Banerjee, Rajarshi

    2010-09-15

    While direct metal deposition of metallic powders, via laser deposition, to form near-net shape orthopedic implants is an upcoming and highly promising technology, the corrosion resistance and biocompatibility of such novel metallic biomaterials is relatively unknown and warrants careful investigation. This article presents the results of some initial studies on the corrosion resistance and in vitro response of laser-deposited Ti-Nb-Zr-Ta alloys. These new generation beta titanium alloys are promising due to their low elastic modulus as well as due the fact that they comprise of completely biocompatible alloying elements. The results indicate that the corrosion resistance of these laser-deposited alloys is comparable and in some cases even better than the currently used commercially-pure (CP) titanium (Grade 2) and Ti-6Al-4V ELI alloys. The in vitro studies indicate that the Ti-Nb-Zr-Ta alloys exhibit comparable cell proliferation but enhanced cell differentiation properties as compared with Ti-6Al-4V ELI. (c) 2010 Wiley Periodicals, Inc.

  9. Effect of the valence electron concentration on the bulk modulus and chemical bonding in Ta2AC and Zr2AC (A=Al, Si, and P)

    International Nuclear Information System (INIS)

    Schneider, Jochen M.; Music, Denis; Sun Zhimei

    2005-01-01

    We have studied the effect of the valence electron concentration, on the bulk modulus and the chemical bonding in Ta 2 AC and Zr 2 AC (A=Al, Si, and P) by means of ab initio calculations. Our equilibrium volume and the hexagonal ratio (c/a) agree well (within 2.7% and 1.2%, respectively) with previously published experimental data for Ta 2 AlC. The bulk moduli of both Ta 2 AC and Zr 2 AC increase as Al is substituted with Si and P by 13.1% and 20.1%, respectively. This can be understood since the substitution is associated with an increased valence electron concentration, resulting in band filling and an extensive increase in cohesion

  10. Broadband strip-line ferromagnetic resonance spectroscopy of soft magnetic CoFeTaZr patterned thin films

    Science.gov (United States)

    Gupta, S.; Kumar, D.; Jin, T. L.; Nongjai, R.; Asokan, K.; Ghosh, A.; Aparnadevi, M.; Suri, P.; Piramanayagam, S. N.

    2018-05-01

    In this paper, magnetic and magnetization dynamic properties of compositionally patterned Co46Fe40Ta9Zr5 thin films are investigated. A combination of self-assembly and ion-implantation was employed to locally alter the composition of Co46Fe40Ta9Zr5 thin film in a periodic manner. 20 keV O+ and 60 keV N+ ions were implanted at different doses in order to modify the magnetization dynamic properties of the samples in a controlled fashion. Magnetic hysteresis loop measurements revealed significant changes in the coercivity for higher influences of 5 × 1016 ions per cm2. In particular, N+ implantation was observed to induce two phase formation with high and low coercivities. Broadband strip-line ferromagnetic resonance spectroscopy over wide range of frequency (8 - 20 GHz) was used to study the magnetization dynamics as a function of ion-beam dosage. With higher fluences, damping constant showed a continuous increase from 0.0103 to 0.0430. Such control of magnetic properties at nano-scale using this method is believed to be useful for spintronics and microwave device applications.

  11. 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.

  12. Effects of shot-peening and atmospheric-pressure plasma on aesthetic improvement of Ti-Nb-Ta-Zr alloy for dental applications

    Science.gov (United States)

    Miura-Fujiwara, Eri; Suzuki, Yuu; Ito, Michiko; Yamada, Motoko; Matsutake, Sinpei; Takashima, Seigo; Sato, Hisashi; Watanabe, Yoshimi

    2018-01-01

    Ti and Ti alloys are widely used for biomedical applications such as artificial joints and dental devices because of their good mechanical properties and biochemical compatibility. However, dental devices made of Ti and Ti alloys do not have the same color as teeth, so they are inferior to ceramics and polymers in terms of aesthetic properties. In a previous study, Ti-29Nb-13Ta-4.6Zr was coated with a white Ti oxide layer by heat treatment to improve its aesthetic properties. Shot-peening is a severe plastic deformation process and can introduce a large shear strain on the peened surface. In this study, the effects of shot-peening and atmospheric-pressure plasma on Ti-29Nb-13Ta-4.6Zr were investigated to form a white layer on the surface for dental applications.

  13. Bone bonding bioactivity of Ti metal and Ti-Zr-Nb-Ta alloys with Ca ions incorporated on their surfaces by simple chemical and heat treatments.

    Science.gov (United States)

    Fukuda, A; Takemoto, M; Saito, T; Fujibayashi, S; Neo, M; Yamaguchi, S; Kizuki, T; Matsushita, T; Niinomi, M; Kokubo, T; Nakamura, T

    2011-03-01

    Ti15Zr4Nb4Ta and Ti29Nb13Ta4.6Zr, which do not contain the potentially cytotoxic elements V and Al, represent a new generation of alloys with improved corrosion resistance, mechanical properties, and cytocompatibility. Recently it has become possible for the apatite forming ability of these alloys to be ascertained by treatment with alkali, CaCl2, heat, and water (ACaHW). In order to confirm the actual in vivo bioactivity of commercially pure titanium (cp-Ti) and these alloys after subjecting them to ACaHW treatment at different temperatures, the bone bonding strength of implants made from these materials was evaluated. The failure load between implant and bone was measured for treated and untreated plates at 4, 8, 16, and 26 weeks after implantation in rabbit tibia. The untreated implants showed almost no bonding, whereas all treated implants showed successful bonding by 4 weeks, and the failure load subsequently increased with time. This suggests that a simple and economical ACaHW treatment could successfully be used to impart bone bonding bioactivity to Ti metal and Ti-Zr-Nb-Ta alloys in vivo. In particular, implants heat treated at 700 °C exhibited significantly greater bone bonding strength, as well as augmented in vitro apatite formation, in comparison with those treated at 600 °C. Thus, with this improved bioactive treatment process these advantageous Ti-Zr-Nb-Ta alloys can serve as useful candidates for orthopedic devices. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  14. 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.

  15. 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.

  16. Effect of ternary alloying elements on the shape memory behavior of Ti-Ta alloys

    International Nuclear Information System (INIS)

    Buenconsejo, Pio John S.; Kim, Hee Young; Miyazaki, Shuichi

    2009-01-01

    The effect of ternary alloying elements (X = V, Cr, Fe, Zr, Hf, Mo, Sn, Al) on the shape memory behavior of Ti-30Ta-X alloys was investigated. All the alloying elements decreased the martensitic transformation temperatures. The decrease in the martensitic transformation start (M s ) temperature due to alloying was affected by the atomic size and number of valence electrons of the alloying element. A larger number of valence electrons and a smaller atomic radius of an alloying element decreased the M s more strongly. The effect of the alloying elements on suppressing the aging effect on the shape memory behavior was also investigated. It was found that the additions of Sn and Al to Ti-Ta were effective in suppressing the effect of aging on the shape memory behavior, since they strongly suppress the formation of ω phase during aging treatment. For this reason the Ti-30Ta-1Al and Ti-30Ta-1Sn alloys exhibited a stable high-temperature shape memory effect during thermal cycling.

  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. Formation and Applications of Bulk Glassy Alloys in Late Transition Metal Base System

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Shen Baolong

    2006-01-01

    This paper reviews our recent results of the formation, fundamental properties, workability and applications of late transition metal (LTM) base bulk glassy alloys (BGAs) developed since 1995. The BGAs were obtained in Fe-(Al,Ga)-(P,C,B,Si), Fe-(Cr,Mo)-(C,B), Fe-(Zr,Hf,Nb,Ta)-B, Fe-Ln-B(Ln=lanthanide metal), Fe-B-Si-Nb and Fe-Nd-Al for Fe-based alloys, Co-(Ta,Mo)-B and Co-B-Si-Nb for Co-based alloys, Ni-Nb-(Ti,Zr)-(Co,Ni) for Ni-based alloys, and Cu-Ti-(Zr,Hf), Cu-Al-(Zr,Hf), Cu-Ti-(Zr,Hf)-(Ni,Co) and Cu-Al-(Zr,Hf)-(Ag,Pd) for Cu-based alloys. These BGAs exhibit useful properties of high mechanical strength, large elastic elongation and high corrosion resistance. In addition, Fe- and Co-based glassy alloys have good soft magnetic properties which cannot be obtained for amorphous and crystalline type magnetic alloys. The Fe- and Ni-based BGAs have already been used in some application fields. These LTM base BGAs are promising as new metallic engineering materials

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. Effect of aluminum on the microstructure and properties of two refractory high-entropy alloys

    International Nuclear Information System (INIS)

    Senkov, O.N.; Senkova, S.V.; Woodward, C.

    2014-01-01

    The microstructure, phase composition and mechanical properties of the AlMo 0.5 NbTa 0.5 TiZr and Al 0.4 Hf 0.6 NbTaTiZr high-entropy alloys are reported. The AlMo 0.5 NbTa 0.5 TiZr alloy consists of two body-centered cubic (bcc) phases with very close lattice parameters, a 1 = 326.8 pm and a 2 = 332.4 pm. One phase was enriched with Mo, Nb and Ta and another phase was enriched with Al and Zr. The phases formed nano-lamellae modulated structure inside equiaxed grains. The alloy had a density of ρ = 7.40 g cm −3 and Vickers hardness H v = 5.8 GPa. Its yield strength was 2000 MPa at 298 K and 745 MPa at 1273 K. The Al 0.4 Hf 0.6 NbTaTiZr had a single-phase bcc structure, with the lattice parameter a = 336.7 pm. This alloy had a density ρ = 9.05 g cm −3 , Vickers microhardness H v = 4.9 GPa, and its yield strength at 298 K and 1273 K was 1841 MPa and 298 MPa, respectively. The properties of these Al-containing alloys were compared with the properties of the parent CrMo 0.5 NbTa 0.5 TiZr and HfNbTaTiZr alloys and the beneficial effects from the Al additions on the microstructure and properties were outlined. A thermodynamic calculation of the solidification and equilibrium phase diagrams was conducted for these alloys and the calculated results were compared with the experimental data

  4. Perpendicular magnetic anisotropy of CoFeB\\Ta bilayers on ALD HfO2

    Directory of Open Access Journals (Sweden)

    Bart F. Vermeulen

    2017-05-01

    Full Text Available Perpendicular magnetic anisotropy (PMA is an essential condition for CoFe thin films used in magnetic random access memories. Until recently, interfacial PMA was mainly known to occur in materials stacks with MgO\\CoFe(B interfaces or using an adjacent crystalline heavy metal film. Here, PMA is reported in a CoFeB\\Ta bilayer deposited on amorphous high-κ dielectric (relative permittivity κ=20 HfO2, grown by atomic layer deposition (ALD. PMA with interfacial anisotropy energy Ki up to 0.49 mJ/m2 appears after annealing the stacks between 200°C and 350°C, as shown with vibrating sample magnetometry. Transmission electron microscopy shows that the decrease of PMA starting from 350°C coincides with the onset of interdiffusion in the materials. High-κ dielectrics are potential enablers for giant voltage control of magnetic anisotropy (VCMA. The absence of VCMA in these experiments is ascribed to a 0.6 nm thick magnetic dead layer between HfO2 and CoFeB. The results show PMA can be easily obtained on ALD high-κ dielectrics.

  5. 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.

  6. Microstructure, surface characterization and long-term stability of new quaternary Ti-Zr-Ta-Ag alloy for implant use.

    Science.gov (United States)

    Vasilescu, C; Osiceanu, P; Moreno, J M Calderon; Drob, S I; Preda, S; Popa, M; Dan, I; Marcu, M; Prodana, M; Popovici, I A; Ionita, D; Vasilescu, E

    2017-02-01

    The novel Ti-20Zr-5Ta-2Ag alloy was characterised concerning its microstructure, morphology, mechanical properties, its passive film composition and thickness, its long-term electrochemical stability, corrosion resistance, ion release rate in Ringer solution of acid, neutral and alkaline pH values and antibacterial activity. The new alloy has a crystalline α microstructure (by XRD). Long-term XPS and SEM analyses show the thickening of the passive film and the deposition of hydroxyapatite in neutral and alkaline Ringer solution. The values of the electrochemical parameters confirm the over time stability of the new alloy passive film. All corrosion parameters have very favourable values in time which attest a high resistance to corrosion. Impedance spectra evinced a bi-layered passive film formed by the barrier, insulating layer and the porous layer. The monitoring of the open circuit potentials indicated the stability of the protective layers and their thickening in time. The new alloy releases (by ICP-MS measurements) very low quantities of Ti, Zr, Ag ions and no Ta ions. The new alloy exhibits a low antibacterial activity. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Low-cost, high-strength Fe--Ni--Cr alloys for high temperature exhaust valve application

    Science.gov (United States)

    Muralidharan, Govindarajan

    2017-09-05

    An Fe--Ni--Cr alloy is composed essentially of, in terms of wt. %: 2.4 to 3.7 Al, up to 1.05 Co, 14.8 to 15.9 Cr, 25 to 36 Fe, up to 1.2 Hf, up to 4 Mn, up to 0.6 Mo, up to 2.2 Nb, up to 1.05 Ta, 1.9 to 3.6 Ti, up to 0.08 W, up to 0.03 Zr, 0.18 to 0.27 C, up to 0.0015 N, balance Ni, wherein, in terms of atomic percent: 8.5.ltoreq.Al+Ti+Zr+Hf+Ta.ltoreq.11.5, 0.53.ltoreq.Al/(Al+Ti+Zr+Hf+Ta).ltoreq.0.65, and 0.16.ltoreq.Cr/(Fe+Ni+Cr+Mn).ltoreq.0.21, the alloy being essentially free of Cu, Si, and V.

  8. 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.

  9. 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)

  10. SEMICONDUCTOR TECHNOLOGY: TaN wet etch for application in dual-metal-gate integration technology

    Science.gov (United States)

    Yongliang, Li; Qiuxia, Xu

    2009-12-01

    Wet-etch etchants and the TaN film method for dual-metal-gate integration are investigated. Both HF/HN O3/H2O and NH4OH/H2O2 solutions can etch TaN effectively, but poor selectivity to the gate dielectric for the HF/HNO3/H2O solution due to HF being included in HF/HNO3/H2O, and the fact that TaN is difficult to etch in the NH4OH/H2O2 solution at the first stage due to the thin TaOxNy layer on the TaN surface, mean that they are difficult to individually apply to dual-metal-gate integration. A two-step wet etching strategy using the HF/HNO3/H2O solution first and the NH4OH/H2O2 solution later can fully remove thin TaN film with a photo-resist mask and has high selectivity to the HfSiON dielectric film underneath. High-k dielectric film surfaces are smooth after wet etching of the TaN metal gate and MOSCAPs show well-behaved C-V and Jg-Vg characteristics, which all prove that the wet etching of TaN has little impact on electrical performance and can be applied to dual-metal-gate integration technology for removing the first TaN metal gate in the PMOS region.

  11. The nuclear quadrupole interaction of {sup 181}Ta in the intermetallic compound Hf{sub 2}Rh

    Energy Technology Data Exchange (ETDEWEB)

    Ivanovic, N.; Koicki, S.; Cekic, B.; Manasijevic, M.; Koteski, V.; Marjanovic, D. [Institute of Nuclear Sciences VINCA, Laboratory for Nuclear and Plasma Physics, PO Box 522, Belgrade (Yugoslavia)

    1999-01-11

    The time differential perturbed angular correlation technique has been used to measure the electric field gradient at {sup 181}Ta impurities in the intermetallic compound Hf{sub 2}Rh. The results of the measurements show the presence of two independent quadrupole interactions. At room temperature the interaction frequencies are {omega}{sub Q1} = 58 Mrad s{sup -1} and {omega}{sub Q2} = 239 Mrad s{sup -1}. The electric field gradient V{sub 22}, the corresponding asymmetry parameter {eta} and the distribution parameter {delta} exhibit a pronounced temperature dependence from 78 to 1223 K. (author)

  12. 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.)

  13. Phase Composition of a CrMo0.5NbTa0.5TiZr High Entropy Alloy: Comparison of Experimental and Simulated Data

    Directory of Open Access Journals (Sweden)

    Fan Zhang

    2013-09-01

    Full Text Available Microstructure and phase composition of a CrMo0.5NbTa0.5TiZr high entropy alloy were studied in the as-solidified and heat treated conditions. In the as-solidified condition, the alloy consisted of two disordered BCC phases and an ordered cubic Laves phase. The BCC1 phase solidified in the form of dendrites enriched with Mo, Ta and Nb, and its volume fraction was 42%. The BCC2 and Laves phases solidified by the eutectic-type reaction, and their volume fractions were 27% and 31%, respectively. The BCC2 phase was enriched with Ti and Zr and the Laves phase was heavily enriched with Cr. After hot isostatic pressing at 1450 °C for 3 h, the BCC1 dendrites coagulated into round-shaped particles and their volume fraction increased to 67%. The volume fractions of the BCC2 and Laves phases decreased to 16% and 17%, respectively. After subsequent annealing at 1000 °C for 100 h, submicron-sized Laves particles precipitated inside the BCC1 phase, and the alloy consisted of 52% BCC1, 16% BCC2 and 32% Laves phases. Solidification and phase equilibrium simulations were conducted for the CrMo0.5NbTa0.5TiZr alloy using a thermodynamic database developed by CompuTherm LLC. Some discrepancies were found between the calculated and experimental results and the reasons for these discrepancies were discussed.

  14. 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...

  15. Texture and superelastic behavior of cold-rolled TiNbTaZr alloy

    International Nuclear Information System (INIS)

    Wang Liqiang; Lu Weijie; Qin Jining; Zhang Fan; Zhang Di

    2008-01-01

    This work investigates the deformation texture and strain-induced α'' martensite texture of TiNbTaZr alloy during cold rolling. The alloy is rolled by 20% and 90% reductions without changing rolling direction. Textures of cold-rolled specimens are investigated by X-ray diffraction measurements. Besides {2 2 1} β β twinning texture, {1 0 0} β β texture is developed in the specimen with 20% reduction. In the 90% cold-rolled specimen, {1 0 0} β β texture appears along rolling direction and strain-induced α'' martensite texture tends to [0 1 0] and [0 0 1] directions along rolling direction (RD) and transverse direction (TD), respectively. Superelastic strain (ε SE ) exhibits higher value along RD and TD. Pure elastic strain (ε E ) shows higher value along RD and 45 deg. from RD

  16. 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.

  17. 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

  18. 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.)

  19. Electric-field gradients at Ta donor impurities in Cr{sub 2}O{sub 3}(Ta) semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Darriba, G.N. [Departamento de Fisica and IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina); Errico, L.A. [Departamento de Fisica and IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina); Universidad Nacional del Noroeste Bonaerense (UNNOBA), Monteagudo 2772, 2700 Pergamino (Argentina); Munoz, E.L; Richard, D. [Departamento de Fisica and IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina); Eversheim, P.D. [Helmholtz-Institut fuer Strahlen-und Kernphysik (H-ISKP), Universitaet Bonn, Nussallee 14-16, 53115 Bonn (Germany); Renteria, M., E-mail: renteria@fisica.unlp.edu.a [Departamento de Fisica and IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina)

    2009-10-01

    We report perturbed-angular-correlation (PAC) experiments on {sup 181}Hf(->{sup 181}Ta)-implanted corundum Cr{sub 2}O{sub 3} powder samples in order to determine the magnitude and symmetry of the electric-field gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbitals (FP-APW+lo) calculations. The results are also compared with EFG results coming from PAC experiments in isomorphous alpha-Al{sub 2}O{sub 3} and alpha-Fe{sub 2}O{sub 3} doped with {sup 111}In->{sup 111}Cd and {sup 181}Hf->{sup 181}Ta tracers. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

  20. Comparative study of structure formation and mechanical behavior of age-hardened Ti–Nb–Zr and Ti–Nb–Ta shape memory alloys

    Energy Technology Data Exchange (ETDEWEB)

    Inaekyan, K. [Ecole de Technologie Superieure, 1100, Notre-Dame Str. West, Montreal Quebec H3C 1K3 (Canada); Brailovski, V., E-mail: vladimir.brailovski@etsmtl.ca [Ecole de Technologie Superieure, 1100, Notre-Dame Str. West, Montreal Quebec H3C 1K3 (Canada); Prokoshkin, S. [National University of Science and Technology “MISIS”, Leninskiy prosp. 4, Moscow 119049 (Russian Federation); Pushin, V. [Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, 18, S. Kovalevskoy Str., Ekaterinburg 620199 (Russian Federation); Dubinskiy, S.; Sheremetyev, V. [Ecole de Technologie Superieure, 1100, Notre-Dame Str. West, Montreal Quebec H3C 1K3 (Canada); National University of Science and Technology “MISIS”, Leninskiy prosp. 4, Moscow 119049 (Russian Federation)

    2015-05-15

    This work sets out to study the peculiar effects of aging treatment on the structure and mechanical behavior of cold-rolled and annealed biomedical Ti–21.8Nb–6.0Zr (TNZ) and Ti–19.7Nb–5.8Ta (TNT) (at.%) shape memory alloys by means of transmission electron microscopy, X-ray diffractometry, functional fatigue and thermomechanical testing techniques. Dissimilar effects of aging treatment on the mechanical behavior of Zr- and Ta-doped alloys are explained by the differences in the ω-phase formation rate, precipitate size, fraction and distribution, and by their effect on the alloys' critical stresses and transformation temperatures. Even short-time aging of the TNZ alloy leads to its drastic embrittlement caused by “overaging”. On the contrary, during aging of the TNT alloy, formation of finely dispersed ω-phase precipitates is gradual and controllable, which makes it possible to finely adjust the TNT alloy functional properties using precipitation hardening mechanisms. To create in this alloy nanosubgrained dislocation substructure containing highly-dispersed coherent nanosized ω-phase precipitates, the following optimum thermomechanical treatment is recommended: cold rolling (true strain 0.37), followed by post-deformation annealing (600 °C, 15–30 min) and age-hardening (300 °C, 30 min) thermal treatments. It is shown that in TNT alloy, pre-transition diffraction effects (diffuse reflections) can “mask” the β-phase substructure and morphology of secondary phases. - Highlights: • TNZ alloy is characterized by much higher ω-phase precipitation rate than TNT alloy. • Difference in precipitation rates is linked to the difference in Zr and Ta diffusion mobility. • Aging of nanosubgrained TNZ alloy worsens its properties irrespective of the aging time. • Aging time of nanosubgrained TNT alloy can be optimized to improve its properties.

  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. Perturbed angular correlation study of {sup 181}Ta-doped PbTi{sub 1-x}Hf{sub x}O{sub 3} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, R.E., E-mail: alonso@fisica.unlp.edu.ar [Instituto de Fisica La Plata, CONICET (Argentina); Facultad de Ingenieria, Universidad Nacional de La Plata, CC-67, CP 1900 La Plata (Argentina); Lopez Garcia, A.R. [Instituto de Fisica La Plata, CONICET (Argentina); Rubia, M.A. de la [Departamento de Electroceramica, Instituto de Ceramica y Vidrio (CSIC), Kelsen 5, 28040 Madrid (Spain); Departamento de Fisica Aplicada a las Tecnologias de la Informacion, ETSI Telecomunicacion (UPM), Ciudad Universitaria s/n 28040 Madrid (Spain); De Frutos, J. [Departamento de Fisica Aplicada a las Tecnologias de la Informacion, ETSI Telecomunicacion (UPM), Ciudad Universitaria s/n 28040 Madrid (Spain)

    2012-07-01

    In this work, the hyperfine quadrupole interaction at Ta-doped PbTi{sub 1-x}Hf{sub x}O{sub 3} polycrystalline samples is studied for the first time. Powders with x=0.25, 0.50 and 0.75 were prepared and characterized by X-ray diffraction analysis. Perturbed Angular Correlation (PAC) analyses were done as a function of temperature, using low concentration {sup 181}Ta nuclei as probes. In the ferroelectric and paraelectric phases of these compounds two sites were occupied by the probes. For each site the quadrupole frequency, asymmetry and relative distribution width parameters were obtained as a function of temperature above and below the Curie temperature (T{sub C}). One of these sites was assigned to the regular Ti-Hf site, while the other one was assigned to some kind of defect. The behavior of the hyperfine parameters as a function of temperature was analyzed in terms of a recent published phase diagram and the presence of disorder below and above T{sub C}. For the three compositions measured, the obtained hyperfine parameters present discontinuities which correspond to the ferroelectric-paraelectric phase transition. In both phases it was found broad frequency distributed interactions. The disorder in the electronic distribution would be responsible for the broad line width of the hyperfine interaction.

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

    OpenAIRE

    Fan Zhang; Oleg N. Senkov; Jonathan D. Miller

    2013-01-01

    Microstructure and phase composition of a CrMo0.5NbTa0.5TiZr high entropy alloy were studied in the as-solidified and heat treated conditions. In the as-solidified condition, the alloy consisted of two disordered BCC phases and an ordered cubic Laves phase. The BCC1 phase solidified in the form of dendrites enriched with Mo, Ta and Nb, and its volume fraction was 42%. The BCC2 and Laves phases solidified by the eutectic-type reaction, and their volume fractions were 27% and 31%, respectively....

  4. 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

  5. Stress effect on the critical current of Ti-Nb-Zr-Ta multifilamentary superconductors

    International Nuclear Information System (INIS)

    Monju, Yoshiyuki; Tatara, Isamu

    1978-01-01

    The tensile behaviour at R.T., 77K, 4.2K and the degradation of the critical current with stress have been measured on multifilamentary Ti-Nb-Zr-Ta alloy superconductors. The assembly of the stress effect apparatus is as follows; At the center of the 60KOe superconducting solenoid coil, sample wire is hold around an FRP spool and the wire ends are gripped to the load train. Current is supplied through helium vapourcooled flexible leads up to 2000 A. It was clear that a definite degradation of the critical current with stress was not observed up to the stress equal to one third of the fracture stress at 4.2K. This stress value should be defined the maximum allowable stress of alloy superconductors examined from stress effects. (author)

  6. 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.)

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

    Science.gov (United States)

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

    2010-07-13

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

  8. In vitro bio-functional performances of the novel superelastic beta-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy.

    Science.gov (United States)

    Ion, Raluca; Gordin, Doina-Margareta; Mitran, Valentina; Osiceanu, Petre; Dinescu, Sorina; Gloriant, Thierry; Cimpean, Anisoara

    2014-02-01

    The materials used for internal fracture fixations and joint replacements are mainly made of metals which still face problems ranging from higher rigidity than that of natural bone to leaching cytotoxic metallic ions. Beta (β)-type titanium alloys with low elastic modulus made from non-toxic and non-allergenic elements are desirable to reduce stress shielding effect and enhance bone remodeling. In this work, a new β-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy with a Young's modulus of approximately 50 GPa was designed and characterized. The behavior of MC3T3-E1 pre-osteoblasts on the new alloy, including adhesion, proliferation and differentiation, was evaluated by examining the cytoskeleton, focal adhesion formation, metabolic activity and extracellular matrix mineralization. Results indicated that the pre-osteoblast cells exhibited a similar degree of attachment and growth on Ti-23Nb-0.7Ta-2Zr-0.5N and Ti-6Al-4V. However, the novel alloy proved to be significantly more efficient in sustaining mineralized matrix deposition upon osteogenic induction of the cells than Ti-6Al-4V control. Further, the analysis of RAW 264.7 macrophages cytokine gene and protein expression indicated no significant inflammatory response. Collectively, these findings suggest that the Ti-23Nb-0.7Ta-2Zr-0.5N alloy, which has an increased mechanical biocompatibility with bone, allows a better osteogenic differentiation of osteoblast precursor cells than Ti-6Al-4V and holds great potential for future clinical prosthetic applications. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. A note on chemical composition and origin of ferromanganese oxide coated and uncoated pumice samples from central Indian Ocean basin

    Digital Repository Service at National Institute of Oceanography (India)

    Pattan, J.N.; Parthiban, G.; Moraes, C.; Rajalakshmi, R.; Lekshmi, S.; Athira, S.; JaiSankar, S.

    other suggesting a same source. Tectonomagmatic discrimination diagrams (Nb vs Y: Yb vs. Ta), triangular plot (TiO2-Y) and High Field Strength Element ratios (La/Ta-25; Ta/Hf-0.2; Nb/Ta-9; Zr/Nb-22 and Ba/Ta-1084) indicate volcanic arc origin...

  10. Electrical properties and phase transition of Ba(Zr{sub 0.05}Ti{sub 0.95}){sub 1−x}(Fe{sub 0.5}Ta{sub 0.5}){sub x}O{sub 3} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kruea-In, C. [Faculty of Science and Technology, Chiang Mai Rajabhat University (Thailand); Rujijanagul, G., E-mail: rujijanagul@yahoo.com [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University (Thailand)

    2015-09-15

    Highlights: • Properties of of Ba(Zr{sub 0.05}Ti{sub 0.95}){sub 1−x}(Fe{sub 0.5}Ta{sub 0.5}){sub x}O{sub 3} ceramics were investigated. • Small amount of dopant produced a large change in dielectric and phase transition. • A phase diagram of Ba(Zr{sub 0.05}Ti{sub 0.95}){sub 1−x}(Fe{sub 0.5}Ta{sub 0.5}){sub x}O{sub 3} ceramics was proposed. • Dielectric tunability increased with increasing x concentration. - Abstract: In this work, properties of Ba(Zr{sub 0.05}Ti{sub 0.95}){sub 1−x}(Fe{sub 0.5}Ta{sub 0.5}){sub x}O{sub 3} ceramics with 0.00≤ x ≤0.07 were investigated. The ceramics were fabricated by a solid state reaction technique. X-ray diffraction analysis indicated that all samples exhibited single phase perovskite. Examination of the dielectric spectra revealed that the Fe and Ta additives promoted a diffuse phase transition, and the two phase transition temperatures, as observed in the dielectric curve of pure Ba(Zr{sub 0.05}Ti{sub 0.95})O{sub 3}, merged into a single phase transition temperature for higher x concentrations. The transformation was confirmed by ferroelectric measurements. In addition, the doped ceramics exhibited high relative dielectric tunability, especially for higher x concentration samples.

  11. Lowered operation voltage in Pt/SBi2Ta2O9/HfO2/Si ferroelectric-gate field-effect transistors by oxynitriding Si

    International Nuclear Information System (INIS)

    Horiuchi, Takeshi; Takahashi, Mitsue; Li, Qiu-Hong; Wang, Shouyu; Sakai, Shigeki

    2010-01-01

    Oxynitrided Si (SiON) surfaces show smaller subthreshold swings than do directly nitrided Si (SiN) surfaces when used in ferroelectric-gate field-effect transistors (FeFETs) having the following stacked-gate structure: Pt/SrBi 2 Ta 2 O 9 (SBT)/HfO 2 /Si. SiON/Si substrates for FeFETs were prepared by rapid thermal oxidation (RTO) in O 2 at 1000 °C and subsequent rapid thermal nitridation (RTN) in NH 3 at various temperatures in the range 950–1150 °C. The electrical properties of the Pt/SBT/HfO 2 /SiON/Si FeFET were compared with those of reference FETs, i.e. Pt/SBT/HfO 2 gate stacks formed on Si substrates subjected to various treatments: SiN x /Si formed by RTN, SiO 2 /Si formed by RTO and untreated Si. The Pt/SBT/HfO 2 /SiON/Si FeFET had a larger memory window than all the other reference FeFETs, particularly at low operation voltages when the RTN temperature was 1050 °C

  12. 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

  13. Collapse of ferromagnetism in itinerant-electron system: A magnetic, transport properties, and high pressure study of (Hf,Ta)Fe2 compounds

    Science.gov (United States)

    Diop, L. V. B.; Kastil, J.; Isnard, O.; Arnold, Z.; Kamarad, J.

    2014-10-01

    The magnetism and transport properties were studied for Laves (Hf,Ta)Fe2 itinerant-electron compounds, which exhibit a temperature-induced first-order transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state upon heating. At finite temperatures, the field-induced metamagnetic phase transition between the AFM and FM has considerable effects on the transport properties of these model metamagnetic compounds. A large negative magnetoresistance of about 14% is observed in accordance with the metamagnetic transition. The magnetic phase diagram is determined for the Laves Hf1-xTaxFe2 series and its Ta concentration dependence discussed. An unusual behavior is revealed in the paramagnetic state of intermediate compositions, it gives rise to the rapid increase and saturation of the local spin fluctuations of the 3d electrons. This new result is analysed in the frame of the theory of Moriya. For a chosen composition Hf0.825Ta0.175Fe2, exhibiting such remarkable features, a detailed investigation is carried out under hydrostatic pressure up to 1 GPa in order to investigate the volume effect on the magnetic properties. With increasing pressure, the magnetic transition temperature TFM-AFM from ferromagnetic to antiferromagnetic order decreases strongly non-linearly and disappears at a critical pressure of 0.75 GPa. In the pressure-induced AFM state, the field-induced first-order AFM-FM transition appears and the complex temperature dependence of the AFM-FM transition field is explained by the contribution from both the magnetic and elastic energies caused by the significant temperature variation of the amplitude of the local Fe magnetic moment. The application of an external pressure leads also to the progressive decrease of the Néel temperature TN. In addition, a large pressure effect on the spontaneous magnetization MS for pressures below 0.45 GPa, dln(Ms)/dP = -6.3 × 10-2 GPa-1 was discovered. The presented results are consistent with Moriya

  14. Some properties of low-vapor-pressure braze alloys for thermionic converters

    Science.gov (United States)

    Bair, V. L.

    1978-01-01

    Density, dc electrical resistivity, thermal conductivity, and linear thermal expansion are measured for arc-melted rod-shaped samples of binary eutectics of Zr, Hf, Ru, Nb, Ir, Mo, Ta, Os, Re, and W selected as very-low-pressure braze fillers for thermionic converters. The first two properties are measured at 296 K for Zr-21.7 at% Ru, Zr-13 wt% W, Zr-19 wt% W, Zr-22.3 at% Nb, Nb-66.9 at% Ru, Hf-25.3 wt% Re, Zr-25.7 at% Ta, Hf-22.5 at% W, and Nb-35 wt% Mo. The last property is measured from 293 K to 2/3 melting point for specified alloys of different compositions. Resistivities of 0.000055 to 0.000181 ohm-cm are observed with the alloys having resistivities about ten times that of the less resistive constituent metal and about three times that of the more resistive constituent metal, except for Zr-19 wt% W and Nb-35 wt% Mo (greater resistivities). Thermal expansion coefficients vary from 0.000006 to 0.0000105/K. All brazes exhibit linear thermal expansion near that of their constituent metals.

  15. Characterization and corrosion resistance of anodic electrodeposited titanium oxide/phosphate films on Ti-20Nb-10Zr-5Ta bioalloy

    Energy Technology Data Exchange (ETDEWEB)

    Popa, Monica; Vasilescu, Cora; Drob, Silviu I.; Osiceanu, Petre; Anastasescu, Mihai; Calderon-Moreno, Jose M., E-mail: josecalderonmoreno@yahoo.com [Institute of Physical Chemistry ' Ilie Murgulescu' of the Romanian Academy, Bucharest (Romania)

    2013-07-15

    In this work, the anodic galvanostatic electrodeposition of an oxidation film containing phosphates on Ti-20Nb-10Zr-5Ta alloy from orthophosphoric acid solution is presented. Its composition was determined by X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and Raman micro-spectroscopy, and its topography by atomic force microscopy (AFM). The corrosion resistance of the coated alloy in simulated human fluid (by linear polarization method and monitoring of open circuit potentials, corresponding open circuit potential gradients) as well as the characterization of the coating (by Raman spectroscopy and depth profile X-ray photoelectron spectroscopy (XPS)) deposited in a period of 300 h soaking in simulated human body fluid were studied. The electrodeposited film was composed of amorphous titanium dioxide and contained phosphate groups. The corrosion resistance of the coated Ti-20Nb-10Zr-5Ta alloy in neutral and alkaline Ringer's solutions was higher than that of the bare alloy due to the protective properties of the electrodeposited film. The corrosion parameters improved over time as result of the thickening of the surface film by the deposition from the physiological solution. The deposited coating presented a variable composition in depth: at the deeper layer nucleated nanocrystalline hydroxyapatite and at the outer layer amorphous calcium phosphate. (author)

  16. Characterization and corrosion resistance of anodic electrodeposited titanium oxide/phosphate films on Ti-20Nb-10Zr-5Ta bioalloy

    International Nuclear Information System (INIS)

    Popa, Monica; Vasilescu, Cora; Drob, Silviu I.; Osiceanu, Petre; Anastasescu, Mihai; Calderon-Moreno, Jose M.

    2013-01-01

    In this work, the anodic galvanostatic electrodeposition of an oxidation film containing phosphates on Ti-20Nb-10Zr-5Ta alloy from orthophosphoric acid solution is presented. Its composition was determined by X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and Raman micro-spectroscopy, and its topography by atomic force microscopy (AFM). The corrosion resistance of the coated alloy in simulated human fluid (by linear polarization method and monitoring of open circuit potentials, corresponding open circuit potential gradients) as well as the characterization of the coating (by Raman spectroscopy and depth profile X-ray photoelectron spectroscopy (XPS)) deposited in a period of 300 h soaking in simulated human body fluid were studied. The electrodeposited film was composed of amorphous titanium dioxide and contained phosphate groups. The corrosion resistance of the coated Ti-20Nb-10Zr-5Ta alloy in neutral and alkaline Ringer's solutions was higher than that of the bare alloy due to the protective properties of the electrodeposited film. The corrosion parameters improved over time as result of the thickening of the surface film by the deposition from the physiological solution. The deposited coating presented a variable composition in depth: at the deeper layer nucleated nanocrystalline hydroxyapatite and at the outer layer amorphous calcium phosphate. (author)

  17. Fundamental Thermal and Mechanical Properties of Boride Ceramics

    Science.gov (United States)

    2014-02-28

    Zr ,Y)B2 ( Zr ,Hf)B2 ( Zr ,Ti)B2 ZrB2 El ec tri ca l R es is tiv ity (µ Ω -c m ) Temperature (°C) Figure 17. Electrical resistivity as a function...family as Zr , namely Ti and Hf, had minimal effect on thermal conductivity, while others such as Nb , Ta, and W had an increasing impact based on their...diffusivity (α), heat capacity (Cp) from the NIST-JANAF tables, and bulk density (ρ) using Equation 6. (5) (6) Electrical resistivity

  18. 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)

  19. TaxHf1−xB2–SiC multiphase oxidation protective coating for SiC-coated carbon/carbon composites

    International Nuclear Information System (INIS)

    Ren, Xuanru; Li, Hejun; Fu, Qiangang; Li, Kezhi

    2014-01-01

    Highlights: • Ta x Hf 1−x B 2 –SiC coating was prepared on SiC coated C/C by in-situ reaction method. • TaB 2 and HfB 2 were introduced in the form of solid solution Ta x Hf 1−x B 2 . • The coating could protect C/C for 1480 h with only 0.57% mass loss at 1773 K in air. • Oxidation layer consists of out Ta–Si–O compound layer and inner SiO 2 glass layer. • Ta–Si–O compound silicate layer presents a better stability than SiO 2 glass layer. - Abstract: A Ta x Hf 1−x B 2 –SiC coating was prepared by in-situ reaction method on SiC coated C/C composites. Ta x Hf 1−x B 2 phase is the form of solid solution between TaB 2 and HfB 2 . Isothermal oxidation behavior at 1773 K and ablation behavior of the coated C/C were tested. Ta x Hf 1−x B 2 –SiC/SiC coating could protect the C/C from oxidation at 1773 K for 1480 h and ablation above 2200 K for 40 s. During oxidation, oxides of Ta and Hf atoms exist as “pinning phases” in the compound glass layer consisted of outer Ta–Si–O compound silicate layer and inner SiO 2 glass layer, which was responsible for the excellent oxidation resistance

  20. Electrochemical Stability of Li6.5La3Zr1.5M0.5O12 (M = Nb or Ta) against Metallic Lithium

    International Nuclear Information System (INIS)

    Kim, Yunsung; Yoo, Aeri; Schmidt, Robert; Sharafi, Asma; Lee, Heechul; Wolfenstine, Jeff; Sakamoto, Jeff

    2016-01-01

    The electrochemical stability of Li 6.5 La 3 Zr 1.5 Nb 0.5 O 12 (LLZNO) and Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 (LLZTO) against metallic Li was studied using direct current (DC) and electrochemical impedance spectroscopy (EIS). Dense polycrystalline LLZNO (ρ = 97%) and LLZTO (ρ = 92%) were made using sol–gel synthesis and rapid induction hot-pressing at 1100°C and 15.8 MPa. During DC cycling tests at room temperature (± 0.01 mA/cm 2 for 36 cycles), LLZNO exhibited an increase in Li–LLZNO interface resistance and eventually short-circuiting while the LLZTO was stable. After DC cycling, LLZNO appeared severely discolored while the LLZTO did not change in appearance. We believe the increase in Li–LLZNO interfacial resistance and discoloration are due to reduction of Nb 5+ to Nb 4+ . The negligible change in interfacial resistance and no color change in LLZTO suggest that Ta 5+ may be more stable against reduction than Nb 5+ in cubic garnet versus Li during cycling.

  1. 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

  2. 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)

  3. 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".

  4. A Comparative Study on Corrosion Behavior of Ti-35Nb-5Ta-7Zr Ti-6Al-4V and CP-Ti in 0.9 wt% NaCl

    Energy Technology Data Exchange (ETDEWEB)

    Saji, Viswanathan S.; Jeong, Yong Hoon; Choe, Han Cheol [Andong National University, Andong (Korea, Republic of)

    2009-08-15

    Recently, quaternary titanium alloys of the system Ti-Nb-Ta-Zr received considerable research considerable research interest as potential implant materials because of their excellent mechanical properties and biocompatibility. However, only few reported works were available on the corrosion behavior of such alloys. Hence, in the present work, electrochemical corrosion of Ti-35Nb-5Ta-7Zr alloy, which has been fabricated by are melting and heat treatment, was studied in 0.9 wt% NaCl at 37{+-}1 .deg. C, along with biomedical grade Ti-6Al-4V and CP-Ti. The phase and microstructure of the alloys were investigated employing XRD and SEM. The results of electrochemical studies indicated that the corrosion resistance of the quaternary alloy was inferior to that of Ti-6Al-4V and CP Ti.

  5. Helium implanted AlHf as studied by 181 Ta TDPAC

    Indian Academy of Sciences (India)

    Measurements on helium implanted sample indicate the binding of helium associated defects by Hf solute clusters. Isochronal annealing measurements indicate the dissociation of the helium implantation induced defects from Hf solute clusters for annealing treatments beyond 650 K. On comparison of the present results ...

  6. 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.

  7. 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.

  8. 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)

  9. Extreme trace elements fractionation in Cenozoic nephelinites and phonolites from the Moroccan Anti-Atlas (Eastern Saghro)

    Science.gov (United States)

    Berger, Julien; Ennih, Nasser; Liégeois, Jean-Paul

    2014-12-01

    Nephelinites and phonolites from the Moroccan Anti-Atlas form a cogenetic series of volcanic rocks linked by a fractional crystallization process and showing continuous evolutionary trends for trace-elements. According to partial melting calculations, minor element data in olivine and review of published experimental studies, the most primitive nephelinites are low degree (~ 2%) partial melts from a carbonated LREE-rich spinel lherzolite. Sr-Nd-Pb isotopic compositions indicate the participation of both DM and HIMU end-members in the mantle source of nephelinites; the HIMU component is here interpreted as a relic of the shallow metasomatized Pan-African mantle. The phonolites show similar isotopic composition except for slightly more radiogenic Sr isotopic values. Fractional crystallization calculations were performed using trace-element mineral/bulk rock coefficients determined with new LA-ICP-MS data on minerals together with published equilibrium partition coefficients. The decrease of LREE, Sr and Ba with increasing differentiation is explained by fractionation of large amounts of apatite. Th, Nb and Zr display a behavior of very incompatible elements, reaching extreme concentration in most differentiated phonolites. Ta, Hf and MREE by contrast are characterized by a moderately incompatible to compatible behavior during differentiation. Fractionation of small amount of titanite, in which Ta, Hf and MREE are highly compatible compared to Nb, Zr and LREE (DNb/DTa: 2, DZr/DHf: 1.5 for titanite/phonolite ratios), explains the observed increase in Nb/Ta and Zr/Hf ratios with increasing silica content, from 18 and 40 in nephelinites to 70 and 80 in phonolites, respectively. Clinopyroxene also contributed to the fractionation of Hf from Zr in the very first steps of crystallization. The low values of Nb/Ta and Zr/Hf ratios observed in the two most differentiated Si-rich phonolites are probably a consequence of late stage segregation of volatile-rich agpaitic

  10. 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

  11. Evaluation of cermet materials suitable for lithium lubricated thrust bearings for high temperature operation

    Science.gov (United States)

    Sinclair, J. H.; Hendrixson, W. H.

    1974-01-01

    Cerment materials (HfC - 10 wt% W; HfC - 10 wt% TaC - 10 wt%W; HfC - 2 wt% CbC - 8 wt% Mo;Hfn - 10 wt% W; Hfn - 10 wt% TaN - 10 wt% W; and ZrC - 17 wt% W) were evaluated for possible use as lithium-lubricated bearings in the control system of a nuclear reactor. Tests of compatibility with lithium were made in T-111 (Ta-8W-2Hf) capsules at temperatures up to 1090 C. The tendencies of HfC-TaC-W, HfC-CbC-Mo, and HfN-W to bond to themselves and to the refractory alloys T-111 and TZM when enclosed in lithium-filled capsules under a pressure of 2000 psi at 980 and 1200 C for 1933 hours were evaluated. Thermal expansion characteristics were determined for the same three materials from room temperature to 1200 C. On the basis of these tests, HfC-10 TaC-10W and HfN-10W were selected as the best and second best candidates, respectively, of the materials tested for the bearing application.

  12. 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

  13. Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples

    Science.gov (United States)

    Chen, Zhangqi; Liu, Zi-Kui; Zhao, Ji-Cheng

    2018-05-01

    Diffusion coefficients of seven binary systems (Ti-Mo, Ti-Nb, Ti-Ta, Ti-Zr, Zr-Mo, Zr-Nb, and Zr-Ta) at 1200 °C, 1000 °C, and 800 °C were experimentally determined using three Ti-Mo-Nb-Ta-Zr diffusion multiples. Electron probe microanalysis (EPMA) was performed to collect concentration profiles at the binary diffusion regions. Forward simulation analysis (FSA) was then applied to extract both impurity and interdiffusion coefficients in Ti-rich and Zr-rich part of the bcc phase. Excellent agreements between our results and most of the literature data validate the high-throughput approach combining FSA with diffusion multiples to obtain a large amount of systematic diffusion data, which will help establish the diffusion (mobility) databases for the design and development of biomedical and structural Ti alloys.

  14. 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.

  15. Study of radionuclides created by 181Ta(γ,xn yp) reactions for bremsstrahlung photons produced by 150-MeV electrons

    International Nuclear Information System (INIS)

    Miller, M.A.; Dickens, J.K.

    1991-12-01

    Ten radionuclides, including isomers, from 172 Ta to 180 Ta and 180m Hf were produced by photon interactions with a sample of elemental tantalum and measured by counting photons using a high-resolution detection system. Relative yields of these radionuclides were obtained. In addition, precision half lives were obtained for 175,176,180 Ta and 180m Hf. Those obtained for the three Ta isotopes agree with previously reported values. For 180m Hf, the present measurements resulted in a half life determination of 6.05±0.06 hr, or about 10% longer than the currently adopted value for this half life

  16. 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

  17. 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

  18. 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.

  19. Influence of annealing on structure and magnetic properties of Laves phase HfFe2

    International Nuclear Information System (INIS)

    Belosevic-Cavor, J.; Cekic, B.; Novakovic, N.; Ivanovic, N.; Manasijevic, M.

    2004-01-01

    Hyperfine fields (HFF) in a polycrystalline HfFe 2 binary compound were measured at 181 Ta probe ion sites using the time differential perturbed angular correlation (TDPAC) method. Analysis of TDPAC spectra obtained in measurements revealed two components. One of them corresponded to the magnetic perturbation with the value B hf1 (Ta) = 13.82(7) T at room temperature and it was ascribed to the interaction at the regular position of Hf in the cubic C15 (MgCu 2 -type) structure of the HfFe 2 compound. The second component with hyperfine field value of B hf2 (Ta) = 8.0(2) T is probably due to the presence of a minor amount of the hexagonal C14 (MgZn 2 -type) structure. Measurements showed that it had come to a change in the ratio of different components of TDPAC spectra with annealing, but the values for hyperfine fields for both components have not changed significantly. The origin of the hyperfine magnetic field and its difference in the two structures (C14 and C15) were discussed taking into account crystal structure effects. (orig.)

  20. Microstructural Evolution of NiCoCrAlHfYSi and NiCoCrAlTaY Coatings Deposited by AC-HVAF and APS

    Science.gov (United States)

    Han, Yujun; Chen, Hongfei; Gao, Dong; Yang, Guang; Liu, Bin; Chu, Yajie; Fan, Jinkai; Gao, Yanfeng

    2017-12-01

    The chemical composition of NiCoCrAlHfYSi with a suitable particle size, deposited using an activated combustion-high velocity air fuel (AC-HVAF) spray, is a potentially promising process because dense, continuous and pure alumina can be formed on the surface of the MCrAlY metallic coatings after isothermal oxidation exposure. The NiCoCrAlHfYSi (Amdry386) and NiCoCrAlTaY (Amdry997) coatings were produced using AC-HVAF and APS, respectively. Isothermal oxidation was subsequently conducted at 1050 °C in air for 200 h. This paper compares the characteristics of four coated samples, including the surface roughness, elastic modulus, hardness, oxide content, microstructural characteristics and phase evolution of thermally grown oxides (TGO). The growth of both the TGO and alumina scales in the TGO of the HVAF386 coating was relatively rapid. The θ- to α-alumina phase transformation was strongly determined by the Hf and Si dopants in the HVAF386 coating. Finally, the extent of grain refinement and deformation storage energy in the HVAF997 coatings were determined to be significantly crucial for the θ- to α-alumina phase transformation.

  1. Electrodeposition of Ge/C composite anode for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sang Wan; Ngo, Duc Tung; Pak, Chan Jin [Junnam National Univ., Gwangju (Korea, Republic of)

    2014-06-15

    As a result, new titanium alloys are now being studies for application as biomaterials and interesting choice is the β-type titanium alloys. In order to overcome these weakness of Ti-6Al-4V alloy, many Ti alloys consisting of non-toxic elements such as Nb, Ta, Zr, Hf, Mo and Sn, have been developed for biomedical applications. They are mostly β type alloys composed of non-toxic elements. This newly developed Ti-25Ta-xHf (x = 0, 3, 7, 10, and 15 wt.%) alloy is expected to demonstrate better biocompatibility. The purpose of this research was to investigate electrochemical characteristics of Ti-Ta alloys containing HA for biomaterials. Electrochemical characteristics of Ti-25Ta-xHf alloys were improved by Hf addition and it can be an important factor for the improvement of corrosion resistance.

  2. Transformation of Ti/sub 30/Nb/sub 30/Zr/sub 7/Ta superconducting alloy

    Energy Technology Data Exchange (ETDEWEB)

    Horiuchi, T; Monju, Y; Tatara, I; Nagi, N

    1973-10-01

    The effect of cold working on the rates of beta phase decomposition in the Ti/sub 30/Nb/sub 30/Zr/sub 7/Ta superconducting alloy was investigated. T.T.T. diagrams for the cold worked specimen were determined from the changes in electrical resistivity at liquid nitrogen temperature, Micro vickers hardness number measurement and the lattice constants determined by the x-ray powder method. Some results are as follows: (1) the alpha phase precipitation occurs by ageing at temperatures higher than 550/sup 0/C. At 550/sup 0/C, the beta phase decomposition into the alpha-beta minutes + beta seconds phase temperatures higher than 550/sup 0/C. At 550/sup 0/C, the beta phase decomposition into the alpha minutes + beta + betaseconds phase was found. (2) the rates of the alpha phase precipitation were accelerated by cold working. (3) the omega phase precipitation was found between 450 and 700/sup 0/C. 17 references.

  3. Electrodeposited ultrafine NbOx, ZrOx, and TaO x nanoparticles on carbon black supports for oxygen reduction electrocatalysts in acidic media

    KAUST Repository

    Seo, Jeongsuk

    2013-09-06

    A remarkable electrocatalytic activity was obtained for the oxygen reduction reaction (ORR) in acidic solutions on ultrafine nano-oxide catalysts based on group IV or V elements. By potentiostatic electrodepostion in nonaqueous solutions at 298 K followed by heat treatment in H2 gas, highly dispersed fine nanoparticles of NbOx, ZrOx, and TaOx with sizes of less than 5 nm were prepared and deposited on carbon black (CB) loaded electrodes. These oxide nanoparticles showed high catalytic activities with high onset potentials of 0.96 VRHE (NbOx), 1.02 VRHE (ZrOx), and 0.93 V RHE (TaOx) for the ORR. Owing to the high chemical stability of group IV and V oxides, the catalysts were very stable during the ORR in acidic solutions. Surface characterization and chemical identification were performed using scanning transmission electron microscopy (STEM), energy dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). All results clearly indicate the formation of nano-oxide electrocatalysts that show an outstanding ORR performance, whereas the bulk oxides are not active because of the absence of electronic conductivity. The present work demonstrates potential candidates for highly stable, non-noble-metal cathode catalysts for polymer electrolyte fuel cells (PEFCs), where the catalysts are exposed to highly acidic and oxidizing conditions. © 2013 American Chemical Society.

  4. Electrodeposited ultrafine NbOx, ZrOx, and TaO x nanoparticles on carbon black supports for oxygen reduction electrocatalysts in acidic media

    KAUST Repository

    Seo, Jeongsuk; Cha, Dong Kyu; Takanabe, Kazuhiro; Kubota, Jun; Domen, Kazunari

    2013-01-01

    A remarkable electrocatalytic activity was obtained for the oxygen reduction reaction (ORR) in acidic solutions on ultrafine nano-oxide catalysts based on group IV or V elements. By potentiostatic electrodepostion in nonaqueous solutions at 298 K followed by heat treatment in H2 gas, highly dispersed fine nanoparticles of NbOx, ZrOx, and TaOx with sizes of less than 5 nm were prepared and deposited on carbon black (CB) loaded electrodes. These oxide nanoparticles showed high catalytic activities with high onset potentials of 0.96 VRHE (NbOx), 1.02 VRHE (ZrOx), and 0.93 V RHE (TaOx) for the ORR. Owing to the high chemical stability of group IV and V oxides, the catalysts were very stable during the ORR in acidic solutions. Surface characterization and chemical identification were performed using scanning transmission electron microscopy (STEM), energy dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). All results clearly indicate the formation of nano-oxide electrocatalysts that show an outstanding ORR performance, whereas the bulk oxides are not active because of the absence of electronic conductivity. The present work demonstrates potential candidates for highly stable, non-noble-metal cathode catalysts for polymer electrolyte fuel cells (PEFCs), where the catalysts are exposed to highly acidic and oxidizing conditions. © 2013 American Chemical Society.

  5. Electric-field gradients at Ta donor impurities in Cr2O3(Ta) semiconductor

    International Nuclear Information System (INIS)

    Darriba, G.N.; Errico, L.A.; Munoz, E.L; Richard, D.; Eversheim, P.D.; Renteria, M.

    2009-01-01

    We report perturbed-angular-correlation (PAC) experiments on 181 Hf(→ 181 Ta)-implanted corundum Cr 2 O 3 powder samples in order to determine the magnitude and symmetry of the electric-field gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbitals (FP-APW+lo) calculations. The results are also compared with EFG results coming from PAC experiments in isomorphous α-Al 2 O 3 and α-Fe 2 O 3 doped with 111 In→ 111 Cd and 181 Hf→ 181 Ta tracers. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

  6. Effect of Al2O3 on the sintering of garnet-type Li6.5La3Zr1.5Ta0.5O12

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yuxing; Yan, Pengfei; Xiao, Jie; Lu, Xiaochuan; Zhang, Ji-Guang; Sprenkle, Vincent L.

    2016-10-01

    It is widely recognized that Al plays a dual role in the fabrication of garnet-type solid electrolytes, i.e., as a dopant that stabilizes the cubic structure and a sintering aid that facilitates the densification. However, the sintering effect of Al2O3 has not been well understood so far because Al is typically “unintentionally” introduced into the sample from the crucible during the fabrication process. In this study, we have investigated the sintering effect of Al on the phase composition, microstructure, and ionic conductivity of Li6.5La3Zr1.5Ta0.5O12 by using an Al-free crucible and intentionally adding various amounts of γ-Al2O3. It was found that the densification of Li6.5La3Zr1.5Ta0.5O12 occurred via liquid-phase sintering, with evidence of morphology change among different compositions. Among all of the compositions, samples with 0.05 mol of Al per unit formula of garnet oxide (i.e., 0.3 wt% Al2O3) exhibited the optimal microstructure and the highest total ionic conductivity of 5 10-4 S cm-1 at room temperature.

  7. 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.

  8. Influence of oxygen on omega phase stability in the Ti-29Nb-13Ta-4.6Zr alloy

    International Nuclear Information System (INIS)

    Niinomi, Mitsuo; Nakai, Masaaki; Hendrickson, Mandana; Nandwana, Peeyush; Alam, Talukder; Choudhuri, Deep; Banerjee, Rajarshi

    2016-01-01

    The effect of oxygen on stability of isothermal omega precipitates in Ti-29Nb-13Ta-4.6Zr was examined using X-ray powder diffraction, transmission electron microscopy, and atom probe tomography. Two alloys with 0.1 and 0.4 mass% oxygen were subjected to single step, and two-step annealing heat-treatments to respectively promote omega and alpha formation. After second step annealing, large volume fraction of omega precipitates was retained in 0.4 mass% O alloy while mainly alpha phase was observed in TNTZ-0.1O. The enhanced stability of omega in the higher oxygen containing TNTZ alloys questions the conventionally accepted understanding that oxygen destabilizes the omega phase in titanium alloys.

  9. 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)

  10. Electric quadrupole and magnetic dipole interactions at {sup 181}Ta impurity in Zr{sub 2}Ni{sub 7} intermetallic compound: Experiment and first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Dey, C.C., E-mail: chandicharan.dey@saha.ac.in [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Srivastava, S.K. [Department of Physics and Meteorology, Indian Institute of Technology, Kharagpur 721302 (India)

    2013-10-15

    Electric quadrupole interactions at {sup 181}Ta impurity in the intermetallic compound Zr{sub 2}Ni{sub 7} have been studied by perturbed angular correlation technique. It has been found that there are two electric field gradients (EFG) at the {sup 181}Ta site due to two different crystalline configurations in Zr{sub 2}Ni{sub 7}, while contradictory results were reported from previous investigations. The values of EFG at room temperature have been found to be V{sub zz}=7.9×10{sup 17} V/cm{sup 2} and 7.1×10{sup 17} V/cm{sup 2} corresponding to present experimental values of quadrupole frequencies and asymmetry parameters for the two sites: ω{sub Q}{sup 1}=70.7(1) Mrad/s, η=0.28(1), δ=0.8(2)% (site fraction 84%) and ω{sub Q}{sup 2}=63(1) Mrad/s, η=0.35(5), δ∼0 (site fraction 9%). Electric field gradients and asymmetry parameters have been computed from the complementary first-principles density functional theory (DFT) to compare with present experimental results. Our calculated values of EFG are found to be in close agreement with the experimental results. No magnetic interactions in Zr{sub 2}Ni{sub 7} have been observed at 298 and 77 K which implies that there is no ferromagnetic ordering in this material down to 77 K. This observation is corroborated by theoretical calculations, wherein no magnetic moment or hyperfine field is found at any atomic site.

  11. 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

  12. Microstructure and chemical analysis of Hf-based high-k dielectric layers in metal-insulator-metal capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Thangadurai, P. [Department of Materials Engineering, Technion - Israel Institute of Technology, Haifa 32000 (Israel); Mikhelashvili, V.; Eisenstein, G. [Department of Electrical Engineering, Technion - Israel Institute of Technology, Haifa 32000 (Israel); Kaplan, W.D., E-mail: kaplan@tx.technion.ac.i [Department of Materials Engineering, Technion - Israel Institute of Technology, Haifa 32000 (Israel)

    2010-05-31

    The microstructure and chemistry of the high-k gate dielectric significantly influences the performance of metal-insulator-metal (MIM) and metal-oxide-semiconductor devices. In particular, the local structure, chemistry, and inter-layer mixing are important phenomena to be understood. In the present study, high resolution and analytical transmission electron microscopy are combined to study the local structure, morphology, and chemistry in MIM capacitors containing a Hf-based high-k dielectric. The gate dielectric, bottom and gate electrodes were deposited on p-type Si(100) wafers by electron beam evaporation. Four chemically distinguishable sub-layers were identified within the dielectric stack. One is an unintentionally formed 4.0 nm thick interfacial layer of Ta{sub 2}O{sub 5} at the interface between the Ta electrode and the dielectric. The other three layers are based on HfN{sub x}O{sub y} and HfTiO{sub y}, and intermixing between the nearby sub-layers including deposited SiO{sub 2}. Hf-rich clusters were found in the HfN{sub x}O{sub y} layer adjacent to the Ta{sub 2}O{sub 5} layer.

  13. Looking for New Polycrystalline MC-Reinforced Cobalt-Based Superalloys Candidate to Applications at 1200°C

    Directory of Open Access Journals (Sweden)

    Patrice Berthod

    2017-01-01

    Full Text Available For applications for which temperatures higher than 1150°C can be encountered the currently best superalloys, the γ/γ′ single crystals, cannot be used under stress because of the disappearance of their reinforcing γ′ precipitates at such temperatures which are higher than their solvus. Cobalt-based alloys strengthened by refractory and highly stable carbides may represent an alternative solution. In this work the interest was focused on MC carbides of several types. Alloys were elaborated with atomically equivalent quantities in M element (among Ti, Ta, Nb, Hf, or Zr and in C. Script-like eutectic TiC, TaC, NbC, HfC, and ZrC carbides were successfully obtained in the interdendritic spaces. Unfortunately, only one type, HfC, demonstrated high morphological stability during about 50 hours at 1200°C. The concerned alloy, of the Co-25Cr-0.5C-7.4Hf type (in wt.%, was further characterized in flexural creep resistance and air-oxidation resistance at the same temperature. The creep behaviour was very good, notably by comparison with a more classical Co-25Cr-0.5C-7.5Ta alloy, proving that the interest of HfC is higher than the TaC one. In contrast the oxidation by air was faster and its behaviour not really chromia-forming. Significant improvements of this chemical resistance are expected before taking benefit from the mechanical superiority of this alloy.

  14. 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.

  15. 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

  16. Measurement of astrophysical S-factors and electron screening potentials for d(d,n)3He reaction in ZrD2, TiD2 and TaD0.5 targets in the ultralow energy region using plasma accelerator

    International Nuclear Information System (INIS)

    Bystritsky, V.M.; Bystritskii, Vit.M.; Dudkin, G.N.; Filipowicz, M.; Gazi, S.; Huran, J.; Kobzev, A.P.; Mesyats, G.A.; Nechaev, B.A.; Padalko, V.N.; Parzhitskii, S.S.; Pen'kov, F.M.; Philippov, A.V.; Kaminskii, V.L.; Tuleushev, Yu.Zh.; Wozniak, J.

    2012-01-01

    The present paper is devoted to the study of the electron screening effect influence on the rate of d(d,n) 3 He reaction in the ultralow deuteron collision energy range in the deuterated metals (ZrD 2 , TiD 2 and TaD 0.5 ). The ZrD 2 , TiD 2 and TaD0.5 targets were fabricated via magnetron sputtering of titanium, zirconium and tantalum in gas (deuterium) environment. The experiments have been carried out using the high-current pulsed Hall plasma accelerator (NSR TPU, Russia). The detection of neutrons with energy of 2.5 MeV from the dd reaction was done with plastic scintillation spectrometers. As a result of the experiments, the energy dependences of the astrophysical S-factor for the dd reaction in the deuteron collision energy range of 2-7 keV and the values of the electron screening potential U e of the interacting deuterons have been measured for the above targets: U e (ZrD 2 )=(205±35) eV; U e (TiD 2 )=(125±34) eV; U e (TaD 0.5 )=(313±58) eV. Our results are compared with the other published experimental and calculated data.

  17. Strong work-hardening behavior induced by the solid solution strengthening of dendrites in TiZr-based bulk metallic glass matrix composites

    Energy Technology Data Exchange (ETDEWEB)

    Ma, D.Q. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Jiao, W.T. [College of Education, Hebei Normal University of Science and Technology, Qinhuangdao 066004 (China); Zhang, Y.F. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Hebei Vocational and Technical College of Building Materials, Qinhuangdao 066004 (China); Wang, B.A.; Li, J.; Zhang, X.Y. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Ma, M.Z., E-mail: mz550509@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Liu, R.P. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2015-03-05

    Highlights: • Hardness of dendrite of TiZr-based BMGMCs increases. • Strong work-hardening behavior is obtained after solid solution strengthening. • Lattice distortions of dendrite suffering from rapid cooling are detected. - Abstract: A series of TiZr-based bulk metallic glass matrix composites (BMGMCs) with distinguished mechanical properties are successfully fabricated by adding different volume fractions of Ta (Ti{sub 38.8}Zr{sub 28.8}Cu{sub 6.2}Be{sub 16.2}Nb{sub 10} as the basic composition, denoted as Ta{sub 0.0}–Ta{sub 8.0}). Along with the growth of precipitated phase, typical dendritic morphology is fully developed in the TiZr-based BMGMCs of Ta{sub 8.0}. Energy-dispersive spectrometry analysis of the dendrites and glass matrix indicates that the metallic elements of Nb and Ta should preferentially form solid solution into dendrites. The chaotic structure of high-temperature precipitate phase is trapped down by the rapid cooling of the copper-mould. The detected lattice distortions in the dendrites are attributed to the strong solid solution strengthening of the metallic elements of Ti, Zr, Nb, and Ta. These lattice distortions increase the resistance of the dislocation motion and pin the dislocations, thus the strength and hardness of dendrite increase. Dendrites create a strong barrier for the shear band propagation and generate multiple shear bands after solid solution strengthening, thereby providing the TiZr-based BMGMCs with greatly improved capacity to sustain plastic deformation and resistance to brittle fracture. Thus, the TiZr-based BMGMCs possess distinguished work-hardening capability. Among these TiZr-based BMGMCs, the sample Ta{sub 0.5} possesses the largest plastic strain (ε{sub p}) at 20.3% and ultimate strength (σ{sub max}) of 2613 MPa during compressive loading. In addition, the sample of Ta{sub 0.5} exhibits work-hardening up to an ultrahigh tensile strength of 1680 MPa during the tensile process, and then progressively

  18. Corrosion resistance of tantalum base alloys

    International Nuclear Information System (INIS)

    Gypen, L.A.; Brabers, M.; Deruyttre, A.

    1984-01-01

    The corrosion behaviour of substitutional Ta-Mo, Ta-W, Ta-Nb, Ta-Hf, Ta-Zr, Ta-Re, Ta-Ni, Ta-V, Ta-W-Mo, Ta-W-Nb, Ta-W-Hf and Ta-W-Re alloys has been investigated in various corrosive media, i.e. (1) concentrated sulfuric acid at 250 0 C and 200 0 C, (2) boiling hydrochloric acid of azeotropic composition, (3) concentrated hydrochloric acid at 150 0 C under pressure, (4) HF-Containing solutions and (5) 0.5% H 2 SO 4 at room temperature (anodisation). In highly corrosive media such as concentrated H 2 SO 4 at 250 0 C and concentrated HCl at 150 0 C tantalum is hydrogen embrittled, probably by stress induced precipitation of β-hydride. Both corrosion rate and hydrogen embrittlement in concentrated H 2 SO 4 at 250 0 C are strongly influenced by alloying elements. Small alloying additions of either Mo or Re decrease the corrosion rate and the hydrogen embrittlement, while Hf has the opposite effect. Hydrogen embrittlement in concentrated H 2 SO 4 at 250 0 C is completely eliminated by alloying Ta with 1 to 3 at % Mo (0.5 to 1.5 wt % Mo). These results can be explained in terms of oxygen deficiency of the Ta 2 O 5 film and the electronic structure of these alloys. (orig.) [de

  19. Spectrographic Determination of Impurities in Ceramic Materials for Nuclear fusion Reactors. II. Analysis of Magnesium Aluminate

    International Nuclear Information System (INIS)

    Rucandio, M. I.; Roca, M.; Melon, A.

    1990-01-01

    The determination of minor and trace elements in the magnesium aluminate, considered as possible material in thermonuclear fusion reactors, has been studied. The concentration ranges are 0.1 - 0.3 % for Ca, SI and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mn, Na, Ni, Se, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current are excitation and photographic detection has been employed. For Hf, Ta and Zr the use of 40% of copper fluoride as a carrier and of Nb as internal standard provide suitable sensitivities and precessions, while for the rest of elements the best results are obtained with graphite powder in different proportions and Rb or Sn as internal standard. (Author)4 refs

  20. Spectrographic determination of impurities in ceramic materials for nuclear fusion reactors. II. Analysis of magnesium aluminate

    International Nuclear Information System (INIS)

    Roca, M.; Rucandio, M.I.; Melon, A.

    1990-01-01

    The determination of minor and trace elements in the magnesium aluminate, considered as possible mataerial in thermonuclear fusion reactors, has been studied. The concentaration ranges are 0.1-0.3 % for Ca, Si and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mn, Na, Ni, Sc, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current arc excitation and photographic detection has been employed. For Hf, Ta and Zr the use of 40% of copper fluoride as a carrier and of Nb as internal standard provide suitable sensitivities and precissions, while for the rest of elements the best results are obtained with graphite power in different proportions and Rb or Sn as internal standard. (Author). 4 refs

  1. Spectrographic Determination of Impurities in Ceramic Materials for Nuclear fusion Reactors. II. Analysis of Magnesium Aluminate; Determinacion Espectrografia de Impurezas en materiales Ceramicos para Fusion Nuclear. II. Analisis de Aluminato de Magnesio

    Energy Technology Data Exchange (ETDEWEB)

    Rucandio, M I; Roca, M; Melon, A

    1990-07-01

    The determination of minor and trace elements in the magnesium aluminate, considered as possible material in thermonuclear fusion reactors, has been studied. The concentration ranges are 0.1 - 0.3 % for Ca, SI and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mn, Na, Ni, Se, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current are excitation and photographic detection has been employed. For Hf, Ta and Zr the use of 40% of copper fluoride as a carrier and of Nb as internal standard provide suitable sensitivities and precessions, while for the rest of elements the best results are obtained with graphite powder in different proportions and Rb or Sn as internal standard. (Author)4 refs.

  2. Obtainment of tantalum oxide from national ores

    International Nuclear Information System (INIS)

    Pinatti, D.G.; Ribeiro, S.; Martins, A.H.

    1988-01-01

    The experimental results of tantalum oxides (Ta 2 O 5 ) obtainment from Brazilian ores of tantalite and columbite are described. This study is a part of the technologic and scientific research design of refractory metals (Ti, Zr, Hf, V, Nb, Ta, Cr, Mo and W) and correlate ceramics. (C.G.C.) [pt

  3. Ionic exchange of Hf donor impurities in the wide-gap semiconductor Tm2O3

    International Nuclear Information System (INIS)

    Munoz, E.L.; Darriba, G.N.; Bibiloni, A.G.; Errico, L.A.; Renteria, M.

    2010-01-01

    The ionic exchange of Hf donor impurities in substitutional cationic sites of the cubic (bixbyite) phase of the wide-gap semiconductor Tm 2 O 3 was studied. The doping process was performed by ball-milling-assisted solid-state reaction of Tm 2 O 3 and neutron-activated m-HfO 2 . 181 Ta atoms, obtained by the β-decay of the 181 Hf-isotope, were used as probes in time-differential perturbed-angular-correlation (TDPAC) experiments carried out after each step of the doping process. The measured hyperfine interactions at 181 Ta sites enabled the electric-field gradient (EFG) characterization at representative Hf impurity sites of each step of the process. The efficiency and substitutional character of the exchange process is discussed and elucidated in the framework of an empirical EFG systematic established in isostructural rare-earth bixbyite sesquioxides.

  4. Solid electrolytes. Extremely fast charge carriers in garnet-type Li{sub 6}La{sub 3}ZrTaO{sub 12} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stanje, Bernhard; Breuer, Stefan; Uitz, Marlena [Christian Doppler Laboratory for Lithium Batteries, and Institute for Chemistry and Technology of Materials, Graz University of Technology (NAWI Graz), Graz (Austria); DFG Research Unit ' ' Mobility of Lithium Ions in Solids' ' , Graz University of Technology, Graz (Austria); Rettenwander, Daniel; Redhammer, Guenther [Department Chemistry and Physics of Materials, University of Salzburg (Austria); Berendts, Stefan; Lerch, Martin [Technische Universitaet Berlin, Institut fuer Chemie (Germany); Uecker, Reinhard [Leibniz Institute for Crystal Growth (Forschungsverbund Berlin e.V.), Berlin (Germany); Hanzu, Ilie; Wilkening, Martin [Christian Doppler Laboratory for Lithium Batteries, and Institute for Chemistry and Technology of Materials, Graz University of Technology (NAWI Graz), Graz (Austria); DFG Research Unit ' ' Mobility of Lithium Ions in Solids' ' , Graz University of Technology, Graz (Austria); Alistore-ERI European Research Institute, Amiens (France)

    2017-12-15

    The development of all-solid-state electrochemical energy storage systems, such as lithium-ion batteries with solid electrolytes, requires stable, electronically insulating compounds with exceptionally high ionic conductivities. Considering ceramic oxides, garnet-type Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} and derivatives, see Zr-exchanged Li{sub 6}La{sub 3}ZrTaO{sub 12} (LLZTO), have attracted great attention due to its high Li{sup +} ionic conductivity of 10{sup -3} S cm{sup -1} at ambient temperature. Despite numerous studies focussing on conductivities of powder samples, only few use time-domain NMR methods to probe Li ion diffusion parameters in single crystals. Here we report on temperature-variable NMR relaxometry measurements using both laboratory and spin-lock techniques to probe Li jump rates covering a dynamic time window spanning several decades. Both techniques revealed a consistent picture of correlated Li ion jump diffusion in the single crystal; the data perfectly mirror a modified BPP-type relaxation response being based on a Lorentzian-shaped relaxation function. The rates measured could be parameterized with a single set of diffusion parameters. Results from NMR are completely in line with ion transport parameters derived from conductivity spectroscopy. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Characterization of a High Strength, Refractory High Entropy Alloy, AlMo0.5NbTa0.5TiZr

    Science.gov (United States)

    Jensen, Jacob

    High entropy alloys (HEAs) are a relatively new class of materials that have garnered significant interest over the last decade due to their intriguing balance of properties including high strength, toughness, and corrosion resistance. In contrast to conventional alloy systems, HEAs are based on four or more principal elements with near equimolar concentrations and tend to have simple microstructures due to the preferential formation of solid solution phases. HEAs appear to offer new pathways to lightweighting in structural applications, new alloys for elevated temperature components, and new magnetic materials, but more thorough characterization studies are needed to assess the viability of the recently developed multicomponent materials. One such HEA, AlMo0.5NbTa0.5TiZr, was selected to be the basis for this characterization study in part due to its strength at elevated temperatures (sigma0.2 = 1600 MPa at T = 800 °C) and low density compared with commercially available Ni-based superalloys. The refractory element containing HEA composition was developed in order to balance the high temperature strength of the refractory elements with the desirable properties achieved by the high entropy alloying design approach for potential use in aerospace thermal protection and structural applications. Ingots of AlMo0.5NbTa0.5TiZr were cast by vacuum arc melting followed by hot isostatic pressing (HIP) and homogenization at 1400 °C for 24 hrs with a furnace cool of 10 °C/min. The resulting microstructure was characterized at multiple length scales using x-ray diffraction (XRD), scanning transmission electron microscopy (SEM), conventional and scanning transmission electron microscopy (TEM and STEM), and x-ray energy dispersive spectroscopy (XEDS). The microstructure was found to consist of a periodic, coherent two phase mixture, where a disordered bcc phase is aligned orthogonally in an ordered B2 phase. Through microstructural evolution heat treatment studies, the

  6. Electrochemical Stability of Li{sub 6.5}La{sub 3}Zr{sub 1.5}M{sub 0.5}O{sub 12} (M = Nb or Ta) against Metallic Lithium

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yunsung [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States); Yoo, Aeri [Department of Advanced Materials Engineering, Korea Polytechnic University, Siheung (Korea, Republic of); Schmidt, Robert; Sharafi, Asma [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States); Lee, Heechul [Department of Advanced Materials Engineering, Korea Polytechnic University, Siheung (Korea, Republic of); Wolfenstine, Jeff [Army Research Laboratory, RDRL-SED-C, Adelphi, MD (United States); Sakamoto, Jeff, E-mail: jeffsaka@umich.edu [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI (United States)

    2016-05-20

    The electrochemical stability of Li{sub 6.5}La{sub 3}Zr{sub 1.5}Nb{sub 0.5}O{sub 12} (LLZNO) and Li{sub 6.5}La{sub 3}Zr{sub 1.5}Ta{sub 0.5}O{sub 12} (LLZTO) against metallic Li was studied using direct current (DC) and electrochemical impedance spectroscopy (EIS). Dense polycrystalline LLZNO (ρ = 97%) and LLZTO (ρ = 92%) were made using sol–gel synthesis and rapid induction hot-pressing at 1100°C and 15.8 MPa. During DC cycling tests at room temperature (± 0.01 mA/cm{sup 2} for 36 cycles), LLZNO exhibited an increase in Li–LLZNO interface resistance and eventually short-circuiting while the LLZTO was stable. After DC cycling, LLZNO appeared severely discolored while the LLZTO did not change in appearance. We believe the increase in Li–LLZNO interfacial resistance and discoloration are due to reduction of Nb{sup 5+} to Nb{sup 4+}. The negligible change in interfacial resistance and no color change in LLZTO suggest that Ta{sup 5+} may be more stable against reduction than Nb{sup 5+} in cubic garnet versus Li during cycling.

  7. Lithium ion diffusion measurements on a garnet-type solid conductor Li6.6La3Zr1.6Ta0.4O12 by using a pulsed-gradient spin-echo NMR method.

    Science.gov (United States)

    Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki; Imanishi, Nobuyuki

    2015-09-01

    The garnet-type solid conductor Li7-xLa3Zr2-xTaxO12 is known to have high ionic conductivity. We synthesized a series of compositions of this conductor and found that cubic Li6.6La3Zr1.6Ta0.4O12 (LLZO-Ta) has a high ionic conductivity of 3.7×10(-4)Scm(-1) at room temperature. The (7)Li NMR spectrum of LLZO-Ta was composed of narrow and broad components, and the linewidth of the narrow component varied from 0.69kHz (300K) to 0.32kHz (400K). We carried out lithium ion diffusion measurements using pulsed-field spin-echo (PGSE) NMR spectroscopy and found that echo signals were observed at T≥313K with reasonable sensitivity. The lithium diffusion behavior was measured by varying the observation time and pulsed-field gradient (PFG) strength between 313 and 384K. We found that lithium diffusion depended significantly on the observation time and strength of the PFG, which is quite different from lithium ion diffusion in liquids. It was shown that lithium ion migration in the solid conductor was distributed widely in both time and space. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. Determination of the potential and coherent scattering cross-sections of the elements Si, Ca, Cr, Mn, Co, Zn, Zr, Sb and Ta

    International Nuclear Information System (INIS)

    Adib, M.; Abdel-Kawy, A.; Hamouda, I.

    1976-01-01

    The potential scattering cross-sections for slow neutrons have been measured for Si, Ca, Cr, Mn, Co, Zn, Zr, Sb and Ta in order to determine the nuclear potential radius and to investigate the prediction of nuclear optical model. The coherent scattering cross-sections for these elements have been measured from the obtained values of the Bragg cut-offs observed in the behaviour of the total cross-sections at cold neutron energies. The measurements were based on the total neutron cross-sections resulting from transmission experiments performed with the neutron chopper at ET-RR-1 reactor

  9. 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

  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. 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.

  12. Measurement of astrophysical S-factors and electron screening potentials for d(d,n){sup 3}He reaction in ZrD{sub 2}, TiD{sub 2} and TaD{sub 0.5} targets in the ultralow energy region using plasma accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Bystritsky, V.M., E-mail: bystvm@jinr.ru [Joint Institute for Nuclear Research, Dubna, Moscow Region (Russian Federation); Bystritskii, Vit.M. [Department of Physics and Astronomy, University of California, Irvine (United States); Dudkin, G.N. [National Scientific Research Tomsk Polytechnical University, Tomsk (Russian Federation); Filipowicz, M. [Faculty of Energy and Fuels, AGH, University of Science and Technology, Cracow (Poland); Gazi, S.; Huran, J. [Institute of Electrical Engineering, SAS, Bratislava (Slovakia); Kobzev, A.P. [Joint Institute for Nuclear Research, Dubna, Moscow Region (Russian Federation); Mesyats, G.A. [Lebedev Physical Institute of the Russian Academy of Sciences, Moscow (Russian Federation); Nechaev, B.A.; Padalko, V.N. [National Scientific Research Tomsk Polytechnical University, Tomsk (Russian Federation); Parzhitskii, S.S. [Joint Institute for Nuclear Research, Dubna, Moscow Region (Russian Federation); Pen' kov, F.M. [Institute of Nuclear Physics, NNC, Almaty (Kazakhstan); Philippov, A.V. [Joint Institute for Nuclear Research, Dubna, Moscow Region (Russian Federation); Kaminskii, V.L. [National Scientific Research Tomsk Polytechnical University, Tomsk (Russian Federation); Tuleushev, Yu.Zh. [Institute of Nuclear Physics, NNC, Almaty (Kazakhstan); Wozniak, J. [Faculty of Physics and Applied Computer Sciences, AGH, University of Science and Technology, Cracow (Poland)

    2012-09-01

    The present paper is devoted to the study of the electron screening effect influence on the rate of d(d,n){sup 3}He reaction in the ultralow deuteron collision energy range in the deuterated metals (ZrD{sub 2}, TiD{sub 2} and TaD{sub 0.5}). The ZrD{sub 2}, TiD{sub 2} and TaD0.5 targets were fabricated via magnetron sputtering of titanium, zirconium and tantalum in gas (deuterium) environment. The experiments have been carried out using the high-current pulsed Hall plasma accelerator (NSR TPU, Russia). The detection of neutrons with energy of 2.5 MeV from the dd reaction was done with plastic scintillation spectrometers. As a result of the experiments, the energy dependences of the astrophysical S-factor for the dd reaction in the deuteron collision energy range of 2-7 keV and the values of the electron screening potential U{sub e} of the interacting deuterons have been measured for the above targets: U{sub e}(ZrD{sub 2})=(205{+-}35) eV; U{sub e}(TiD{sub 2})=(125{+-}34) eV; U{sub e}(TaD{sub 0.5})=(313{+-}58) eV. Our results are compared with the other published experimental and calculated data.

  13. Spectrographic determination of impurities in ceramic materials for nuclear fusion reactors. 1. Analysis of alumina

    International Nuclear Information System (INIS)

    Rucandio, M.I.; Roca, M.; Melon, A.

    1990-01-01

    The determination of minor and trace elements in the aluminium oxide considered as possible ceramic material in thermonuclear fusion reactors has been studied. The concentration ranges are 0.1-0.3 % for Ca, Si and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mg, Mn, Na, Ni, Sc, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current arc excitation and photographic detection has been employed. For Hf, Mg, Ta, Ti, V and Zr the use of 40% of copper fluoride as a carrier and of Nb as internal standard provide suitable sensitivities and precissions, while for the rest of elements the best results are obtained with graphite powder in different proportions and Rb or Sn as internal standard. (Author). 7 refs

  14. Spectrographic Determination of Impurities in Ceramic Materials for Nuclear Fusion Reactors. I. Analysis of Alumina; Determinacion Espectrografica de impurezas en materiales ceramicos para fusion nuclear. I.- Analisis de alumina

    Energy Technology Data Exchange (ETDEWEB)

    Rucandio, M I; Roca, M; Melon, A

    1990-07-01

    The determination of minor and trace elements in the aluminium oxide considered as possible ceramic material in thermonuclear fusion reactors has been studied. The concentration ranges are 0.1 - 0.3 * for Ca, Si and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mg, Mn, Na, Ni, Se, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current ore excitation and photographic detection has been employed. For Hf, Mg, Ta, Ti, V and Zr the use of 40% of copper fluoride as a carrier and of Nb as lnternal standard provide suitable sensitivities and precessions, while for the rest of elements the bent results are obtained with graphite powder in different proportions and Rb or Sn as internal standard. (Author) 7 refs.

  15. Spectrographic Determination of Impurities in Ceramic Materials for Nuclear Fusion Reactors. I. Analysis of Alumina

    International Nuclear Information System (INIS)

    Rucandio, M. I.; Roca, M.; Melon, A.

    1990-01-01

    The determination of minor and trace elements in the aluminium oxide considered as possible ceramic material in thermonuclear fusion reactors has been studied. The concentration ranges are 0.1 - 0.3 * for Ca, Si and Y, and at the ppm level for Co, Cr, Fe, Hf, K, Li, Mg, Mn, Na, Ni, Se, Ta, Ti, V and Zr. Atomic emission spectroscopy with direct current ore excitation and photographic detection has been employed. For Hf, Mg, Ta, Ti, V and Zr the use of 40% of copper fluoride as a carrier and of Nb as lnternal standard provide suitable sensitivities and precessions, while for the rest of elements the bent results are obtained with graphite powder in different proportions and Rb or Sn as internal standard. (Author) 7 refs

  16. Nonequilibrium theory of flame propagation

    International Nuclear Information System (INIS)

    Merzhanov, A.G.

    1995-01-01

    The nonequilibrium theory of flame propagation is considered as applied to the following three processes of wave propagation: the combustion waves of the second kind, the combustion waves with broad reaction zones, and the combustion waves with chemical stages. Kinetic and combustion wave parameters are presented for different in composition mixtures of boron and transition metals, such as Zr, Hf, Ti, Nb, Ta, Mo, as well as for the Ta-N, Zr-C-H, Nb-B-O systems to illustrate specific features of the above-mentioned processes [ru

  17. Level structures in odd-odd deformed nucleus {sup 184}Ta

    Energy Technology Data Exchange (ETDEWEB)

    Gowrishankar, R.; Sood, P.C. [Sri Sathya Sai Institute of Higher Learning, Department of Physics, Prasanthinilayam (India)

    2016-02-15

    A detailed low-energy level scheme of the odd-odd n-rich nucleus {sub 73}{sup 184}Ta{sub 111} is constructed using the well tested Two-Quasiparticle Rotor Model (TQRM) for calculating the bandhead energies of physically admissible 2qp configurations with the inclusion of residual n-p interaction contribution. The presently available data on this level scheme from {sup 184}Hf decay are shown to be in agreement with these calculations. Our analysis concludes that {sup 184}Hf (Q{sub β} = 1340(30) keV) decay admits of 7 additional (to the 3 presently reported) β -branches to {sup 184}Ta with J = 0 or 1 and 8 more physically admissible weak (1f{sup u}) β -branches populating J{sup π} = 2{sup -} levels in {sup 184}Ta. Further, a close examination of our level scheme clearly indicates the existence of a low-lying (E{sub x} = 260(40) keV) high-spin (J{sup π} = 10{sup -}) long-lived isomer in this nucleus. (orig.)

  18. 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 .

  19. 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...

  20. Crystal Structure and Antiferromagnetic Ordering of Quasi-2D [Cu(HF2)(pyz)2]TaF6 (pyz=pyrazine)

    Science.gov (United States)

    Manson, J. L.; Schlueter, J. A.; McDonald, R. D.; Singleton, J.

    2010-04-01

    The crystal structure of the title compound was determined by X-ray diffraction at 90 and 295 K. Copper(II) ions are coordinated to four bridging pyz ligands to form square layers in the ab-plane. Bridging HF2- ligands join the layers together along the c-axis to afford a tetragonal, three-dimensional (3D) framework that contains TaF6- anions in every cavity. At 295 K, the pyz rings lie exactly perpendicular to the layers and cooling to 90 K induces a canting of those rings. Magnetically, the compound exhibits 2D antiferromagnetic correlations within the 2D layers with an exchange interaction of -13.1(1) K. Weak interlayer interactions, as mediated by Cu-F-H-F-Cu, leads to long-range magnetic order below 4.2 K. Pulsed-field magnetization data at 0.5 K show a concave curvature with increasing B and reveal a saturation magnetization at 35.4 T.

  1. Magnetic hyperfine fields on 181Ta at the Nb and V sites in Heusler alloys CO2YAL (Y=NB,V)

    International Nuclear Information System (INIS)

    Pendl Junior, W.

    1990-01-01

    Magnetic hyperfine fields (MHF) acting on sup(181)Ta at the Nb and V sites have been determined in the Heusler alloys Co sub(2) NbA1 and Co sub(2) VA1 by the time differential perturbed angular correlation (TDPAC) technique utilizing the well known 133-482 Kev gamma cascade in sup(181)Ta. The measurement were carried out using an automatic spectrometer consisting of three NaI(T1) detectors and a fast-slow coincidence system. The measurements were performed at 77 K with and without an externally applied magnetic field ( ∼ 4.5 KGauss) to determine the sign as well as the magnitude of the hyperfine fields in both alloys. For the alloy Co sub(2) NbA1 a unique field of -138(4) KOe was observed whereas in the case of Co sub(2)VA1 two distinct magnetic sites were observed. The present result show that approximately 24% of the sup(181)Ta atoms in this alloy probe a field of -116(4) KOe while the other ∼ 76% of the atoms feel -83(3) KOe. Present data along with the existing results on similar alloys Co sub(2)T1,Hf,Zr (Al,Ga,Sn) are discussed and compared with the magnetic hyperfine field systematics in Heusler alloys. (author)

  2. Ionic exchange of Hf donor impurities in the wide-gap semiconductor Tm{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Munoz, E.L.; Darriba, G.N. [Departamento de Fisica-IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900 La Plata (Argentina); Bibiloni, A.G. [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900 La Plata (Argentina); Errico, L.A. [Departamento de Fisica-IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900 La Plata (Argentina); Universidad Nacional del Noroeste Bonaerense (UNNOBA), Monteagudo 2772, 2700 Pergamino, Buenos Aires (Argentina); Renteria, M., E-mail: renteria@fisica.unlp.edu.a [Departamento de Fisica-IFLP (CONICET-UNLP), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. 67, 1900 La Plata (Argentina)

    2010-04-16

    The ionic exchange of Hf donor impurities in substitutional cationic sites of the cubic (bixbyite) phase of the wide-gap semiconductor Tm{sub 2}O{sub 3} was studied. The doping process was performed by ball-milling-assisted solid-state reaction of Tm{sub 2}O{sub 3} and neutron-activated m-HfO{sub 2}. {sup 181}Ta atoms, obtained by the {beta}-decay of the {sup 181}Hf-isotope, were used as probes in time-differential perturbed-angular-correlation (TDPAC) experiments carried out after each step of the doping process. The measured hyperfine interactions at {sup 181}Ta sites enabled the electric-field gradient (EFG) characterization at representative Hf impurity sites of each step of the process. The efficiency and substitutional character of the exchange process is discussed and elucidated in the framework of an empirical EFG systematic established in isostructural rare-earth bixbyite sesquioxides.

  3. Experimental and ab initio study of Ta-doped ZnO semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Munoz, E. L., E-mail: munoz@fisica.unlp.edu.ar; Richard, D., E-mail: richard@fisica.unlp.edu.ar [UNLP, Departamento de Fisica and Instituto de Fisica La Plata (IFLP, CCT La Plata, CONICET), Fac. de Ciencias Exactas (Argentina); Eversheim, P. D. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen-und Kernphysik (H-ISKP) (Germany); Renteria, M., E-mail: renteria@fisica.unlp.edu.ar [UNLP, Departamento de Fisica and Instituto de Fisica La Plata (IFLP, CCT La Plata, CONICET), Fac. de Ciencias Exactas (Argentina)

    2010-04-15

    In this work, we present {gamma}-{gamma} Perturbed-Angular-Correlation results in polycrystalline ZnO semiconductor implanted with {sup 181}Hf({yields}{sup 181}Ta) probes. Calculations in Ta-doped ZnO were carried out using the Full-Potential Augmented Plane Wave plus local orbital method in a supercell and varying self-consistently the charge state of the impurity. Ta is a triple donor impurity with respect to Zn{sup 2 + } in ZnO and thus it can loose 1, 2 or 3 donor electrons under certain circumstances. As expected, the comparison between the experimental Electric-Field-Gradient tensor results and our ab initio predictions shows that the Ta impurity is in an ionized charge state at room temperature.

  4. Experimental and ab initio study of Ta-doped ZnO semiconductor

    International Nuclear Information System (INIS)

    Muñoz, E. L.; Richard, D.; Eversheim, P. D.; Rentería, M.

    2010-01-01

    In this work, we present γ–γ Perturbed-Angular-Correlation results in polycrystalline ZnO semiconductor implanted with 181 Hf(→ 181 Ta) probes. Calculations in Ta-doped ZnO were carried out using the Full-Potential Augmented Plane Wave plus local orbital method in a supercell and varying self-consistently the charge state of the impurity. Ta is a triple donor impurity with respect to Zn 2 +  in ZnO and thus it can loose 1, 2 or 3 donor electrons under certain circumstances. As expected, the comparison between the experimental Electric-Field-Gradient tensor results and our ab initio predictions shows that the Ta impurity is in an ionized charge state at room temperature.

  5. α″ Martensite and Amorphous Phase Transformation Mechanism in TiNbTaZr Alloy Incorporated with TiO2 Particles During Friction Stir Processing

    Science.gov (United States)

    Ran, Ruoshi; Liu, Yiwei; Wang, Liqiang; Lu, Eryi; Xie, Lechun; Lu, Weijie; Wang, Kuaishe; Zhang, Lai-Chang

    2018-06-01

    This work studied the formation of the α″ martensite and amorphous phases of TiNbTaZr alloy incorporated with TiO2 particles during friction stir processing. Formation of the amorphous phase in the top surface mainly results from the dissolution of oxygen, rearrangement of the lattice structure, and dislocations. High-stress stemming caused by dislocations and high-stress concentrations at crystal-amorphous interfaces promote the formation of α″ martensite. Meanwhile, an α″ martensitic transformation is hindered by oxygen diffusion from TiO2 to the matrix, thereby increasing resistance to shear.

  6. 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)

  7. Perturbed-angular-correlation study of the electric-field gradient in 181Hf-doped and implanted indium sesquioxide

    International Nuclear Information System (INIS)

    Renteria, M.; Requejo, F.G.; Bibiloni, A.G.; Pasquevich, A.F.; Shitu, J.; Freitag, K.

    1997-01-01

    We studied the hyperfine interactions of 181 Ta in In 2 O 3 by means of perturbed-angular-correlation (PAC) measurements. We prepared thin films of indium sesquioxide with different degrees of initial amorphism and implanted them with 181 Hf. Chemically prepared indium-sesquioxide powder samples were also made starting from neutron-irradiated HfCl 4 , which provides the 181 Hf PAC probes. PAC experiments were performed on each sample at room temperature, after each step of annealing programs at increasing temperatures up to the full crystallization of the samples. The results indicate that the PAC probe occupies preferentially the axially symmetric cation site. Point-charge-model calculations were performed. The calculated asymmetry parameters η were compared with those obtained in 181 Hf PAC experiments performed also on other binary oxides, showing that the symmetry of the electric-field-gradient (EFG) tensor at 181 Ta cation sites in binary oxides is mainly determined by the nearest-neighbor oxygen-ion distribution around the probe. Comparisons of the experimental results in bixbyites obtained for both PAC probes, 111 Cd and 181 Ta, show that the local EFG in bixbyites, are strongly dependent on the geometry of the sites and the electronic configuration of the probes. copyright 1997 The American Physical Society

  8. 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

  9. Formation of hydrothermal deposits at Kings Triple Junction, northern Lau back-arc basin, SW Pacific: The geochemical perspectives

    Digital Repository Service at National Institute of Oceanography (India)

    Paropkari, A.L.; Ray, D.; Balaram, V.; Prakash, L.S.; Mirza, I.H.; Satyanarayana, M.; Rao, T.G.; Kaisary, S.

    low concentration of high field strength elements (e.g. Zr, Hf, Nb and Ta) and enrichment of light REE in these sulfides indicate prominent influence of aqueous arc-magma, rich in subduction components. The oxide growths in the 'Christmas Tree' Field...

  10. High thermoelectric figure of merit by resonant dopant in half-Heusler alloys

    Science.gov (United States)

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-06-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in enhancing the ZT of n-type half-Heusler alloys based on Hf0.6Zr0.4NiSn0.995Sb0.005. The V doping was found to increase the Seebeck coefficient in the temperature range 300-1000 K, consistent with a resonant doping scheme. In contrast, Nb and Ta act as normal n-type dopants, as evident by the systematic decrease in electrical resistivity and Seebeck coefficient. The combination of enhanced Seebeck coefficient due to the presence of V resonant states and the reduced thermal conductivity has led to a state-of-the-art ZT of 1.3 near 850 K in n-type (Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005 alloys.

  11. 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)

  12. 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.

  13. Mineralogy and mineral chemistry of rare-metal pegmatites at Abu Rusheid granitic gneisses, South Eastern Desert, Egypt

    Directory of Open Access Journals (Sweden)

    Mohamed Fahmy Raslan

    2011-12-01

    -site where it ranges from 12.72 to 16.49% with an average of 14.84%. The calculated formula of the studied fergusonite is A(Y0.303 ΣREE0.014 U0.135 Th0.063 Ca0.013 Pb0.006 Si0.213 Zr0.035 Hf0.048 Fe0.105Σ0.935 B(Nb0.61 Ta0.084 Ti0.01Σ0.704 O4.The presence of uraninite (high Th, and REE contents and thorite, indicates that these minerals magmatic processes and followed by hydrothermal processes which are responsible for the precipitation of Nb-Ta multioxide minerals. Uranophane and kasolite of Abu Rusheid pegmatites are most probably originated from hydrothermalalterations of the primary uraninite. Abu Rushied pegmatites are characterized by being of ZNF-type due to their marked enrichement in Zr, Nb, and F, with a typical geochemical signature: Zr, Nb >>Ta, LREE, Th, P, F. Accordingly, the mineralized Abu Rushied pegmatite can be considered as a promising target ore for its rare metal mineralization that includes mainly Nb, Ta, Y, U, and REE together with Zr, Hf, Sn and Th.

  14. 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.)

  15. Electron transport in diborides: observation of superconductivity in ZrB sub 2

    CERN Document Server

    Gasparov, V A; Zverkova, I I; Kulakov, M P

    2001-01-01

    Results on syntheses and electron transport properties of polycrystalline samples of diborides (AB sub 2) with different transition metals atoms (A = Zr, Nb, Ta) are reported. The temperature dependences of resistivity and ac susceptibility of these samples reveal superconducting transition of ZrB sub 2 with T sub c = 5.5 K, while NbB sub 2 and TaB sub 2 have been observed nonsuperconducting up to 0.37 K. The upper critical field H sub c sub 2 (T) is linear in temperature below T sub c. At T close to T sub c H sub c sub 2 (T) demonstrates a downward curvature. It is concluded that these diborides as well as MgB sub 2 samples behave like simple metals in the normal state with usual Bloch-Grueneisen temperature dependence of resistivity and with Debye temperatures: 280, 460 and 440 K, for ZrB sub 2 , NbB sub 2 and MgB sub 2 , respectively

  16. Perturbed-angular-correlation study of the electric-field gradient in {sup 181}Hf-doped and implanted indium sesquioxide

    Energy Technology Data Exchange (ETDEWEB)

    Renteria, M.; Requejo, F.G.; Bibiloni, A.G.; Pasquevich, A.F.; Shitu, J. [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC N67, 1900 La Plata (Argentina); Freitag, K. [Institut fuer Strahlen- und Kernphysik der Universitaet Bonn, Nussallee 14-16, 5300 Bonn (Germany)

    1997-06-01

    We studied the hyperfine interactions of {sup 181}Ta in In{sub 2}O{sub 3} by means of perturbed-angular-correlation (PAC) measurements. We prepared thin films of indium sesquioxide with different degrees of initial amorphism and implanted them with {sup 181}Hf. Chemically prepared indium-sesquioxide powder samples were also made starting from neutron-irradiated HfCl{sub 4}, which provides the {sup 181}Hf PAC probes. PAC experiments were performed on each sample at room temperature, after each step of annealing programs at increasing temperatures up to the full crystallization of the samples. The results indicate that the PAC probe occupies preferentially the axially symmetric cation site. Point-charge-model calculations were performed. The calculated asymmetry parameters {eta} were compared with those obtained in {sup 181}Hf PAC experiments performed also on other binary oxides, showing that the symmetry of the electric-field-gradient (EFG) tensor at {sup 181}Ta cation sites in binary oxides is mainly determined by the nearest-neighbor oxygen-ion distribution around the probe. Comparisons of the experimental results in bixbyites obtained for both PAC probes, {sup 111}Cd and {sup 181}Ta, show that the local EFG in bixbyites, are strongly dependent on the geometry of the sites and the electronic configuration of the probes. {copyright} {ital 1997} {ital The American Physical Society}

  17. Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

    Science.gov (United States)

    Shi, Wenwu; Wang, Zhiguo

    2018-05-01

    The mechanical and electronic properties of Janus monolayer transition metal dichalcogenides MXY (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; X/Y  =  S, Se, Te) were investigated using density functional theory. Results show that breaking the out-of-plane structural symmetry can be used to tune the electronic and mechanical behavior of monolayer transition metal dichalcogenides. The band gaps of monolayer WXY and MoXY are in the ranges of 0.16–1.91 and 0.94–1.69 eV, respectively. A semiconductor to metallic phase transition occurred in Janus monolayer MXY (M  =  Ti, Zr and Hf). The monolayers MXY (M  =  V, Nb, Ta and Cr) show metallic characteristics, which show no dependence on the structural symmetry breaking. The mechanical properties of MXY depended on the composition. Monolayer MXY (M  =  Mo, Ti, Zr, Hf and W) showed brittle characteristic, whereas monolayer CrXY and VXY are with ductile characteristic. The in-plane stiffness of pristine and Janus monolayer MXY are in the range between 22 and 158 N m‑1. The tunable electronic and mechanical properties of these 2D materials would advance the development of ultra-sensitive detectors, nanogenerators, low-power electronics, and energy harvesting and electromechanical systems.

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

    Science.gov (United States)

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

    2011-10-01

    In this work, a multi-elementary Ti-10Zr-5Nb-5Ta alloy, with non-toxic alloying elements, was used to develop an accumulative roll bonding, ARB-type procedure in order to improve its structural and mechanical properties. The alloy was obtained by cold crucible semi-levitation melting technique and then was ARB deformed following a special route. After three ARB cycles, the total deformation degree per layer is about 86%; the calculated medium layer thickness is about 13 μm. The ARB processed alloy has a low Young's modulus of 46 GPa, a value very close to the value of the natural cortical bone (about 20 GPa). Data concerning ultimate tensile strength obtained for ARB processed alloy is rather high, suitable to be used as a material for bone substitute. Hardness of the ARB processed alloy is higher than that of the as-cast alloy, ensuring a better behaviour as a implant material. The tensile curve for the as-cast alloy shows an elastoplastic behaviour with a quite linear elastic behaviour and the tensile curve for the ARB processed alloy is quite similar with a strain-hardening elastoplastic body. Corrosion behaviour of the studied alloy revealed the improvement of the main electrochemical parameters, as a result of the positive influence of ARB processing. Lower corrosion and ion release rates for the ARB processed alloy than for the as-cast alloy, due to the favourable effect of ARB thermo-mechanical processing were obtained. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Contrasting origin of two A-type rhyolite series from the Early Permian Nomgon bimodal volcanic association (Southern Mongolia)

    Science.gov (United States)

    Kozlovsky, A. M.; Yarmolyuk, V. V.; Savatenkov, V. M.; Kudryashova, E. A.

    2017-08-01

    A-type rhyolites of contrasting compositions and eruption characters were revealed among two volcanic series of the Early Permian bimodal association in the Nomgon graben. Rhyolites of the lower volcanic series formed extrusions, lava domes, and tuff horizons. They had low FeOt, Zr, Hf, Nb, Ta, Y, and REE concentrations and also a moderately depleted Nd isotope composition (ɛNd( T) = 6.7-7.1). Their formation was related to anatexis of the juvenile continental crust, triggered by the thermal effect of mafic magmas. Rhyolites of the upper volcanic series formed extensive lava flows and dikes. Their composition was characterized by high FeOt, Zr, Hf, Nb, Ta, Y, and REE concentrations, and also depleted Nd isotope characteristics (ɛNd( T) = 7.7-9.0). These rhyolite melts formed under long-term crystallizational differentiation of basaltoids in the intracrustal magmatic chambers, with limited participation of crustal contamination. The source of magmas for the upper volcanic series was the sublithospheric mantle.

  20. Phase evaluation of YSZ upon doping with Ta"5"+, Ti"4"+ and Ca"2"+ with combined Raman and XRD analysis

    International Nuclear Information System (INIS)

    Bhattacharya, A.; Shklover, V.; Wermelinger, T.

    2012-01-01

    To improve the phase stability of 7YSZ (7 wt%-Y_2O_3-doped ZrO_2), it has been doped with larger (Ca"2"+) and smaller (Ti"4"+ or Ta"5"+) ions. Complementary Raman and XRD studies of these stabilized systems have been performed. The tetragonal symmetry of the Ta"5"+-ion-doped YSZ sample and the Ti"4"+-doped YSZ sample, and the cubic symmetry of Ca"2"+-doped YSZ have been confirmed both by means of XRD and Raman analyses. Raman scattering measurements show shifts of characteristic peaks when the YSZ is doped with Ta"5"+, Ti"4"+ and Ca"2"+ cations. The peak shift increased with increasing dopant concentration in the ZrO_2 lattice. The Ta-doped YSZ sample heat-treated below 1500 C contained some YTaO_4 phase, which was confirmed by means of XRD as well as by Raman spectroscopy. The effect of Ca"2"+ ion doping on the Raman peak shift was much higher than that of Y"3"+ ion doping. In this work it has been highlighted that Raman spectroscopy is a useful tool complementing XRD, for qualitative comparison of the doping effect on the lattice parameters of ZrO_2.

  1. Migration of interfacial oxygen ions modulated resistive switching in oxide-based memory devices

    Science.gov (United States)

    Chen, C.; Gao, S.; Zeng, F.; Tang, G. S.; Li, S. Z.; Song, C.; Fu, H. D.; Pan, F.

    2013-07-01

    Oxides-based resistive switching memory induced by oxygen ions migration is attractive for future nonvolatile memories. Numerous works had focused their attentions on the sandwiched oxide materials for depressing the characteristic variations, but the comprehensive studies of the dependence of electrodes on the migration behavior of oxygen ions are overshadowed. Here, we investigated the interaction of various metals (Ni, Co, Al, Ti, Zr, and Hf) with oxygen atoms at the metal/Ta2O5 interface under electric stress and explored the effect of top electrode on the characteristic variations of Ta2O5-based memory device. It is demonstrated that chemically inert electrodes (Ni and Co) lead to the scattering switching characteristics and destructive gas bubbles, while the highly chemically active metals (Hf and Zr) formed a thick and dense interfacial intermediate oxide layer at the metal/Ta2O5 interface, which also degraded the resistive switching behavior. The relatively chemically active metals (Al and Ti) can absorb oxygen ions from the Ta2O5 film and avoid forming the problematic interfacial layer, which is benefit to the formation of oxygen vacancies composed conduction filaments in Ta2O5 film thus exhibit the minimum variations of switching characteristics. The clarification of oxygen ions migration behavior at the interface can lead further optimization of resistive switching performance in Ta2O5-based memory device and guide the rule of electrode selection for other oxide-based resistive switching memories.

  2. 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.

  3. TDPAC characterization of tin oxides using 181Ta

    International Nuclear Information System (INIS)

    Moreno, M.S.; Desimoni, J.; Requejo, F.G.; Renteria, M.; Bibiloni, A.G.

    1991-01-01

    In connection with a general study of the evolution of tin-oxygen thin films, we report here on the hyperfine interactions of 181 Ta substitutionally replacing tin in the isolated phases SnO and SnO 2 . For this purpose, pure SnO pressed powder and a thin SnO 2 film were implanted with 181 Hf. In both cases, unique quadrupole frequencies were found after thermal annealing treatments. The results indicate that the following hyperfine parameters: ν Q =740.6(2.1) MHz, η=0.07(2) and ν Q =971.5(1.9) MHz, η=0.72(1) characterize 181 Ta and SnO and SnO 2 , respectively. (orig.)

  4. 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)

  5. 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.

  6. Ferroelectric properties of bilayer structured Pb(Zr0.52Ti0.48)O3/SrBi2Ta2O9 (PZT/SBT) thin films on Pt/TiO2/SiO2/Si substrates

    International Nuclear Information System (INIS)

    Zhang Wenqi; Li Aidong; Shao Qiyue; Xia Yidong; Wu Di; Liu Zhiguo; Ming Naiben

    2008-01-01

    Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) thin films with large remanent polarization and SrBi 2 Ta 2 O 9 (SBT) thin films with excellent fatigue-resisting characteristic have been widely studied for non-volatile random access memories, respectively. To combine these two advantages , bilayered Pb(Zr 0.52 Ti 0.48 )O 3 /SrBi 2 Ta 2 O 9 (PZT/SBT) thin films were fabricated on Pt/TiO 2 /SiO 2 /Si substrates by chemical solution deposition method. X-ray diffraction patterns revealed that the diffraction peaks of PZT/SBT thin films were completely composed of PZT and SBT, and no other secondary phase was observed. The electrical properties of the bilayered structure PZT/SBT films have been investigated in comparison with pure PZT and SBT films. PZT/SBT bilayered thin films showed larger remanent polarization (2P r ) of 18.37 μC/cm 2 than pure SBT and less polarization fatigue up to 1 x 10 9 switching cycles than pure PZT. These results indicated that this bilayered structure of PZT/SBT is a promising material combination for ferroelectric memory applications

  7. Role of α precipitates in flux pinning in a superconducting Ti-Nb-Ta-Zr quaternary alloy

    International Nuclear Information System (INIS)

    Osamura, K.; Tsunekawa, H.; Monju, Y.; Horiuchi, T.

    1984-01-01

    The precipitation behaviour of the α phase in a Ti-27 at.% Nb-6 at% Ta-6 at% Zr alloy has been investigated mainly by means of small-angle X-ray scattering measurements, by which the average size and number density of α precipitates were determined. The alloy was isothermally aged at 643 K after cold-rolling to various thicknesses. During ageing the average size of α precipitates increased but the number density decreased. The effect of cold-rolling was to increase the volume fraction of α precipitates. The superconducting critical current density was measured for the same specimens after the metallographical investigation. The specific pinning force produced by α precipitates, which corresponds to the global pinning force density divided by the number density of precipitates, was found to be proportional to the cube of the particle radius. It was found that the global pinning force density can be described using a scaling rule in terms of the volume fraction of α precipitates and the reduced magnetic field. The dominant global pinning force in the present foil specimens, as well as in commercial multifilamentary wires, is attributed to α precipitates. Dislocations and their secondary substructure introduced by cold-working also contributed to flux pinning, and could offer nucleation sites for the α phase. (author)

  8. Niobium Nb and tantalum Ta

    International Nuclear Information System (INIS)

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

    1978-01-01

    The basic methods for determining niobium and tantalum in various objects are described. Nb and Ta are separated with the aid of N-benzoyl-N-phenylhydroxylamine by precipitating Nb(5) from a tartaric acid solution with subsequent precipitation of Ta from the filtrate. The gravimetric determination of Nb and Ta in steels is based on their quantitative separation from a diluted solution by way of hydrolysis with subsequent after-precipitation with phenylarsonic acid (in the absence of W). The gravimetric determination of Nb in the presence of W is carried out with the aid of Cupferron. To determine Nb in its carbide, Nb(5) reduced to Nb(3) is titrated with a solution of K 2 Cr 2 O 7 in the presence of phenyl-anthranilic acid. The photometric determination of Nb in tungsten-containing steels and in ores containing Ti, W, Mo and Cr is based on the rhodanide method. Nb is determined in alloys with Zr and Ti photometrically with the aid of 4-(2-pyridylazo)-resorcin and in alloyed steels with the aid of benzhydroxamic acid. The latter complex is extracted with chloroform. This method is used to determine Nb in rocks. The photometric determination of Ta in TiCl 4 is carried out with the aid of pyrogallol, in commercial niobium with the aid of methyl violet, and in steel with the aid of 4-(-pyridylazo)-resorcin. Also described is the polarographic determination of Nb in tantalum pentoxide

  9. 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.

  10. Thermal expansion of quaternary nitride coatings

    Science.gov (United States)

    Tasnádi, Ferenc; Wang, Fei; Odén, Magnus; Abrikosov, Igor A.

    2018-04-01

    The thermal expansion coefficient of technologically relevant multicomponent cubic nitride alloys are predicted using the Debye model with ab initio elastic constants calculated at 0 K and an isotropic approximation for the Grüneisen parameter. Our method is benchmarked against measured thermal expansion of TiN and Ti(1-x)Al x N as well as against results of molecular dynamics simulations. We show that the thermal expansion coefficients of Ti(1-x-y)X y Al x N (X  =  Zr, Hf, Nb, V, Ta) solid solutions monotonously increase with the amount of alloying element X at all temperatures except for Zr and Hf, for which they instead decrease for y≳ 0.5 .

  11. 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

  12. Magnetic susceptibility as a method of investigation of short-range order in strongly nonstoichiometric carbides

    International Nuclear Information System (INIS)

    Nazarova, S.Z.; Gusev, A.I.

    2001-01-01

    Magnetic susceptibility in disordered and ordered carbides of transition metals (M = Ti, Zr, Hf, Nb, Ta) was studied, the results are generalized. It was ascertained that the change in carbide susceptibility induced by deviation from stoichiometry stems from specific features of electronic spectra of the compounds. The use of magnetic susceptibility for determining structural disorder-order transitions is discussed. It is shown that change in the contribution made by orbital paramagnetism, resulting from short-range order formation, is the reason of decrease in susceptibility of nonstoichiometric carbides during the ordering. Experimentally obtained data on susceptibility permitted evaluating short- and far-range order parameters in NbC y , TaC y , TiC y and HfC y carbides [ru

  13. Fission of Al, Ti, Co, Zr, Nb, Ag, In, Nd, Sm, and Ta nuclei induced by 0.8-1.8 GeV photons

    International Nuclear Information System (INIS)

    Lima, D.A. de; Martins, J.B.; Tavares, O.A.P.

    1989-01-01

    Samples of Al, Ti, Co, Zr, Nb, Ag, In, Nd, Sm, and Ta elements in contact with solid state nuclear track detectors were exposed to 0.8-1.8 GeV bremsstrahlung beams at the 2.5-GeV Electron Synchrotron of the Bonn University. The detectors were processed to produce visible fission tracks for track analysis with optical microscopes. Absolute mean cross section per photon and fissility were evaluated. Results are discussed and compared with other photofission data as well as with estimates from the current fission models. A broad minimum found for nuclear fissility of 10 -4 -10 -3 covering the range 15 approx Z 2 /A approx 25 seems to confirm the predictions from the models. For Al and Ti nuclei the probability of fission amounts to approx 10 -1 . (author) [pt

  14. 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

  15. Measurement of the magnetic hyperfine field at the 181 Ta site in nickel matrix

    International Nuclear Information System (INIS)

    Saxena, R.N.; Carbonari, A.W.; Pendl Junior, W.; Attili, R.N.; Kenchian, G.; Soares, J.C.A.C.R.; Moreno, M.S.

    1990-01-01

    The hyperfine magnetic field on the Ta 181 nucleus were determined using the gamma-gamma perturbed angular correlation method, on a nickel matrix, with a 133-482 KeV cascade from the Hf- 181 beta minus decay. (L.C.J.A.)

  16. Abundances of La and Ta Through ν-Nucleosynthesis in 20M ...

    Indian Academy of Sciences (India)

    Solar mass fractions of the seeds La139, Ta181, Ba138 and Hf180 are taken for calculation. They are assumed to be produced in ... of these elements by extending the earlier works on neutrino nucleosynthesis in massive stars. .... ing the shock heating of the layers surrounding the collapsing core of supernova progenitor.

  17. 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.

  18. 2,3,4-Trihydroxyflourones immobilized on cellulose matrices in test methods for determining rare elements

    International Nuclear Information System (INIS)

    Amelin, V.G.; Abramenkova, O.I.

    2008-01-01

    It was shown that 2,3,7-trihydroxyfluorones immobilized by adsorption on cellulose matrices can be used as reagents for the test determination of Mo(Vl), Ti(lV), Ge(lV), Hf(lV), Nb(V), Ta(V), W(VI), Bi(III), V(IV), and Zr(IV). The change of the protolytic and complexing properties of trihydroxyfluorones immobilized on cellulose matrices was considered in comparison to corresponding properties in a solution. It was found that the reactions of trihydroxyfluorones with rare elements on cellulose matrices and in a solution exhibit similar effects upon the addition of cetylpyridinium. These effects are the bathochromic shift of the absorption maxima of the reagents and their complexes with analytes and the extension of the range of optimum acidity for complex formation. The complexation of salicylfluorones with the titanium(IV) in solution and on cellulose paper was studied by IR spectrometry. Phenylfluorone immobilized on a mixed-fiber cloth as used in test determinations of (mg/L) 0.05-5 Ti(IV), V(IV), Hf(IV), Nb(V), and Mo(VI); 0.01-5 Ge(IV) and Zr(IV); 0.05-1 Bi(III) and W(VI); and 0.1-5 Ta(V) by the color intensity of the indicator matrix after passing through 20 mL of a analyzable solution. It was shown that phenylfluorone immobilized on cellulose paper can be used to determine (mg/L) 0.05-50 Ti(IV), 0.5-1000 Ge(IV), 0.5-500 Zr(IV), 5-200 Bi(III), 0.1-50 Mo(VI), 0.1-1000 V(IV), 0.1-100 Nb(V), 0.1-800 Hf(IV), 1-100 Ta(V), and 1-800 W(VI) by the length of the colored zone of a test strip after it was brought into contact with a test solution [ru

  19. Phonon broadening in high entropy alloys

    Science.gov (United States)

    Körmann, Fritz; Ikeda, Yuji; Grabowski, Blazej; Sluiter, Marcel H. F.

    2017-09-01

    Refractory high entropy alloys feature outstanding properties making them a promising materials class for next-generation high-temperature applications. At high temperatures, materials properties are strongly affected by lattice vibrations (phonons). Phonons critically influence thermal stability, thermodynamic and elastic properties, as well as thermal conductivity. In contrast to perfect crystals and ordered alloys, the inherently present mass and force constant fluctuations in multi-component random alloys (high entropy alloys) can induce significant phonon scattering and broadening. Despite their importance, phonon scattering and broadening have so far only scarcely been investigated for high entropy alloys. We tackle this challenge from a theoretical perspective and employ ab initio calculations to systematically study the impact of force constant and mass fluctuations on the phonon spectral functions of 12 body-centered cubic random alloys, from binaries up to 5-component high entropy alloys, addressing the key question of how chemical complexity impacts phonons. We find that it is crucial to include both mass and force constant fluctuations. If one or the other is neglected, qualitatively wrong results can be obtained such as artificial phonon band gaps. We analyze how the results obtained for the phonons translate into thermodynamically integrated quantities, specifically the vibrational entropy. Changes in the vibrational entropy with increasing the number of elements can be as large as changes in the configurational entropy and are thus important for phase stability considerations. The set of studied alloys includes MoTa, MoTaNb, MoTaNbW, MoTaNbWV, VW, VWNb, VWTa, VWNbTa, VTaNbTi, VWNbTaTi, HfZrNb, HfMoTaTiZr.

  20. Metal Oxide-Supported Platinum Overlayers as Proton-Exchange Membrane Fuel Cell Cathodes

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir; Abild-Pedersen, Frank; Studt, Felix

    2012-01-01

    We investigated the activity and stability of n=(1, 2, 3) platinum layers supported on a number of rutile metal oxides (MO2; M=Ti, Sn, Ta, Nb, Hf and Zr). A suitable oxide support can alleviate the problem of carbon corrosion and platinum dissolution in Pt/C catalysts. Moreover, it can increase t...

  1. 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.

  2. 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

  3. The structure of Ti-Ta welded joint and microhardness distribution over the cross section

    Science.gov (United States)

    Fomin, Aleksandr A.; Koshuro, Vladimir A.; Egorov, Ivan S.; Shelkunov, Andrey Yu.; Zakharevich, Andrey M.; Steinhauer, Natalia N.; Rodionov, Igor V.

    2018-04-01

    In order to create highly efficient medical systems and measuring biosensors, an approach is frequently used, in which the constructive basis of the product is made of a high-strength biocompatible material (titanium, stainless steel), and the functional layer is made of a more expensive metal (Ta, Zr, Au, Pt, etc.) or ceramics (Ta2O5, ZrO2, CaTiO3, etc.). For a strong connection, e.g. titanium with tantalum, it is proposed to use diffusion butt welding. The heat generated by passing electric current (I is not less than 1.95-2.05 kA, P - not less than 9 kW, t = 250-1000 ms) and applied pressure (30-50 MPa) ensure an integral connection. To improve the quality of the joint, i.e. to exclude cracks and tightness, it is necessary to choose the right combination of the thickness of the welded parts. It was established that when titanium (2 mm thick) and tantalum (0.1-0.5 mm) are combined, a better Ti-Ta welded joint is formed when tantalum foil is used (0.5 mm). Here the distribution of hardness over the cross section of the sample, including the welding areas, is uniform and has no extremely high residual stresses of the tensile type.

  4. Binary and tertiary reaction cross-sections of V, Cr, Mn, Fe, Ni, Cu, Zr, Nb, Mo, Ta, W, Pt and their isotopes

    International Nuclear Information System (INIS)

    Garg, S.B.

    1982-01-01

    Neutron induced binary and tertiary reaction cross-sections have been evaluated for V, Cr, Mn, Fe, Ni, Cu, Zr, Nb, Mo, Ta, W, Pt and their isotopes in the 'energy range 0.5 MeV to 20 MeV using the nuclear statistical empirical model. The reactions considered are (n,n'), (n,2n), (n,3n), (n,p), (n,d), (n,t), (n, 3 He), (n,α), (n,np), (n,nd), (n,nt), (n,n 3 He), (n,nα), (n,pn), (n,2p), (n,ν), (n,αp), (n,dn) and (n,pα). Most of the above mentioned elements are used as structural materials in nuclear reactors and the measured cross-section data for the above listed reactions are seldom available for the radiation damage and safety analysis. With a view to providing these data, this nuclear model based evaluation has been undertaken. The associated uncertainties in the cross-sections and their fission averages have also been evaluated. (author)

  5. Investigation of microstructure and properties of ultrathin graded ZrNx self-assembled diffusion barrier in deep nano-vias prepared by plasma ion immersion implantation

    Science.gov (United States)

    Zou, Jianxiong; Liu, Bo; Lin, Liwei; Lu, Yuanfu; Dong, Yuming; Jiao, Guohua; Ma, Fei; Li, Qiran

    2018-01-01

    Ultrathin graded ZrNx self-assembled diffusion barriers with controllable stoichiometry was prepared in Cu/p-SiOC:H interfaces by plasma immersion ion implantation (PIII) with dynamic regulation of implantation fluence. The fundamental relationship between the implantation fluence of N+ and the stoichiometry and thereby the electrical properties of the ZrNx barrier was established. The optimized fluence of a graded ZrN thin film with gradually decreased Zr valence was obtained with the best electrical performance as well. The Cu/p-SiOC:H integration is thermally stable up to 500 °C due to the synergistic effect of Cu3Ge and ZrNx layers. Accordingly, the PIII process was verified in a 100-nm-thick Cu dual-damascene interconnect, in which the ZrNx diffusion barrier of 1 nm thick was successfully self-assembled on the sidewall without barrier layer on the via bottom. In this case, the via resistance was reduced by approximately 50% in comparison with Ta/TaN barrier. Considering the results in this study, ultrathin ZrNx conformal diffusion barrier can be adopted in the sub-14 nm technology node.

  6. Influence of cold rolling and ageing treatment on microstructure and mechanical properties of Ti-30Nb-5Ta-6Zr alloy.

    Science.gov (United States)

    Wang, Yu; Zhao, Juan; Dai, Shijuan; Chen, Feng; Yu, Xinquan; Zhang, Youfa

    2013-11-01

    In this study, the relationship between deformation mechanism and rolling reductions was investigated, and the effects of deformation reductions on the microstructure and mechanical properties of the alloys both cold rolled and aged were revealed. It was found that the equiaxed β grains of the Ti-30Nb-5Ta-6Zr alloy have elongated gradually with increasing the deformation reduction. The deformation mechanism of dislocation slipping, deformed twins and SIM α″ phase appeared in the alloy deformed by 23% and 66%. The type of twins of the alloy deformed by 23% and 66% are {112}〈111〉 and {332}〈113〉 respectively. When the reduction was up to 85%, dislocation slipping was the main mode of deformation accompanying with SIM α″ phase occurred. With increasing deformation reduction, the average size of lenticular precipitation α phase decreased gradually. The strength of cold rolled and aged samples increased with increasing deformation reduction, while elastic modulus decreased. Due to the precipitation α phase, the elastic modulus of aged samples was higher than cold rolled. © 2013 Elsevier Ltd. All rights reserved.

  7. 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 ...

  8. Effects of MAR-M247 substrate (modified) composition on coating oxidation coating/substrate interdiffusion. M.S. Thesis. Final Report; [protective coatings for hot section components of gas turbine engines

    Science.gov (United States)

    Pilsner, B. H.

    1985-01-01

    The effects of gamma+gamma' Mar-M247 substrate composition on gamma+beta Ni-Cr-Al-Zr coating oxidation and coating/substrate interdiffusion were evaluated. These results were also compared to a prior study for a Ni-Cr-Al-Zr coated gamma Ni-Cr-Al substrate with equivalent Al and Cr atomic percentages. Cyclic oxidation behavior at 1130 C was investigated using change in weight curves. Concentration/distance profiles were measured for Al, Cr, Co, W, and Ta. The surface oxides were examined by X-ray diffraction and scanning electron microscopy. The results indicate that variations of Ta and C concentrations in the substrate do not affect oxidation resistance, while additions of grain boundary strengthening elements (Zr, Hf, B) increase oxidation resistance. In addition, the results indicate that oxidation phenomena in gamma+beta/gamma+gamma' Mar-M247 systems have similar characteristics to the l gamma+beta/gamma Ni-Cr-Al system.

  9. Electric quadrupole moments and strong interaction effects in pionic atoms of 165Ho, 175Lu, 176Lu, 179Hf and 181Ta

    International Nuclear Information System (INIS)

    Olaniyi, B.; Shor, A.; Cheng, S.C.; Dugan, G.; Wu, C.S.

    1981-05-01

    The effective quadrupole moments Q sub(eff) of the nuclei of 165 Ho, 175 Lu, 176 Lu, 179 Hf and 181 Ta were accurately measured by detecting the pionic atom 5g-4f x-rays of the elements. The spectroscopic quadrupole moments, Q sub(spec), were obtained by correcting Q sub(eff) for nuclear finite size effect, distortion of the pion wave function by the pion-nucleus strong interaction, and contribution to the energy level splittings by the strong interaction. The intrinsic quadrupole moments, Q 0 , were obtained by projecting Q sub(spec) into the frame of reference fixed on the nucleus. The shift, epsilon 0 , and broadening, GAMMA 0 , of the 4f energy level due to the strong interactions between the pion and the nucleons for all the elements were also measured. Theoretical values of epsilon 0 and GAMMA 0 were calculated and compared to the experimental values. The measured values of Q 0 were compared with the existing results in muonic and pionic atoms. The measured values of epsilon 0 and GAMMA 0 were also compared with existing values. (auth)

  10. 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)

  11. 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.

  12. Carbonitrides in the system Ta-TaC-TaN

    International Nuclear Information System (INIS)

    Ritzhaupt-Kleissl, H.J.

    1975-04-01

    Specimens have been prepared in the binary section TaC-TaN and the carbon-rich region of the Ta-TaC-TaN system by hot pressing and subsequent homogenisation. It was possible to prepare nitrogen-rich carbonitrides by homogenizing them at 1,800 0 C under a nitrogen-pressure of 50 at up to the composition of 70 mol% TaN/30 mol% TaC. Those carbonitrides containing less than 25 at% nitrogen could be prepared by homogenisation at 2,000 0 C under a nitrogen-pressure of 600 Torr. Subsequent ageing at temperatures of 1,200, 1,300 and 1,400 0 C in high vacuum as well as at 1 at nitrogen resulted in the appearance of precipitations of epsilon-TaN, β-Ta 2 (C,N) and of the zeta-phase. The type amount and shape of the precipitated phases are dependent on the ageing conditions and on the composition the specimens. Single phase specimens with compositions close to the non-metal deficient phase boundary as well as multi-phase carbonitrides with high nitrogen contents and very fine precipitates showed values of the Vickers-hardness up to 3,000 kp/mm 2 at room temperature. With regard to the hot hardness up to a temperature of 1,300 0 C specimens aged in high vacuum were superior to those which were only homogenized as well as to those aged under a nitrogen-pressure of 1 at. On an average the best hardness-values have been found at room temperature as well as at temperatures up to 1,300 0 C for carbonitrides consisting of 50 mol% TaC/50 mol% TaN after homogenisation and subsequent ageing for 40 h at 1,300 0 C. (orig.) [de

  13. Comparative study of Ta, TaN and Ta/TaN bi-layer barriers for Cu-ultra low-k porous polymer integration

    International Nuclear Information System (INIS)

    Yang, L.Y.; Zhang, D.H.; Li, C.Y.; Foo, P.D.

    2004-01-01

    Tantalum (Ta), TaN and bilayer Ta/TaN barriers deposited on ultra-low-k porous polymer (ULKPP) and the thermal stability of their structures are comparatively investigated using various techniques. The Ta/ultra-low-k polymer shows the smallest sheet resistance, but the poorest thermal stability, while TaN on the ultra-low-k polymer shows the highest resistance but the best thermal stability. The bi-layer Ta/TaN barrier takes the advantage of both Ta and TaN barriers and gives reasonable resistance and thermal stability. The electrical tests indicate that the Cu lines with the TaN and bi-layer Ta/TaN barriers exhibit the smaller leakage current and higher breakdown voltage compared with the Cu lines with the Ta barrier. The better thermal stability of the TaN and the bi-layer Ta/TaN barriers is mainly due to the amorphous/nanostructure and less grain boundaries of the barriers. In addition, the texture discontinuity at the Ta/TaN interfaces in the bi-layers barrier also plays an important role in reducing mutual diffusion of Ta atoms in the Ta barrier and some atoms in the ultra-low-k porous polymer

  14. Mineral chemistry and geochemistry of ophiolitic metaultramafics from Um Halham and Fawakhir, Central Eastern Desert, Egypt

    Science.gov (United States)

    Abdel-Karim, Abdel-Aal M.; Ali, Shehata; El-Shafei, Shaimaa A.

    2018-03-01

    This study is focused on ophiolitic metaultramafics from Um Halham and Fawakhir, Central Eastern Desert of Egypt. The rocks include serpentinized peridotites, serpentinites together with talc- and quartz-carbonates. The primary spinel relict is Al-chromite [Cr# > 60], which is replaced by Cr-magnetite during metamorphism. The high Cr# of Al-chromites resembles supra-subduction zone (SSZ) peridotites and suggests derivation from the deeper portion of the mantle section with boninitic affinity. These mantle rocks equilibrated with boninitic melt have been generated by high melting degrees. The estimated melting degrees ( 19-24%) lie within the range of SSZ peridotites. The high Cr# of spinel and Fo content of olivine together with the narrow compositional range suggest a mantle residual origin. Serpentinized peridotite and serpentinites have low Al2O3/SiO2 ratios (mostly serpentinization process. Moreover, they have very low Nb, Ta, Zr and Hf concentrations along with sub-chondritic Nb/Ta (0.3-16) and Zr/Hf (mostly 1-20) ratios further confirming that their mantle source was depleted by earlier melting extraction event. The high chondrite normalized (La/Sm)N ratios (average 10) reflect input of subduction-related slab melts/fluids into their mantle source.

  15. The Effect of 24c-Site (A) Cation Substitution on the Tetragonal-Cubic Phase Transition in Li7-xLa3-xAxZr2O12 Garnet-Based Ceramic Electrolyte

    Science.gov (United States)

    2013-01-01

    with Al [16,20]. In KrogereVink notation, the relationships for Ta and Nb substitution for Zr are as follows [20,22,23]: Ta$ Zr ¼ V0Li (3) Nb ...garnet phase. < CeO2 precipitation at grain boundaries increases grain boundary resistance . < Super-valent cation substitution likely stabilizes the...Introduction Li-ion batteries have played a vital role in the development of current generation mobile devices, microelectronics and electric vehicles [1]. Due

  16. 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

  17. Extraction of scandium by aromatic carboxylic acids

    Energy Technology Data Exchange (ETDEWEB)

    Kamenev, V F; Fadeeva, V I [Moskovskij Gosudarstvennyj Univ. (USSR)

    1977-04-01

    Extraction of complex compounds af scandium with salicylic, phenyl- and diphenylacetic acids with chloroform solutions of tetraethyldiamideheptylphosphate as a donor-active additive in relation to the pH and reagent concentration has been studied. Extraction of salicylates of some elements (Ta, Nb, Zr, Hf, Mo) by solutions of tetraethyldiamideheptylphosphate in chloroform has been investigated, and the possibility of their extraction separation from scandium is shown.

  18. Extraction of scandium by aromatic carboxylic acids

    International Nuclear Information System (INIS)

    Kamenev, V.F.; Fadeeva, V.I.

    1977-01-01

    Extraction of complex compounds af scandium with salicylic, phenyl- and diphenylacetic acids with chloroform solutions of tetraethyldiamideheptylphosphate as a donor-active additive in relation to the pH and reagent concentration has been studied. Extraction of salicylates of some elements (Ta, Nb, Zr, Hf, Mo) by solutions of tetraethyldiamideheptylphosphate in chloroform has been investigated, and the possibility of their extraction separation from scandium is shown

  19. Internal oxidation of laminated ternary Ru–Ta–Zr coatings

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yung-I, E-mail: yichen@mail.ntou.edu.tw; Lu, Tso-Shen

    2015-10-30

    Highlights: • Internal oxidation was observed in annealed and laminated Ru–Ta–Zr coatings. • The oxidized Ru–Ta–Zr coatings comprised three alternately stacked sublayers. • Correlated variations of O{sup 2-} and Zr{sup 4+} binding energies were verified in XPS spectra. - Abstract: Researchers have observed the internal oxidation phenomenon in binary alloy coatings when developing refractory alloy coatings for protective purposes by conducting annealing at high temperatures and in oxygen-containing atmospheres. The coatings were assembled using cyclical gradient concentration deposition during cosputtering by employing a substrate holder rotating at a slow speed. The internally oxidized zone demonstrated a laminated structure, comprising alternating oxygen-rich and oxygen-deficient layers stacked in a general orientation. In the current study, Ru–Ta–Zr coatings were prepared with various stacking sequences during cosputtering. The Ru–Ta–Zr coatings were annealed at 600 °C in an atmosphere continuously purged with 1% O{sub 2}–99% Ar mixed gas for 30 min. A transmission electron microscope was used to examine the periods of the laminated layers and crystallinity of the annealed coatings. Depth profiles produced using an Auger electron spectroscope and X-ray photoelectron spectroscope were used to certify the periodic variation of the related constituents and chemical states of the elements, respectively. The results indicate that the internally oxidized ternary coatings are stacked of Ru-, Ta{sub 2}O{sub 5}-, and ZrO{sub 2}-dominant sublayers and that the stacking sequences of the sublayers affect the crystalline structure of the coatings. Zr is oxidized preferentially in the Ru–Ta–Zr coatings, increasing the surface hardness of the oxidized coatings.

  20. Integration of geophysical and geological data for delimitation of mineralized zones in Um Naggat area, Central Eastern Desert, Egypt

    Directory of Open Access Journals (Sweden)

    Ibrahim Gaafar

    2015-06-01

    Interpretations of the aeromagnetic maps delineated four regional structural trends oriented due NNW, NW, ENE and E–W directions. They are identified as strike-slip faults, which coincide well with field observations, where NW-trending faults cut and displace right laterally ENE-trending older ones. The interaction between these two strike-slip fault systems confining the albite granite is easily identified on the regional data presenting longer wavelength anomalies, implying deep-seated structures. They could represent potential pathways for migration of enriched mineralized fluids. Geochemically, albite granites of peraluminous characteristics that had suffered extensive post-magmatic metasomatic reworking, resulted into development of (Zr, Hf, Nb, Ta, U, Th, Sn and albite-enriched and greisenized granite body of about 600 m thick, and more than 3 km in strike length. The albite granite is characterized by sharp increase in average rare metal content: Zr (830 ppm, Hf (51 ppm, Nb (340 ppm, Ta (44 ppm, and U (90 ppm. Thorite, uranothorite, uraninite and zircon are the main uranium-bearing minerals of magmatic origin within the enclosing granite. However, with respect to Zr, Nb, and Ta, the albitized granite can be categorized as rare metal granite. The integration of airborne geophysical (magnetic and γ-ray spectrometric, geological, geochemical and mineralogical data succeeded in assigning the albite granite of Um Naggat pluton as a mineralized zone. This zone is characterized by its high thorium and uranium of hydrothermal origin as indicated by its low Th/U ratio, with rare metals mineralization controlled by two main structural trends in the NW- and ENE-directions.

  1. 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.

  2. Step tunneling enhanced asymmetry in metal-insulator-insulator-metal (MIIM) diodes for rectenna applications

    Science.gov (United States)

    Alimardani, N.; Conley, J. F.

    2013-09-01

    We combine nanolaminate bilayer insulator tunnel barriers (Al2O3/HfO2, HfO2/Al2O3, Al2O3/ZrO2) deposited via atomic layer deposition (ALD) with asymmetric work function metal electrodes to produce MIIM diodes with enhanced I-V asymmetry and non-linearity. We show that the improvements in MIIM devices are due to step tunneling rather than resonant tunneling. We also investigate conduction processes as a function of temperature in MIM devices with Nb2O5 and Ta2O5 high electron affinity insulators. For both Nb2O5 and Ta2O5 insulators, the dominant conduction process is established as Schottky emission at small biases and Frenkel-Poole emission at large biases. The energy depth of the traps that dominate Frenkel-Poole emission in each material are estimated.

  3. 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 .

  4. Superconductivity and specific heat measurements in V--Nb--Ta ternary alloys

    International Nuclear Information System (INIS)

    Wang, R.Y.P.

    1977-01-01

    The correlation between the superconducting transition temperature T/sub c/ with electronic specific heat coefficient γ and Debye temperature theta/sub D/ in some isoelectronic ternary V--Nb--Ta alloys is investigated. It has been known that the variation of theta/sub D/ with concentration in both V--Nb and V--Ta systems is clearly of the same curvature as that of T/sub c/ and γ. In Ta--Nb alloys, however, over most of the concentration range theta/sub D/ seems to have a slight negative curvature while T/sub c/ and γ curve upwards. (But beyond approx. 80 at. % Nb theta/sub D/ rises rapidly to the pure Nb value.) By choosing alloys along a line connecting Ta and V 25 --Nb 75 which is close to the Nb--Ta side of the Gibb's triangle the extent to which the Nb--Ta type of behavior persists in this ternary system can be estimated. A model proposed by Miedema that takes into account the variation of properties caused by possible charge transfer among constituent atoms in an alloy has been found to apply almost quantitatively for nearly all binary alloy systems whose experimental data are available, including those for which Hopfield's method fails. A previous test of the extension of Miedema's empirical model into ternary alloys shows qualitatively correct behavior for intra-row Zr/sub x/Nb/sub 1-2x/Mo/sub x/ alloys. The good agreement between the predicted values of γ and T/sub c/ and the experimental values in the inter-row ternary V--Nb--Ta system studied here gives another and better test of the application of Miedema's model

  5. The Electrochemical Stability in NaCl Solution of Nanotubes and Nanochannels Elaborated on a New Ti-20Zr-5Ta-2Ag Alloy

    Directory of Open Access Journals (Sweden)

    Claudiu Constantin Manole

    2015-01-01

    Full Text Available Nanotubular and nanochannels structures were fabricated via anodizing on a new alloy Ti-20Zr-8Ta-2Ag. A continuous coating of connected tubes/channels can be observed in the SEM micrographs forming tubular structures with diameters in hundreds of nm, as well as smaller tubes, with diameters in tens of nm. In the case of nanochannels structure, the diameters are smaller and wall thicknesses significantly thinner than in nanotubes. Wettability measurements indicate a decrease of contact angles in both cases of nanotubes and nanochannels, but the increase of hydrophilic character is more significant in the case of nanochannels. The Tafel procedure and electrochemical impedance spectroscopy tests performed in NaCl 0.9% solution indicate a better stability for the nanostructured surfaces compared to untreated alloy, the surface with nanochannels offering higher corrosion resistance. Spectral UV-VIS determination has confirmed Ag metallic presence, opening the door for applications not only in tissue engineering but for water splitting and the photoreduction of CO2 as well.

  6. C-V analysis at variable frequency of MOS structures with different gates, containing Hf-Doped Ta2O5

    International Nuclear Information System (INIS)

    Stojanovska-Georgievska, L.; Novkovski, N.; Atanassova, E.

    2012-01-01

    The quality of the interface between the insulating layer and the Si substrate in contemporary submicron MOS technology is a critical issue for device functioning. It is characterized through the electrically active defect centers, known as interface states. Their response to the frequency is discussed here, by analyzing capacitance-voltage and conductance-voltage curves. The C-V method is preferred in many cases, since it offers easy measurement, and it is applied to extract information about interface traps and fixed oxide charge, at different frequencies. This technique, related with frequency dependent G-V measurements, can be very useful in characterizing charge trapped in the dielectric and at the interface with Si. By extracting the value of frequency dependent flat band voltage, we have obtained the fixed oxide charges at flat band condition. A comparison between the results obtained by two different methods is made. The samples that are studied are metal-insulator-semiconductor (MIS) structures that include high-k dielectric as insulating layer (Hf doped Ta 2 O 5 ), with thickness of 8 nm, with different metal used as gate electrode. Here the influence of the top electrode on the generation and behavior of the traps in the oxide layer is discussed. The results show that the value of metal work function of the gate material is an issue that should be considered very carefully, especially in the case of high work function metal gates, when generation of extra positive charge than in the case of other metals is observed. (Author)

  7. 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.

  8. 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.

  9. Brillouin scattering, DSC, dielectric and X-ray diffraction studies of phase transitions in antiferroelectric PbHfO{sub 3}:Sn

    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); Kim, Tae Hyun [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Gągor, Anna [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Jankowska-Sumara, Irena [Institute of Physics, Pedagogical University, ul. Podchorążych 2, 30-084 Kraków (Poland); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warszawa (Poland); Kojima, Seiji [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

    2015-02-15

    Highlights: • Phase transition mechanisms were studied in antiferroelectric PbHf{sub 0.975}Sn{sub 0.025}O{sub 3.} • Acoustic phonons showed anomalies at 472 and 426 K due to phase transitions. • Brillouin data showed evidence for presence of polar clusters in paraelectric phase. • An order-disorder mechanism of the PE to AFE2 transition was proved. - Abstract: Specific heat, dielectric, powder X-ray diffraction and Brillouin scattering studies of phase transitions in antiferroelectric PbHf{sub 0.975}Sn{sub 0.025}O{sub 3} crystal were performed. The specific heat data revealed clear anomalies at T{sub 1} = 473.5 and T{sub 2} = 426.3 K on cooling, which could be attributed to onset of first order phase transitions from the paraelectric (PE) phase to an intermediate antiferroelectric phase (AFE2) and the AFE2 phase to another antiferroelectric phase (AFE1), respectively. The estimated entropy changes at T{sub 1} and T{sub 2} pointed to mainly an order-disorder and displacive character of these transitions, respectively. X-ray diffraction data showed a complex superstructure of the intermediate phase with a = 11.895(6) Å, b = 11.936(4) Å, c = 8.223(3) Å at 453 K. Brillouin studies revealed pronounced softening of longitudinal acoustic (LA) mode in the PE phase associated with its broadening. The broadening and softening exhibited maximum values at T{sub 1}. Additional acoustic anomalies, that is, abrupt frequency shifts for LA and transverse acoustic (TA) modes were also observed at T{sub 2}. Brillouin scattering data also showed presence of a broad central peak (CP) that exhibited highest intensity at T{sub 1}. The observed temperature dependences of acoustic modes and CP indicate order-disorder character of the FE to AFE2 phase transition and importance of polar precursor clusters in the PE phase. The obtained data also suggest that the intermediate antiferroelectric phases in Sn{sup 4+} doped PbHfO{sub 3} and PbZrO{sub 3} may have very similar structures

  10. Late Paleozoic to Mesozoic extension in southwestern Fujian Province, South China: Geochemical, geochronological and Hf isotopic constraints from basic-intermediate dykes

    Directory of Open Access Journals (Sweden)

    Sen Wang

    2017-05-01

    Full Text Available The tectonic evolution of SE China block since late Paleozoic remains debated. Here we present a new set of zircon U-Pb geochronological, Lu-Hf isotopic data and whole-rock geochemistry for two stages of basic-intermediate dykes from the southwestern Fujian. The samples were collected from the NE-trending (mainly diabases and NW-trending (mainly diabasic diorites dykes and yielded zircon U-Pb ages of 315 and 141 Ma, with εHf (t values of −8.90 to 7.49 and −23.39 to −7.15 (corresponding to TDM2 values of 850 to 1890 Ma and 737 to 2670 Ma, respectively. Geochemically these rocks are characterized by low TiO2 (0.91–1.73 wt.% and MgO (3.04–7.96 wt.%, and high Al2O3 (12.5–16.60 wt.% and K2O (0.60–3.63 wt.%. Further they are enriched in LREEs and LILEs (Rb, Ba, Th and K, but depleted in HFSEs (Nb, Ta and Zr. The tectonic discrimination analysis revealed that the dykes were formed in an intraplate extensional environment. However, the NW trending dykes show crust-mantle mixed composition, which indicate an extensional tectonic setting with evidence for crustal contamination. The SE China block experienced two main stages of extensional tectonics from late Carboniferous to early Cretaceous. The tectonic evolution of the SE China block from late Devonian to Cretaceous is also evaluated.

  11. Elastic and anelastic relaxation behaviour of perovskite multiferroics II: PbZr0.53Ti0.47O3 (PZT)-PbFe0.5Ta0.5O3 (PFT).

    Science.gov (United States)

    Schiemer, J A; Lascu, I; Harrison, R J; Kumar, A; Katiyar, R S; Sanchez, D A; Ortega, N; Mejia, C Salazar; Schnelle, W; Shinohara, H; Heap, A J F; Nagaratnam, R; Dutton, S E; Scott, J F; Nair, B; Mathur, N D; Carpenter, M A

    2017-01-01

    Elastic and anelastic properties of ceramic samples of multiferroic perovskites with nominal compositions across the binary join PbZr 0.53 Ti 0.47 O 3 -PbFe 0.5 Ta 0.5 O 3 (PZT-PFT) have been assembled to create a binary phase diagram and to address the role of strain relaxation associated with their phase transitions. Structural relationships are similar to those observed previously for PbZr 0.53 Ti 0.47 O 3 -PbFe 0.5 Nb 0.5 O 3 (PZT-PFN), but the magnitude of the tetragonal shear strain associated with the ferroelectric order parameter appears to be much smaller. This leads to relaxor character for the development of ferroelectric properties in the end member PbFe 0.5 Ta 0.5 O 3 . As for PZT-PFN, there appear to be two discrete instabilities rather than simply a reorientation of the electric dipole in the transition sequence cubic-tetragonal-monoclinic, and the second transition has characteristics typical of an improper ferroelastic. At intermediate compositions, the ferroelastic microstructure has strain heterogeneities on a mesoscopic length scale and, probably, also on a microscopic scale. This results in a wide anelastic freezing interval for strain-related defects rather than the freezing of discrete twin walls that would occur in a conventional ferroelastic material. In PFT, however, the acoustic loss behaviour more nearly resembles that due to freezing of conventional ferroelastic twin walls. Precursor softening of the shear modulus in both PFT and PFN does not fit with a Vogel-Fulcher description, but in PFT there is a temperature interval where the softening conforms to a power law suggestive of the role of fluctuations of the order parameter with dispersion along one branch of the Brillouin zone. Magnetic ordering appears to be coupled only weakly with a volume strain and not with shear strain but, as with multiferroic PZT-PFN perovskites, takes place within crystals which have significant strain heterogeneities on different length scales.

  12. 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.

  13. Alkali-resistant low-temperature atomic-layer-deposited oxides for optical fiber sensor overlays

    Science.gov (United States)

    Kosiel, K.; Dominik, M.; Ściślewska, I.; Kalisz, M.; Guziewicz, M.; Gołaszewska, K.; Niedziółka-Jonsson, J.; Bock, W. J.; Śmietana, M.

    2018-04-01

    This paper presents an investigation of properties of selected metallic oxides deposited at a low temperature (100 °C) by atomic layer deposition (ALD) technique, relating to their applicability as thin overlays for optical fiber sensors resistant in alkaline environments. Hafnium oxide (Hf x O y with y/x approx. 2.70), tantalum oxide (Ta x O y with y/x approx. 2.75) and zirconium oxide (Zr x O y with y/x approx. 2.07), which deposition was based, respectively, on tetrakis(ethylmethyl)hafnium, tantalum pentachloride and tetrakis(ethylmethyl)zirconium with deionized water, were tested as thin layers on planar Si (100) and glass substrates. Growth per cycle (GPC) in the ALD processes was 0.133-0.150 nm/cycle. Run-to-run GPC reproducibility of the ALD processes was best for Hf x O y (0.145 ± 0.001 nm/cycle) and the poorest for Ta x O y (0.133 ± 0.003 nm/cycle). Refractive indices n of the layers were 2.00-2.10 (at the wavelength λ = 632 nm), with negligible k value (at λ for 240-930 nm). The oxides examined by x-ray diffractometry proved to be amorphous, with only small addition of crystalline phases for the Zr x O y . The surfaces of the oxides had grainy but smooth topographies with root-mean square roughness ˜0.5 nm (at 10 × 10 μm2 area) according to atomic force microscopy. Ellipsometric measurements, by contrast, suggest rougher surfaces for the Zr x O y layers. The surfaces were also slightly rougher on the glass-based samples than on the Si-based ones. Nanohardness and Young modules were 4.90-8.64 GPa and 83.7-104.4 GPa, respectively. The tests of scratch resistance revealed better tribological properties for the Hf x O y and the Ta x O y than for the Zr x O y . The surfaces were hydrophilic, with wetting angles of 52.5°-62.9°. The planar oxides on Si, being resistive even to concentrated alkali (pH 14), proved to be significantly more alkali-resistive than Al2O3. The Ta x O y overlay was deposited on long-period grating sensor induced in optical

  14. Non-ionic contributions to the electric-field gradient at 111Cd/181Ta impurities in bixbyites

    International Nuclear Information System (INIS)

    Renteria, Mario; Freitag, Kristian; Errico, Leonardo A.

    1999-01-01

    The electric-field-gradient (EFG) tensor at both cation sites of the bixbyite structure in 181 Hf-implanted Lu- and Sm-sesquioxides was determined by the PAC technique. The cumulated EFG data at Ta-impurity sites in binary oxides enable us to discuss the 'universal' character of the empirical correlation between local and ionic contributions to the EFG in these systems. An EFG factorization in terms of the electronic characteristics of the probe and the geometry of the cation coordination is proposed, which explains the experimental EFG results at Ta/Cd impurity sites in bixbyites and agrees with a simplified decomposition of the EFG valence contribution coming from ab-initio calculations

  15. ARL Summer Student Research Symposium. Volume 2: Compendium of Abstracts

    Science.gov (United States)

    2012-08-01

    photolithography and electron beam deposition. Electrical resistance and Dirac point measurements are taken in vacuum after 12 h of annealing at 373 K...range of resistances from 10–100 ohms and display excellent electrical conductance even at very low weight percents. The data indicates promising...the six early transition metal powders in Groups IV and V (i.e., Ti, Zr , and Hf; and V, Nb , and Ta) were subjected to high energy mechanical

  16. 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.

  17. Geochemical insights into the lithology of mantle sources for Cenozoic alkali basalts in West Qinling, China

    Science.gov (United States)

    Dai, Li-Qun; Zheng, Fei; Zhao, Zi-Fu; Zheng, Yong-Fei

    2018-03-01

    Although alkali basalts are common in oceanic islands and continental rifts, the lithology of their mantle sources is still controversial. While the peridotite is usually viewed as a common source lithology, there are increasing studies suggesting significant contributions from ultramafic metasomatites such as carbonated peridotite, pyroxenite and hornblendite to the origin of alkali basalts. The present study indicates that carbonated peridotite plus hornblendite would have served as the mantle sources of Cenozoic alkali basalts from the West Qinling orogen in China. The target basalts show low SiO2 contents of 36.9 to 40.8 wt% and highly variable Na2O + K2O contents from 0.86 to 4.77 wt%, but high CaO contents of 12.5 to 16.3 wt% and CaO/Al2O3 ratios of 1.42 to 2.19. They are highly enriched in the majority of incompatible trace elements, but depleted in Rb, K, Pb, Zr, Hf, and Ti. Furthermore, they exhibit high (La/Yb)N, Zr/Hf, Ce/Pb and Nb/Ta ratios, but low Ti/Eu and Hf/Sm ratios. Generally, with increasing (La/Yb)N and CaO/Al2O3 ratios, their Ti/Eu and Hf/Sm ratios decrease whereas their Zr/Hf, Ce/Pb and Nb/Ta ratios increase. These major and trace element features are similar to those of carbonatites and hornblendite-derived melts to some extent, but significantly different from those of mid-ocean ridge basalts (MORB). This suggests that the alkali basalts would be originated from metasomatic mantle sources. A comparison of the major-trace elements in the alkali basalts with those of some representative mantle-derived melts indicates that the source lithology of alkali basalts is a kind of ultramafic metasomatites that are composed of carbonated peridotite and hornblendite. Such metasomatites would be generated by reaction of the depleted MORB mantle peridotite with hydrous, carbonate-bearing felsic melts derived from partial melting of the subducted Paleotethyan oceanic crust. Therefore, the melt-peridotite reaction at the slab-mantle interface in the

  18. 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

  19. Experimental and ab initio study of the nuclear quadrupole interaction of 181Ta-probes in an α-Fe2O3 single crystal

    International Nuclear Information System (INIS)

    Darriba, G. N.; Muñoz, E. L.; Eversheim, P. D.; Rentería, M.

    2010-01-01

    We report perturbed-angular-correlation (PAC) experiments on 181 Hf (→ 181 Ta)-implanted corundum α-Fe 2 O 3 single crystal in order to determine the magnitude, symmetry and orientation of the electric-field-gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbital (FP-APW+lo) calculations. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

  20. Hyperfine spectroscopic study of Laves phase HfFe2

    International Nuclear Information System (INIS)

    Belosevic-Cavor, J.; Novakovic, N.; Cekic, B.; Ivanovic, N.; Manasijevic, M.

    2004-01-01

    Hyperfine fields in HfFe 2 were measured at 181 Ta probe using the time-differential perturbed angular correlation method (TDPAC) in the temperature range 78-1200 K. Analysis of the spectra revealed two interactions with hyperfine fields of 13.82(7) T and 8.0(2) T, at 293 K. First is ascribed to the interaction at the 8a position in the cubic C15 structure. The second can be assigned to a minor amount of hexagonal C14 phase, or to an irregular position of the probe in the C15 lattice. Results of calculations using LAPW-WIEN97 are in a good agreement with experiment

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

    Science.gov (United States)

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

    2018-03-01

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

  2. 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.

  3. 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

  4. Cosmic-ray production of tungsten isotopes in lunar samples and meteorites and its implications for Hf-W cosmochemistry

    Science.gov (United States)

    Leya, Ingo; Wieler, Rainer; Halliday, Alex N.

    2000-01-01

    Excesses and deficiencies in 182W in meteorites and lunar samples relative to the terrestrial 182W atomic abundance have been assigned to the decay of 182Hf (t1/2=9 Ma) and have been used to date metal-silicate fractionation events in the early solar system. Because the effects are very small, production and burn-out of tungsten isotopes by cosmic ray interactions are a concern in such studies. Masarik [J. Masarik, Contribution of neutron-capture reactions to observed tungsten isotopic ratios, Earth Planet. Sci. Lett. 152 (1997) 181-185] showed that neutron-capture reactions on tungsten isotopes can account at best for a minor part of the observed deficit of 182W in Toluca and other iron meteorites. On the other hand, in lunar samples and stony meteorites the production of 182W from 181Ta may become crucial. Here, we calculate this contribution as well as production and consumption of 182-186W by other neutron-induced reactions. The neutron fluence of each sample is estimated by its nominal cosmic-ray exposure age deduced from noble gas data. This approach overestimates the true cosmogenic W isotopic shifts for samples that might have been irradiated very close to the regolith surface. A quantitative estimate is often also hampered by a lack of Ta data. Despite these reservations, it appears that in many lunar samples neutron-capture on Ta has caused a large part of the observed 182W excess. On the other hand, in some samples, especially those with very low exposure ages, clearly only a minor or even negligible fraction of the 182W excess can be cosmogenic. Therefore, the conclusion, based on Hf-W model ages, that the Moon formed 50 Myr after the start of the solar system remains valid. Martian meteorites have lower Ta/W ratios and cosmic ray exposure ages than most lunar samples. Therefore, cosmogenic production has not significantly altered the W isotopic composition in Martian meteorites. Observed 182W excesses in Martian meteorites as well as the very large

  5. Tuning the size-dependent He-irradiated tolerance and strengthening behavior of crystalline/amorphous Cu/Ta nanostructured multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Liang, X.Q.; Zhang, J.Y., E-mail: jinyuzhang1002@mail.xjtu.edu.cn; Wang, Y.Q.; Wu, S.H.; Zeng, F.; Wu, K.; Liu, G., E-mail: lgsammer@mail.xjtu.edu.cn; Zhang, G.J.; Sun, J.

    2016-08-30

    Nanoindentation methodology was used to measure the hardness of Cu/Ta crystalline/amorphous nanostructured multilayers (CANMs) before and after He ion-implantation at room temperature. These CANMs have a constant modulation period (λ=25 nm) but different modulation ratios (η=h{sub Ta} / h{sub Cu}) spanning from 0.11 to 1.0. It is found that in sharp contrast to previously reported Cu/Cu-Zr CANMs by Zhang et al. [9], the He-irradiated Cu/Ta samples exhibit much greater microstructure stability without radiation-induced devitrification (RID) of glassy Ta nanolayers at smaller η (except the sample at η=1.0). Both the as-deposited and irradiated Cu/Ta CANMs manifest the monotonically increased hardness with decreasing η, however, there is an unexpected transition from size-dependent irradiation hardening at η<1.0 to softening at η≥1.0 caused by a competition between dislocation-bubble interactions in crystalline nanolayers and RID in glassy nanolayers. These findings not only provide fundamental understanding of the radiation-induced defect effect on plastic characteristics of CANMs, but also offer guidance for their microstructure sensitive design for performance optimization at a critical modulation ratio under extreme conditions.

  6. Corrosion Characteristics of Ti-xTa Alloys with Ta contents

    International Nuclear Information System (INIS)

    Kim, H. J.; Choe, H. C.

    2013-01-01

    The purpose of this study was to investigate corrosion characteristics of Ti-xTa alloys with Ta contents. Ti-xTa alloys used as samples (x=30, 40%) were arc-melted under argon atmosphere of 99.9% purity. Ti-xTa alloys were homogenized for 12hr at 1000 .deg. C and then water quenched. The surface characteristics of Ti-xTa alloys were investigated using optical microscopy (OM) and X-ray diffractometer (XRD). The anodic corrosion behaviors of the specimens were examined through potentiodynamic, potentiostatic and galvanostatic test in 0.9 % NaCl solution at 36.5 ± 1 .deg. C. After corrosion test, the surface characteristics of Ti-xTa alloys were investigated using OM. The microstructure of Ti-Ta alloy showed the beta structure with Ta content. The corrosion resistance of Ti alloy was improved by increasing Ta content and the corrosion morphology of Ti-Ta alloy showed that the site attacked by chloride ion decreased from the active to passive region with Ta content. Potential of Ti-40Ta alloy increased as time increased, whereas, current density of Ti-40Ta alloy decreased as time increased compared to Ti-30 alloy

  7. Radiological soil survey adjacent to TA-35, TA-48, TA-50, and TA-55

    International Nuclear Information System (INIS)

    Purtymun, W.D.; Becker, N.M.; Maes, M.N.

    1985-01-01

    The 137 Cs concentrations in soil from five new locations (in technical areas where radioactive materials are processed or have been processed) are at or below the maximum levels (1.4 pCi/g) found in regional soils. The 238 Pu and /sup 239,240/Pu soil concentrations at Station 2 were greater than were those found in regional soils (1977 and 1978-1982 Summaries). Station 2 is located south of TA-50. The total uranium soil concentrations exceed regional background concentrations at all stations. However, these levels do not indicate contamination but reflect natural uranium leached from soil derived from the tuff. These concentrations are similar to the data collected in 1977. Uranium concentrations in soils vary and depend on the rock type that has weathered to form the soil. A comparison of the averages and standard deviations of radiochemical analyses collected in 1977 and 1983 indicates only slight variations between the 2 yr. The five new stations established in 1983 will provide long-term monitoring of the possible airborne deposition of contaminants in the areas around TA-35, TA-48, TA-50, and TA-55. Comparing 1977 with 1983 data indicates no significant increase in radioactivity of the soil adjacent to these technical areas

  8. Ductility of Ni3Al doped with substitutional elements

    International Nuclear Information System (INIS)

    Hanada, S.; Chiba, A.; Guo, H.Z.; Watanabe, S.

    1993-01-01

    This paper reports on ductility of B-free Ni 3 Al alloys. Recrystallized Ni 3 Al binary alloys with Ni-rich compositions show appreciable ductility when an environmental effect is eliminated, while the alloys with stoichiometric and Al-rich compositions remain brittle. The ductility in the Ni-rich Ni 3 Al alloys is associated with low ordering energy. The additions of ternary elements, which are classified as γ formers, ductilize ternary Ni 3 Al alloys(Ni-23 at% Al-2 at% X, X = Pd, Pt, Cu and Co), whereas the additions of γ' formers embrittle ternary Ni 3 Al alloys(Ni-23 at% Al-2 at% X, X = Ta, Mo, Nb, Zr, Hf, V, Ti and Si). The additions of small amounts (less than 1 at%) of γ' formers such as Zr and Hf also ductilize as-cast ternary Ni 3 Al alloys. Ductility of Ni 3 Al alloys doped with substitutional elements is discussed in terms of ordering energy and microstructure

  9. 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.

  10. 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)

  11. Fatigue in artificially layered Pb(Zr,Ti)O3 ferroelectric films

    Science.gov (United States)

    Jiang, A. Q.; Scott, J. F.; Dawber, M.; Wang, C.

    2002-12-01

    We have performed fatigue tests on lead zirconate titanate (PZT) multilayers having stacks of Pb(Zr0.8Ti0.2)O3/Pb(Zr0.2Ti0.8)O3 with repeated distances of 12 formula groups. The results are compared with single-layer n-type (0.5 at. % Ta-doped) PZT films. We conclude that fatigue is dominated by space-charge layers in each case, but that in the multilayer such space charge accumulates at the layer interfaces, rather than at the electrode-dielectric interface. The model, which includes both drift and diffusion, is quantitative and yields a rate-limiting mobility of 6.9±0.9×10-12 cm2/V s, in excellent agreement with the oxygen vacancy mobility for perovskite oxides obtained from Zafar et al.

  12. 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.

  13. 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)

  14. 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.

  15. 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.

  16. Reduced activation calculations for the STARFIRE first wall

    International Nuclear Information System (INIS)

    Mann, F.M.

    1983-10-01

    The activation of 27 elements (Li, Be, B, C, N, O, Mg, Al, Si, P, S, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Sn, Hf, Ta, W, and Pb) was calculated for a two-year exposure at the STARFIRE first-wall position. Based on a reasonable extension of current NRC regulations for near-surface land disposal, restrictions on N, Al, Ni, Cu, Nb, Mo, and Pb concentrations in first-wall materials may be required

  17. Chemistry of the elements

    International Nuclear Information System (INIS)

    Greenwood, N.N.; Earnshaw, A.

    1984-01-01

    This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

  18. NMR-ON of 182Ta and 183Ta in Fe

    International Nuclear Information System (INIS)

    Allsop, A.L.; Chaplin, D.H.; Murray, D.W.; Stone, N.J.

    1980-01-01

    Nuclear magnetic resonance has been observed on radioactive 182 Ta and 183 Ta oriented at low temperature in an Fe host, by detection of the change in spatial anisotropy of γ-rays emitted during nuclear decay. By measuring the resonant frequencies of 183 Ta in four different applied magnetic fields the nuclear magnetic moment and hyperfine field have been deduced. These are: vertical stroke μ( 183 Ta;I = 7/2) = 2.28(3)μsub(N) and Bsub(h)sub(f)(TaFe at 0 K) = -67.2(1.3)T. The sin of the ground state of 182 Ta has been determined as I = 3 by comparing resonance results with those obtained in a thermal equilibrium nuclear orientation study. The ratio of the resonant frequencies observed for 182 Ta and 183 Ta at one applied field value yields a magnetic moment for the former of vertical stroke μ( 182 Ta;I = 3) vertical stroke = 2.91(3)μsub(N). The spin lattice relaxation time for 183 TaFe (0.12 at% Ta) at 18 mK in an applied field of 0.5 T has been found to be 40(10)s. (orig.)

  19. Ionic conductivity in new perovskite type oxides: NaAZrMO6 (A = Ca or Sr; M = Nb or Ta)

    International Nuclear Information System (INIS)

    Rajendran, Deepthi N.; Ravindran Nair, K.; Prabhakar Rao, P.; Sibi, K.S.; Koshy, Peter; Vaidyan, V.K.

    2008-01-01

    New oxides of the type, NaAZrMO 6 (M = Ca or Sr; M = Nb or Ta), have been prepared by the solid-state reaction technique. Phase identification by powder X-ray diffraction (XRD) shows that NaCaZrMO 6 has orthorhombic perovskite type structure (Pnma) and NaSrZrMO 6 has cubic perovskite type structure (Pm3m). The grain morphology observation by scanning electron microscope (SEM) shows well-sintered grains. ac impedance spectra and electrical conductivity measurements in air, oxygen and nitrogen atmospheres indicate that they are probable oxide ion conductors with ionic conductivities of the order of 10 -3 S cm -1 at 750 deg. C

  20. Clay Mineralogy of Coal-Hosted Nb-Zr-REE-Ga Mineralized Beds from Late Permian Strata, Eastern Yunnan, SW China: Implications for Paleotemperature and Origin of the Micro-Quartz

    Directory of Open Access Journals (Sweden)

    Lixin Zhao

    2016-05-01

    Full Text Available The clay mineralogy of pyroclastic Nb(Ta-Zr(Hf-REE-Ga mineralization in Late Permian coal-bearing strata from eastern Yunnan Province; southwest China was investigated in this study. Samples from XW and LK drill holes in this area were analyzed using XRD (X-ray diffraction and SEM (scanning electronic microscope. Results show that clay minerals in the Nb-Zr-REE-Ga mineralized samples are composed of mixed layer illite/smectite (I/S; kaolinite and berthierine. I/S is the major component among the clay assemblages. The source volcanic ashes controlled the modes of occurrence of the clay minerals. Volcanic ash-originated kaolinite and berthierine occur as vermicular and angular particles, respectively. I/S is confined to the matrix and is derived from illitization of smectite which was derived from the original volcanic ashes. Other types of clay minerals including I/S and berthierine precipitated from hydrothermal solutions were found within plant cells; and coexisting with angular berthierine and vermicular kaolinite. Inferred from the fact that most of the I/S is R1 ordered with one case of the R3 I/S; the paleo-diagenetic temperature could be up to 180 °C but mostly 100–160 °C. The micro-crystalline quartz grains (<10 µm closely associated with I/S were observed under SEM and were most likely the product of desiliconization during illitization of smectite.

  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. Relevance of separation science and technology to nuclear fuel complex operations

    International Nuclear Information System (INIS)

    Rao, S.M.; Ojha, P.B.; Rajashri, M.; Mirji, K.V.; Kalidas, R.

    2004-01-01

    During the last three decades at Nuclear Fuel Complex (NFC), Hyderabad, the Science and Technology of separation to produce various reactor grade materials in tonnage quantity is being practiced in the fields of Zr/Hf, U and Nb/Ta. Apart from this, the separation science is also being used in the production of various high purity materials and in the analytical field. The separation science and technology that is used in the production and characterisation of reactor grade materials has many striking differences from that of the common metals. The relevance and significance of separation science in the field of nuclear materials arises mainly due to the harmful effects w.r.t corrosion property and absorption of neutron caused by the presence of impurities, that are to be brought down to ppm or sub ppm level. In many cases low separation factors, that too from a multi component system call for effective process control at every stage of the bulk production so as to get quality product consistently. This article brings out the importance of separation science and technology and various process standardisations/developments that have been carried out at NFC, starting from laboratory scale to pilot scale and up to industrial scale production in the case of (i) Uranium refining (ii) Zr-Hf separation (iii) Ta-Nb separation and (iv) High purity materials production. (author)

  3. Perturbed angular correlation study of 181Ta-doped PbTi1-xHfxO3 compounds

    International Nuclear Information System (INIS)

    Alonso, R.E.; López García, A.R.; Rubia, M.A. de la; De Frutos, J.

    2012-01-01

    In this work, the hyperfine quadrupole interaction at Ta-doped PbTi 1-x Hf x O 3 polycrystalline samples is studied for the first time. Powders with x=0.25, 0.50 and 0.75 were prepared and characterized by X-ray diffraction analysis. Perturbed Angular Correlation (PAC) analyses were done as a function of temperature, using low concentration 181 Ta nuclei as probes. In the ferroelectric and paraelectric phases of these compounds two sites were occupied by the probes. For each site the quadrupole frequency, asymmetry and relative distribution width parameters were obtained as a function of temperature above and below the Curie temperature (T C ). One of these sites was assigned to the regular Ti-Hf site, while the other one was assigned to some kind of defect. The behavior of the hyperfine parameters as a function of temperature was analyzed in terms of a recent published phase diagram and the presence of disorder below and above T C . For the three compositions measured, the obtained hyperfine parameters present discontinuities which correspond to the ferroelectric-paraelectric phase transition. In both phases it was found broad frequency distributed interactions. The disorder in the electronic distribution would be responsible for the broad line width of the hyperfine interaction.

  4. 179Ta and 180Ta structure by transfer reactions

    International Nuclear Information System (INIS)

    Warde, Elias.

    1979-01-01

    Transfer reactions (α,t); ( 3 He,d); (p,t) and (p,d) have been used to study the nuclear spectroscopy of 179 Ta and 180 Ta. In 179 Ta, 5/2 - and 9/2 - states of the 1/2(541) configuration have been identified. The core-quasiproton interaction has to be taken into account in order to explain the two-nucleon transfer intensities in the 181 Ta(p,t) 179 Ta reaction. A level scheme has been proposed for 180 Ta for the first time. Especially the ground state is identified with the (1 + ,1) level of the [7/2 + (404)sub(p), 9/2 + (624)sub(n)] configuration and spin (9 - ,9) of the configuration [9/2 - (514)sub(p), 9/2 + (624)sub(n)] has been assigned to the long-lived isomer. From the observed configurations in 180 Ta, the matrix elements of the effective residual interaction vsub(np) have been deduced and compared to theoretical predictions [fr

  5. Synthesis and crystal structure of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Baer, Sebastian A.; Kraus, Florian [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany); Lozinsek, Matic [Department of Inorganic Chemistry and Technology, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

    2013-07-01

    [Sr(HF){sub 3}(TaF{sub 6}){sub 2}] reacts with liquid ammonia under the formation of colorless crystals of triammine pentafluorido tantalum(V) [TaF{sub 5}(NH{sub 3}){sub 3}] (1). The structure was elucidated by low-temperature X-ray structure analysis. Compound 1 crystallizes in the monoclinic space group P2{sub 1}/c with a = 5.1525(6), b = 11.736(1), c = 10.171(1) Aa, β = 94.843(9) , V = 612.8(1) Aa{sup 3} at 123 K with Z = 4. Its structure displays discrete TaF{sub 5}(NH{sub 3}){sub 3} molecules, which are interconnected by N-H..F hydrogen bonds to form a complex three-dimensional network. The title compound is a rare example of a neutral, molecular, eight-coordinate tantalum species. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. 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

  7. Non-ionic contributions to the electric-field gradient at {sup 111}Cd/{sup 181}Ta impurities in bixbyites

    Energy Technology Data Exchange (ETDEWEB)

    Renteria, Mario [Universidad Nacional de La Plata, Departamento de Fisica, Facultad de Ciencias Exactas (Argentina); Freitag, Kristian [Universitaet Bonn, Institut fuer Strahlen- und Kernphysik (ISKP) (Germany); Errico, Leonardo A. [Universidad Nacional de La Plata, Departamento de Fisica, Facultad de Ciencias Exactas (Argentina)

    1999-09-15

    The electric-field-gradient (EFG) tensor at both cation sites of the bixbyite structure in {sup 181}Hf-implanted Lu- and Sm-sesquioxides was determined by the PAC technique. The cumulated EFG data at Ta-impurity sites in binary oxides enable us to discuss the 'universal' character of the empirical correlation between local and ionic contributions to the EFG in these systems. An EFG factorization in terms of the electronic characteristics of the probe and the geometry of the cation coordination is proposed, which explains the experimental EFG results at Ta/Cd impurity sites in bixbyites and agrees with a simplified decomposition of the EFG valence contribution coming from ab-initio calculations.

  8. 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.

  9. Photoinduced changes in the fatigue behavior of SrBi2Ta2O9 and Pb(Zr,Ti)O3 thin films

    International Nuclear Information System (INIS)

    Dimos, D.; Al-Shareef, H.N.; Warren, W.L.; Tuttle, B.A.

    1996-01-01

    It is shown that SrBi 2 Ta 2 O 9 (SBT) thin films can be made to exhibit significant polarization fatigue by electric-field cycling under broad-band, optical illumination. Photoinduced fatigue is also observed for Pb(Zr,Ti)O 3 (PZT) thin-film capacitors with (La,Sr)CoO 3 (LSCO) electrodes. These results demonstrate that both the Pt/SBT/Pt and the LSCO/PZT/LSCO systems are susceptible to fatigue effects, which are attributed primarily to pinning of domain walls due to charge trapping. Capacitors that have been fatigued under illumination can be fully rejuvinated by applying a dc saturating bias with light or by electric-field cycling without light, which indicates an intrinsic, field-assisted recovery mechanism. We suggest that fatigue is essentially a competition between domain wall pinning and unpinning and that domain pinning is not necessarily absent in these nominally fatigue-free systems, but rather these systems are ones in which unpinning occurs at least as rapidly as any pinning. In both cases, the extent of photoinduced fatigue decreases with increased cycling voltage, indicating the relative importance of field-assisted unpinning. Finally, the observation of photoinduced fatigue implies that increased injection rates, potentially due to oxygen vacancy accumulation, may account for the electrode dependence on fatigue in PZT thin films

  10. Synthesis of Ni3Ta, Ni2Ta and NiTa by high-energy ball milling and subsequent heat treatment

    International Nuclear Information System (INIS)

    Benites, H.S.N.; Silva, B.P da; Ramos, A.S.; Silva, A.A.A.P.; Coelho, G.C.; Lima, B.B. de

    2014-01-01

    The tantalum has relevance for the development of multicomponent Ni-based superalloys which are hardened by solid solution and precipitation mechanisms. Master alloys are normally used in the production step in order to produce refractory metals and alloys. The present work reports on the synthesis of Ni_3Ta, Ni_2Ta and NiTa by high-energy ball milling and subsequent heat treatment. The elemental Ni-25Ta, Ni-33Ta and Ni-50Ta (at.-%) powder mixtures were ball milled under Ar atmosphere using stainless steel balls and vials, 300 rpm and a ball-to-powder weight ratio of 10:1. Following, the as-milled samples were uniaxially compacted and heat-treated at 1100 deg C for 4h under Ar atmosphere. The characterization of as-milled and heat-treated samples was conducted by means of X-ray diffraction, scanning electron microscopy, and energy dispersive spectrometry. A large amount of Ni_3Ta, Ni_2Ta and NiTa was formed in the mechanically alloyed heat-treated Ni-25Ta, Ni-33Ta and Ni-50Ta alloys. (author)

  11. Epithermal neutron activation analysis investigation of Clarion-Clipperton abyssal plane clay and polymetallic micronodules.

    Science.gov (United States)

    Duliu, O G; Cristache, C I; Culicovc, O A; Frontasyeva, M V; Szobotca, S A; Toma, M

    2009-05-01

    The content of seven major (Na, Al, Cl, Mn, K, Ca, Ti, Fe) and 30 trace (Sc, V, Cr, Ni, Co, Zn, Cu, As, Sr, Rb, Zr, Mo, Sn, In, Sb, Ba, Cs, La, Ce, Nd, Eu, Sm, Tb, Dy, Yb, Hf, Ta, W, Th, U) elements determined by INAA in 13 samples of abyssal clay and two samples of micronodules collected from the North pacific Ocean Clarion-Clipperton abyssal plane is presented and discussed with respect to some rocks models.

  12. Epithermal neutron activation analysis investigation of Clarion-Clipperton abyssal plane clay and polymetallic micronodules

    International Nuclear Information System (INIS)

    Duliu, O.G.; Cristache, C.I.; Culicovc, O.A.; Frontasyeva, M.V.; Szobotca, S.A.; Toma, M.

    2009-01-01

    The content of seven major (Na, Al, Cl, Mn, K, Ca, Ti, Fe) and 30 trace (Sc, V, Cr, Ni, Co, Zn, Cu, As, Sr, Rb, Zr, Mo, Sn, In, Sb, Ba, Cs, La, Ce, Nd, Eu, Sm, Tb, Dy, Yb, Hf, Ta, W, Th, U) elements determined by INAA in 13 samples of abyssal clay and two samples of micronodules collected from the North pacific Ocean Clarion-Clipperton abyssal plane is presented and discussed with respect to some rocks models.

  13. Epithermal neutron activation analysis investigation of Clarion-Clipperton abyssal plane clay and polymetallic micronodules

    Energy Technology Data Exchange (ETDEWEB)

    Duliu, O.G. [University of Bucharest, Department of Atomic and Nuclear Physics, P.O. Box MG-11, 077125 Magurele, Ilfov (Romania)], E-mail: duliu@b.astral.ro; Cristache, C.I. [National Institute of Research and Development for Physics and Nuclear Engineering ' Horia-Hulubei' , P.O. Box MG-6, 077125 Magurele, Ilfov (Romania)], E-mail: ocarmen@ifin.nipne.ro; Culicovc, O.A. [Joint Institute of Nuclear Research, 6, Joliot Curie str., 141980 Dubna (Russian Federation)], E-mail: otilia_culicov@yahoo.com; Frontasyeva, M.V. [Joint Institute of Nuclear Research, 6, Joliot Curie str., 141980 Dubna (Russian Federation)], E-mail: marina@nf.jinr.ru; Szobotca, S.A. [National Institute of Geoecology and Marine Geology, 34 Dimitrie Onciul str., 024504 Bucharest (Romania)], E-mail: szobi@geoecomar.ro; Toma, M. [National Institute of Research and Development for Physics and Nuclear Engineering ' Horia-Hulubei' , P.O. Box MG-6, 077125 Magurele, Ilfov (Romania)

    2009-05-15

    The content of seven major (Na, Al, Cl, Mn, K, Ca, Ti, Fe) and 30 trace (Sc, V, Cr, Ni, Co, Zn, Cu, As, Sr, Rb, Zr, Mo, Sn, In, Sb, Ba, Cs, La, Ce, Nd, Eu, Sm, Tb, Dy, Yb, Hf, Ta, W, Th, U) elements determined by INAA in 13 samples of abyssal clay and two samples of micronodules collected from the North pacific Ocean Clarion-Clipperton abyssal plane is presented and discussed with respect to some rocks models.

  14. Computational Material Modeling of Hydrated Cement Paste Calcium Silicate Hydrate (C-S-H) Chemistry Structure - Influence of Magnesium Exchange on Mechanical Stiffness: C-S-H Jennite

    Science.gov (United States)

    2015-04-27

    MODELING OF C-S-H Material chemistry level modeling following the principles and techniques commonly grouped under Computational Material Science is...Henmi, C. and Kusachi, I. Monoclinic tobermorite from fuka, bitchu-cho, Okoyama Perfecture. Japan J. Min. Petr. Econ . Geol. (1989)84:374-379. [22...31] Liu, Y. et al. First principles study of the stability and mechanical properties of MC (M=Ti, V, Zr, Nb, Hf and Ta) compounds. Journal of Alloys and Compounds. (2014) 582:500-504. 10

  15. Optical and electrical experiments at some transition-metal oxide foil-electrolyte interfaces

    International Nuclear Information System (INIS)

    Sari, S.O.; Ahlgren, W.L.

    1977-01-01

    Metal-oxide layers formed from transition-metal foils oxidized by heating in air have been examined for their photoelectrolytic response. The metals examined are Y, Ti, Zr, Hf, V, Nb, Ta, Mo, W, and Pt. Weak photoeffects are observed for oxide layers of all of these metals. Sizable light-dependent oxygen gas evolution rates are found in Ti and also in W oxides. The spectral dependence of the oxygen response in these compounds is investigated, and interpretation is given of these experiments

  16. Discovery of a Superconducting High-Entropy Alloy

    OpenAIRE

    Kozelj P.; Vrtnik S.; Jelen A.; Jazbec S.; Jaglicic Z.; Maiti S.; Feuerbacher M.; Steurer W.; Dolinsek J.

    2014-01-01

    High entropy alloys (HEAs) are multicomponent mixtures of elements in similar concentrations where the high entropy of mixing can stabilize disordered solid solution phases with simple structures like a bodycentered cubic or a face centered cubic in competition with ordered crystalline intermetallic phases. We have synthesized an HEA with the composition Ta34Nb33Hf8Zr14Ti11 (in at. ) which possesses an average body centered cubic structure of lattice parameter a = 3.36 Å. The measurements of ...

  17. 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.

  18. Stoichiometry behavior of TaN, TaCN and TaC thin films produced by magnetron sputtering

    International Nuclear Information System (INIS)

    Vargas, M.; Castillo, H.A.; Restrepo-Parra, E.; De La Cruz, W.

    2013-01-01

    Thin films were synthesized in a magnetron sputtering system using a target of Ta with 99.99% purity and silicon substrates (1 1 1). The gases used for the film growth were (Ar + N 2 ), (Ar + CH 4 + N 2 ) and (Ar + CH 4 ) mixtures for TaN, TaCN and TaC, respectively. The substrate temperature increased from room temperature to 500 °C. The chemical composition and bonding configuration were examined using X-ray photoelectron spectroscopy (XPS), revealing Ta-N, Ta-C-N, Ta-C and C-C bonds. Moreover, the crystallographic structure was analyzed using X-ray diffraction (XRD), indicating the presence of (1 1 1) and (2 0 0) planes belonging to a face-centered cubic structure. The stoichiometry variation dependence on the CH 4 and N 2 flow was analyzed, and the influence of the substrate temperature on the coatings was investigated. Finally, scanning electron microscopy (SEM) was used to determine the evolution on the grain formation in the coatings as the substrate temperature increased.

  19. Stoichiometry behavior of TaN, TaCN and TaC thin films produced by magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, M. [Centro de Nanociencia y Nanotecnología, Universidad Nacional Autónoma de México, A.P. 2681, C.P. 22860, Ensenada, B.C. (Mexico); Castillo, H.A. [Centro de Enseñanza Técnica y Superior, CETYS Universidad, Campus Tijuana, Tijuana, B.C. (Mexico); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [Universidad Nacional de Colombia Sede Medellín Colombia, Facultad de Minas, Manizales (Colombia); De La Cruz, W. [Centro de Nanociencia y Nanotecnología, Universidad Nacional Autónoma de México, A.P. 2681, C.P. 22860, Ensenada, B.C. (Mexico)

    2013-08-15

    Thin films were synthesized in a magnetron sputtering system using a target of Ta with 99.99% purity and silicon substrates (1 1 1). The gases used for the film growth were (Ar + N{sub 2}), (Ar + CH{sub 4} + N{sub 2}) and (Ar + CH{sub 4}) mixtures for TaN, TaCN and TaC, respectively. The substrate temperature increased from room temperature to 500 °C. The chemical composition and bonding configuration were examined using X-ray photoelectron spectroscopy (XPS), revealing Ta-N, Ta-C-N, Ta-C and C-C bonds. Moreover, the crystallographic structure was analyzed using X-ray diffraction (XRD), indicating the presence of (1 1 1) and (2 0 0) planes belonging to a face-centered cubic structure. The stoichiometry variation dependence on the CH{sub 4} and N{sub 2} flow was analyzed, and the influence of the substrate temperature on the coatings was investigated. Finally, scanning electron microscopy (SEM) was used to determine the evolution on the grain formation in the coatings as the substrate temperature increased.

  20. On the mechanical stress of Zr, Zry, and other materials due to the formation of oxide layers

    International Nuclear Information System (INIS)

    Hofmann, P.

    1977-06-01

    Several mechanisms are indicated which during oxidation of sheets, tubes, and cylinders of pure metals and alloys might lead to plastic deformation of the remaining uncorroded cross section. Some experimental methods are described which allow evaluation of stresses occurring in oxide layers. The main reason for the creep deformation of flat and tubular specimens made of Zr and Zr alloys lies in the stresses that arise from volume increase due to the growth of oxide layers. Plastic deformations of the sheet metal specimens can be up to 100% and are anisotropic. In tubular specimens the changes in geometry (axial, radial) are much smaller in the course of oxidation and attain 2% at the maximum for Zr- or Zry-tubes and go up to 10% for Ta-tubes when no differential pressure is applied simultaneously. (orig.) [de

  1. 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

  2. The Middle Triassic evolution of the Bangong-Nujiang Tethyan Ocean: evidence from analyses of OIB-type basalts and OIB-derived phonolites in northern Tibet

    Science.gov (United States)

    Fan, Jian-Jun; Li, Cai; Liu, Jin-Heng; Wang, Ming; Liu, Yi-Ming; Xie, Chao-Ming

    2017-12-01

    In this paper, we present new major and trace element chemical data for the basalts and phonolites of the Nare ocean island fragment (NaOI), as well as zircon U-Pb age data and Hf isotope compositions for the NaOI phonolites in the middle segment of the Bangong-Nujiang Suture Zone, northern Tibet. Our aim is to assess the genesis of these rocks and to reconstruct the Middle Triassic evolution of the Bangong-Nujiang Tethyan Ocean (BNTO). The NaOI retains an ocean island-type double-layered structure comprising a basaltic basement and an oceanic sedimentary cover sequence (conglomerate and limestone, the latter accompanied by layers of erupted phonolite near the top of the sequence). The basalts in the NaOI are enriched in light rare earth elements and high field strength elements (Nb, Ta, Zr, Hf, and Ti), and they exhibit chondrite-normalized REE patterns and primitive mantle-normalized trace element patterns similar to those of ocean island basalts. Taking into consideration their high Dy/Yb, Sm/Yb, and La/Sm ratios, we conclude that the NaOI basalts were derived from the partial melting of garnet peridotite in the mantle. The NaOI phonolites have LREE-enriched chondrite-normalized REE patterns with negative Eu anomalies (Eu/Eu* = 0.41-0.43) and primitive mantle-normalized trace element patterns with enrichments in Nb, Ta, Zr, and Hf, and depletions in Ba, U, Sr, P, and Ti. Given the high contents of Nb (172-256 ppm), Ta (11.8-16.0 ppm), Zr (927-1117 ppm), and Hf (20.8-26.9 ppm), and the very low contents of MgO (0.11-0.25 wt%), the very low Mg# values (5-10), and the near-zero contents of Cr (1.27-7.59 ppm), Ni (0.43-7.19 ppm), and Co (0.11-0.38 ppm), and the small and homogeneously positive ɛ Hf(t) values (+ 4.9 to + 9.5), we infer that the NaOI phonolites were formed by the fractional crystallization of an OIB-derived mafic parent magma. The phonolites of the NaOI contain zircons that yielded U-Pb ages of 239 and 242 Ma, indicating that the NaOI formed during

  3. Structural, electronic, and hyperfine properties of pure and Ta-doped em>m>-ZrO2

    DEFF Research Database (Denmark)

    Taylor, M.A.; Alonso, R.E.; Errico, L.A.

    2012-01-01

    plane wave plus local orbital (APW+lo) method was applied to treat the electronic structure of the doped system including the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach. Different charge states of the Ta impurity were considered...

  4. Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap.

    Science.gov (United States)

    Guo, San-Dong; Liu, Bang-Gui

    2018-03-14

    Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44 , TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 [Formula: see text] along the a axis and 1080.40 [Formula: see text] along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) [Formula: see text] along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

  5. Ultrahigh lattice thermal conductivity in topological semimetal TaN caused by a large acoustic-optical gap

    Science.gov (United States)

    Guo, San-Dong; Liu, Bang-Gui

    2018-03-01

    Topological semimetals may have potential applications such as in topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based nano-electronics devices, which is closely related to high thermal conductivity. In this work, the elastic properties and lattice thermal conductivity of TaN are investigated using first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. According to the calculated bulk modulus, shear modulus and C 44, TaN can be regarded as a potential incompressible and hard material. The room-temperature lattice thermal conductivity is predicted to be 838.62 W~m-1~K^{-1} along the a axis and 1080.40 W~m-1~K^{-1} along the c axis, showing very strong anisotropy. It is found that the lattice thermal conductivity of TaN is several tens of times higher than other topological semimetals, such as TaAs, MoP and ZrTe, which is due to the very longer phonon lifetimes for TaN than other topological semimetals. The very different atomic masses of Ta and N atoms lead to a very large acoustic-optical band gap, and then prohibit the scattering between acoustic and optical phonon modes, which gives rise to very long phonon lifetimes. Calculated results show that isotope scattering has little effect on lattice thermal conductivity, and that phonons with mean free paths larger than 20 (80) μm along the c direction at 300 K have little contribution to the total lattice thermal conductivity. This work implies that TaN-based nano-electronics devices may be more stable and reliable due to efficient heat dissipation, and motivates further experimental works to study lattice thermal conductivity of TaN.

  6. Experimental and ab initio study of the nuclear quadrupole interaction of {sup 181}Ta-probes in an {alpha}-Fe{sub 2}O{sub 3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Darriba, G. N., E-mail: darriba@fisica.unlp.edu.ar; Munoz, E. L. [Universidad Nacional de La Plata, Departamento de Fisica e Instituto de Fisica La Plata (IFLP, CCT La Plata, CONICET), Facultad de Ciencias Exactas (Argentina); Eversheim, P. D. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik (H-ISKP) (Germany); Renteria, M., E-mail: renteria@fisica.unlp.edu.ar [Universidad Nacional de La Plata, Departamento de Fisica e Instituto de Fisica La Plata (IFLP, CCT La Plata, CONICET), Facultad de Ciencias Exactas (Argentina)

    2010-04-15

    We report perturbed-angular-correlation (PAC) experiments on {sup 181}Hf ({yields}{sup 181}Ta)-implanted corundum {alpha}-Fe{sub 2}O{sub 3} single crystal in order to determine the magnitude, symmetry and orientation of the electric-field-gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbital (FP-APW+lo) calculations. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

  7. New Oxide Materials for an Ultra High Temperature Environment

    Energy Technology Data Exchange (ETDEWEB)

    Perepezko, John H. [Univ. of Wisconsin, Madison, WI (United States). Dept. of Materials Science and Engineering

    2017-11-13

    In this project, a new oxide material, Hf6Ta2O17 has been successfully synthesized by the controlled oxidization of Hf-Ta alloys. This oxide exhibits good oxidation resistance, high temperature phase stability up to more than 2000°C, low thermal conductivity and thus could serve as a component or a coating material in an ultrahigh temperature environment. We have examined the microstructure evolution and phase formation sequence during the oxidation exposure of Hf-Ta alloys at 1500°C and identified that the oxidation of a Hf-26.7atomic %Ta alloy leads to the formation of a single phase adherent Hf6Ta2O17 with a complex atomic structure i.e. superstructure. The overall reactive diffusion pathway is consistent with the calculated Hf-Ta-O ternary phase diagram. Besides the synthesis of Hf6Ta2O17 superstructure by oxidizing Hf-Ta alloys, we have also developed a synthesis method based upon the reactive sintering of the correct ratios of mixed powders of HfO2 and Ta2O5 and verified the low thermal conductivity of Hf6Ta2O17 superstructure on these samples. We have completed a preliminary analysis of the oxidation kinetics for Hf6Ta2O17, which shows an initial parabolic oxidation kinetics.

  8. Reduced sediment melting at 7.5-12 GPa: phase relations, geochemical signals and diamond nucleation

    Science.gov (United States)

    Brey, G. P.; Girnis, A. V.; Bulatov, V. K.; Höfer, H. E.; Gerdes, A.; Woodland, A. B.

    2015-08-01

    Melting of carbonated sediment in the presence of graphite or diamond was experimentally investigated at 7.5-12 GPa and 800-1600 °C in a multianvil apparatus. Two starting materials similar to GLOSS of Plank and Langmuir (Chem Geol 145:325-394, 1998) were prepared from oxides, carbonates, hydroxides and graphite. One mixture (Na-gloss) was identical in major element composition to GLOSS, and the other was poorer in Na and richer in K (K-gloss). Both starting mixtures contained ~6 wt% CO2 and 7 wt% H2O and were doped at a ~100 ppm level with a number of trace elements, including REE, LILE and HFSE. The near-solidus mineral assemblage contained a silica polymorph (coesite or stishovite), garnet, kyanite, clinopyroxene, carbonates (aragonite and magnesite-siderite solid solution), zircon, rutile, bearthite and hydrous phases (phengite and lawsonite at 10 GPa). Hydrous phases disappear at ~900 °C, and carbonates persist up to 1000-1100 °C. At temperatures >1200 °C, the mineral assemblage consists of coesite or stishovite, kyanite and garnet. Clinopyroxene stability depends strongly on the Na content in the starting mixture; it remains in the Na-gloss composition up to 1600 °C at 12 GPa, but was not observed in K-gloss experiments above 1200 °C. The composition of melt or fluid changes gradually with increasing temperature from hydrous carbonate-rich ( 1). Aragonite and Fe-Mg carbonate have very different REE partition coefficients ( D Mst-Sd/L ~ 0.01 and D Arg/L ~ 1). Nb, Ta, Zr and Hf are strongly incompatible in both carbonates. The bearthite/melt partition coefficients are very high for LREE (>10) and decrease to ~1 for HREE. All HFSE are strongly incompatible in bearthite. In contrast, Ta, Nb, Zr and Hf are moderately to strongly compatible in ZrSiO4 and TiO2 phases. Based on the obtained partition coefficients, the composition of a mobile phase derived by sediment melting in deep subduction zones was calculated. This phase is strongly enriched in

  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. 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.

  11. Hydrothermal mobilization of pegmatite-hosted REE and Zr at Strange Lake, Canada: A reaction path model

    Science.gov (United States)

    Gysi, Alexander P.; Williams-Jones, Anthony E.

    2013-12-01

    Petrological and geochemical observations of pegmatites in the Strange Lake pluton, Canada, have been combined with numerical simulations to improve our understanding of fluid-rock interaction in peralkaline granitic systems. In particular, they have made it possible to evaluate reaction paths responsible for hydrothermal mobilization and mineralization of rare earth elements (REE) and Zr. The focus of the study was the B-Zone in the northwest of the pluton, which contains a pegmatite swarm and is the target of exploration for an economically exploitable REE deposit. Many of the pegmatites are mineralogically zoned into a border consisting of variably altered primary K-feldspar, arfvedsonite, quartz, and zirconosilicates, and a core rich in quartz, fluorite and exotic REE minerals. Textural relationships indicate that the primary silicate minerals in the pegmatites were leached and/or replaced during acidic alteration by K-, Fe- and Al-phyllosilicates, aegirine, hematite, fluorite and/or quartz, and that primary zirconosilicates (e.g., elpidite) were replaced by gittinsite and/or zircon. Reaction textures recording coupled dissolution of silicate minerals and crystallization of secondary REE-silicates indicate hydrothermal mobilization of the REE. The mobility of the light (L)REE was limited by the stability of REE-F-(CO2)-minerals (basnäsite-(Ce) and fluocerite-(Ce)), whereas zirconosilicates and secondary gadolinite-group minerals controlled the mobility of Zr and the heavy (H)REE. Hydrothermal fluorite and fluorite-fluocerite-(Ce) solid solutions are interpreted to indicate the former presence of F-bearing saline fluids in the pegmatites. Numerical simulations show that the mobilization of REE and Zr in saline HCl-HF-bearing fluids is controlled by pH, ligand activity and temperature. Mobilization of Zr is significant in both saline HF- and HCl-HF-bearing fluids at low temperature (250 °C). In contrast, the REE are mobilized by saline HCl-bearing fluids

  12. 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.

  13. 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.

  14. Ionic conductivity in new perovskite type oxides: NaAZrMO{sub 6} (A = Ca or Sr; M = Nb or Ta)

    Energy Technology Data Exchange (ETDEWEB)

    Rajendran, Deepthi N.; Ravindran Nair, K. [Regional Research Laboratory (CSIR), Trivandrum 695019 (India); Prabhakar Rao, P. [Regional Research Laboratory (CSIR), Trivandrum 695019 (India)], E-mail: padala_rao@yahoo.com; Sibi, K.S.; Koshy, Peter [Regional Research Laboratory (CSIR), Trivandrum 695019 (India); Vaidyan, V.K. [Department of Physics, University of Kerala, Trivandrum 695581 (India)

    2008-06-15

    New oxides of the type, NaAZrMO{sub 6} (M = Ca or Sr; M = Nb or Ta), have been prepared by the solid-state reaction technique. Phase identification by powder X-ray diffraction (XRD) shows that NaCaZrMO{sub 6} has orthorhombic perovskite type structure (Pnma) and NaSrZrMO{sub 6} has cubic perovskite type structure (Pm3m). The grain morphology observation by scanning electron microscope (SEM) shows well-sintered grains. ac impedance spectra and electrical conductivity measurements in air, oxygen and nitrogen atmospheres indicate that they are probable oxide ion conductors with ionic conductivities of the order of 10{sup -3} S cm{sup -1} at 750 deg. C.

  15. Determination of refractory trace elements in Chinese meteorites by RNAA

    International Nuclear Information System (INIS)

    Kraehenbuehl, U.; Burger, M.

    1989-01-01

    Some refractory trace elements are important target elements for spallation reactions in meteorites. These elements also serve to characterize the investigated meteorites. The elements Ti, Y, Zr, Hf, W and Ta were measured after radiochemical separation in chondrites from China. After acid digestion of the irradiated samples, the group separations were obtained by precipitation reactions. The necessary radiochemical purification of the pure β emitter Y was realized on a Lewatite OC 1026 column. For all the other elements discrete gamma radiation was measured. (orig.)

  16. Semiquantitative spectrographic analysis of nuclear interest minerals and of various products

    International Nuclear Information System (INIS)

    Alvarez Gonzalez, F.; Roca Adell, M.; Fernandez Cellini, R.

    1958-01-01

    Because the great number of samples of various kinds receiving in the Chemical Division, minerals in the most part, for its complete analysis, a rapid spectrographic method has been developed. It permits the determination of the following elements with a semiquantitative character. Al, As, Ag, Au, B, Be, Bi, Ca, Cd, Ce, Co, Cr, Cu, Fe, Ga, Ge, Hf, Hn, In, K, La, Li, Mg, Mn, Mo, Na, Nb, P, Pb, Pt, Sb, Si, Sn, Sr, Ta, Ti, V, W, Y, Zn and Zr. (Author) 14 refs

  17. High Thermoelectric Figure of Merit by Resonant Dopant in Half-Heusler Alloys

    OpenAIRE

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-01-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in e...

  18. Semiquantitative spectrographic analysis of nuclear interest minerals and of various products; Analisis espectrografico semicuantitativo de minerales de interes nuclear y productos diversos

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez Gonzalez, F; Roca Adell, M; Fernandez Cellini, R

    1958-07-01

    Because the great number of samples of various kinds receiving in the Chemical Division, minerals in the most part, for its complete analysis, a rapid spectrographic method has been developed. It permits the determination of the following elements with a semiquantitative character. Al, As, Ag, Au, B, Be, Bi, Ca, Cd, Ce, Co, Cr, Cu, Fe, Ga, Ge, Hf, Hn, In, K, La, Li, Mg, Mn, Mo, Na, Nb, P, Pb, Pt, Sb, Si, Sn, Sr, Ta, Ti, V, W, Y, Zn and Zr. (Author) 14 refs.

  19. Microstructure evolution and mechanical properties of a Ti-35Nb-3Zr-2Ta biomedical alloy processed by equal channel angular pressing (ECAP).

    Science.gov (United States)

    Lin, Zhengjie; Wang, Liqiang; Xue, Xiaobing; Lu, Weijie; Qin, Jining; Zhang, Di

    2013-12-01

    In this paper, an equal channel angular pressing method is employed to refine grains and enhance mechanical properties of a new β Ti-35Nb-3Zr-2Ta biomedical alloy. After the 4th pass, the ultrafine equiaxed grains of approximately 300 nm and 600 nm are obtained at pressing temperatures of 500 and 600°C respectively. The SEM images of billets pressed at 500°C reveal the evolution of shear bands and finally at the 4th pass intersectant networks of shear bands, involving initial band propagation and new band broadening, are formed with the purpose of accommodating large plastic strain. Furthermore, a unique herringbone microstructure of twinned martensitic variants is observed in TEM images. The results of microhardness measurements and uniaxial tensile tests show a significant improvement in microhardness and tensile strength from 534 MPa to 765 MPa, while keeping a good level of ductility (~16%) and low elastic modulus (~59 GPa). The maximum superelastic strain of 1.4% and maximum recovered strain of 2.7% are obtained in the billets pressed at 500°C via the 4th pass, which exhibits an excellent superelastic behavior. Meanwhile, the effects of different accumulative deformations and pressing temperatures on superelasticity of the ECAP-processed alloys are investigated. © 2013. Published by Elsevier B.V. All rights reserved.

  20. 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...

  1. Long-term durability test of acid recovery evaporators made of Ti-5% Ta alloy and zirconium

    International Nuclear Information System (INIS)

    Takeuchi, Masayuki; Koizumi, Tsutomu; Koyama, Tomozo

    2001-05-01

    Mock-ups of acid recovery evaporators which are made of Ti-5% Ta alloy and Zr were tested under inactive condition for forty thousands hours to improve a corrosion resistance of acid recovery evaporator in Tokai reprocessing plant (TRP). The mock-up unit was designed and produced referring to the specification of acid recovery evaporator in TRP and the evaporation performance of the mock-up was 1/27 of TRP. A long-term durability of both evaporators was demonstrated by results of operation data, evaporation performance and corrosion resistance. The mock-up unit did not suffer from any trouble during the running test and the operation data such as temperature, flow, concentrations of nitric acid and metal ions were fairly stable within standard condition. As for the corrosion resistance, cracks and local corrosion such as intergranular attack were not observed on both evaporators after the running test, and a corrosion of weld was not selective. The average corrosion rates at measuring points were less than 0.1 mm/yr, respectively, however, thickness of the Ti-5% Ta alloy evaporator was slightly reduced at all points of vapor phase region. In addition, from the result by test coupon, it is found that both materials have low susceptibility to stress corrosion cracking in this environment. The destructive inspection showed that the mechanical properties of both materials were not degraded during the running test. Finally, the total running time of the mock-up unit is much more than a maximum running time of acid recovery evaporator made of stainless steel in TRP (nearly 15,000 hours). On the basis of the test results, an excellent durability of Ti-5% Ta alloy and Zr evaporators under was successfully demonstrated throughout the mock-up test from an engineering perspective. (author)

  2. TaEDS1 genes positively regulate resistance to powdery mildew in wheat.

    Science.gov (United States)

    Chen, Guiping; Wei, Bo; Li, Guoliang; Gong, Caiyan; Fan, Renchun; Zhang, Xiangqi

    2018-04-01

    Three EDS1 genes were cloned from common wheat and were demonstrated to positively regulate resistance to powdery mildew in wheat. The EDS1 proteins play important roles in plant basal resistance and TIR-NB-LRR protein-triggered resistance in dicots. Until now, there have been very few studies on EDS1 in monocots, and none in wheat. Here, we report on three common wheat orthologous genes of EDS1 family (TaEDS1-5A, 5B and 5D) and their function in powdery mildew resistance. Comparisons of these genes with their orthologs in diploid ancestors revealed that EDS1 is a conserved gene family in Triticeae. The cDNA sequence similarity among the three TaEDS1 genes was greater than 96.5%, and they shared sequence similarities of more than 99.6% with the respective orthologs from diploid ancestors. The phylogenetic analysis revealed that the EDS1 family originated prior to the differentiation of monocots and dicots, and EDS1 members have since undergone clear structural differentiation. The transcriptional levels of TaEDS1 genes in the leaves were obviously higher than those of the other organs, and they were induced by Blumeria graminis f. sp. tritici (Bgt) infection and salicylic acid (SA) treatment. The BSMV-VIGS experiments indicated that knock-down the transcriptional levels of the TaEDS1 genes in a powdery mildew-resistant variety of common wheat compromised resistance. Contrarily, transient overexpression of TaEDS1 genes in a susceptible common wheat variety significantly reduced the haustorium index and attenuated the growth of Bgt. Furthermore, the expression of TaEDS1 genes in the Arabidopsis mutant eds1-1 complemented its susceptible phenotype to powdery mildew. The above evidences strongly suggest that TaEDS1 acts as a positive regulator and confers resistance against powdery mildew in common wheat.

  3. Method of quantitative x-ray diffractometric analysis of Ta-Ta2C system

    International Nuclear Information System (INIS)

    Gavrish, A.A.; Glazunov, M.P.; Korolev, Yu.M.; Spitsyn, V.I.; Fedoseev, G.K.

    1976-01-01

    The syste86 Ta-Ta 2 C has beemonsidered because of specific features of diffraction patterns of the components, namely, overlapping of the most intensive reflexes of both phases. The method of standard binary system has been used for quantitative analysis. Because of overlapping of the intensive reflexes dsub(1/01)=2.36(Ta 2 C) and dsub(110)=2.33(Ta), the other, most intensive, reflexes have been used for quantitative determination of Ta 2 C and Ta: dsub(103)=1.404 A for tantalum subcarbide and dsub(211)=1.35A for tantalum. Besides, the TaTa 2 C phases have been determined quantitatively with the use of another pair of reflexes: dsub(102)=1.82 A for Ta 2 C and dsub(200)=1.65 A for tantalum. The agreement between the results obtained while performing the quantitative phase analysis is good. To increase reliability and accuracy of the quantitative determination of Ta and Ta 2 C, it is expedient to carry out the analysis with the use of two above-mentioned pairs of reflexes located in different regions of the diffraction spectrum. Thus, the procedure of quantitative analysis of Ta and Ta 2 C in different ratios has been developed taking into account the specific features of the diffraction patterns of these components as well as the ability of Ta 2 C to texture in the process of preparation

  4. Optimizing AlF{sub 3} atomic layer deposition using trimethylaluminum and TaF{sub 5}: Application to high voltage Li-ion battery cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, David H. K., E-mail: david.jackson@wisc.edu; Kuech, Thomas F. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Chemical and Biological Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Laskar, Masihhur R.; Ellis, Ryan G. [Department of Chemical and Biological Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Fang, Shuyu; Hamers, Robert J. [Department of Chemistry, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Xu, Shenzhen; Li, Xiaoqing; Morgan, Dane [Department of Materials Science and Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Dreibelbis, Mark [Core R& D, Inorganic Materials and Heterogeneous Catalysis, The Dow Chemical Company, Midland, Michigan 48674 (United States); Babcock, Susan E. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Materials Science and Engineering, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States); Mahanthappa, Mahesh K. [Materials Science Program, University of Wisconsin–Madison, Madison, Wisconsin 53706 and Department of Chemistry, University of Wisconsin–Madison, Madison, Wisconsin 53706 (United States)

    2016-05-15

    Atomic layer deposition (ALD) of conformal AlF{sub 3} coatings onto both flat silicon substrates and high-voltage LiNi{sub 0.5}Mn{sub 0.3}Co{sub 0.2}O{sub 2} (NMC) Li-ion battery cathode powders was investigated using a Al(CH{sub 3}){sub 3}/TaF{sub 5} precursor combination. This optimized approach employs easily handled ALD precursors, while also obviating the use of highly toxic HF(g). In studies conducted on planar Si wafers, the film's growth mode was dictated by a competition between the desorption and decomposition of Ta reaction byproducts. At T ≥ 200 °C, a rapid decomposition of the Ta reaction byproducts to TaC led to continuous deposition and high concentrations of TaC in the films. A self-limited ALD growth mode was found to occur when the deposition temperature was reduced to 125 °C, and the TaF{sub 5} exposures were followed by an extended purge. The lower temperature process suppressed conversion of TaF{sub x}(CH{sub 3}){sub 5−x} to nonvolatile TaC, and the long purges enabled nearly complete TaF{sub x}(CH{sub 3}){sub 5−x} desorption, leaving behind the AlF{sub 3} thin films. NMC cathode powders were coated using these optimized conditions, and coin cells employing these coated cathode particles exhibited significant improvements in charge capacity fade at high discharge rates.

  5. 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.

  6. Progressive enrichment of arc magmas caused by the subduction of seamounts under Nishinoshima volcano, Izu-Bonin Arc, Japan

    Science.gov (United States)

    Sano, Takashi; Shirao, Motomaro; Tani, Kenichiro; Tsutsumi, Yukiyasu; Kiyokawa, Shoichi; Fujii, Toshitsugu

    2016-06-01

    The chemical composition of intraplate seamounts is distinct from normal seafloor material, meaning that the subduction of seamounts at a convergent margin can cause a change in the chemistry of the mantle wedge and associated arc magmas. Nishinoshima, a volcanic island in the Izu-Bonin Arc of Japan, has been erupting continuously over the past 2 years, providing an ideal opportunity to examine the effect of seamount subduction on the chemistry of arc magmas. Our research is based on the whole-rock geochemistry and the chemistry of minerals within lavas and air-fall scoria from Nishinoshima that were erupted before 1702, in 1973-1974, and in 2014. The mineral phases within the analyzed samples crystallized under hydrous conditions (H2O = 3-4 wt.%) at temperatures of 970 °C-990 °C in a shallow (3-6 km depth) magma chamber. Trace element data indicate that the recently erupted Nishinoshima volcanics are much less depleted in the high field strength elements (Nb, Ta, Zr, Hf) than other volcanics within the Izu-Bonin Arc. In addition, the level of enrichment in the Nishinoshima magmas has increased in recent years, probably due to the addition of material from HIMU-enriched (i.e., high Nb/Zr and Ta/Hf) seamounts on the Pacific Plate, which is being subducted westwards beneath the Philippine Sea Plate. This suggests that the chemistry of scoria from Nishinoshima volcano records the progressive addition of components derived from subducted seamounts.

  7. 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)

  8. Interphase Constituent of Laminated Composites Ti46Zr26Cu17Ni11

    Directory of Open Access Journals (Sweden)

    XU Bingtong

    2017-10-01

    Full Text Available Thermal analysis of the Ti46Zr26Cu17Ni11 amorphous ribbon prepared by melt spinning was conducted by using DSC. Accordingly the amorphous alloy was treated by vacuum heat treatment at 693 K (Tg, 753 K (Tg-Tx1 and 813 K (> Tx1 for different time to analyze the crystallization behavior. Taking Ti46Zr26Cu17Ni11 amorphous alloy, TA2 and pure Al as raw materials, laminated composites were fabricated by Gleeble-3500 thermal simulator at 873 K, 10 MPa and 8 h. The phase composition, precipitation order and properties of interface layers were investigated by SEM, TEM, micro hardness tester, combined thermodynamics and element diffusion theory. The results indicate that the glass transition temperature Tg of Ti46Zr26Cu17Ni11 amorphous is 720 K and the initial crystallization temperature Tx1 is 788 K. The I phase is crystallized from the amorphous at first, followed by a ternary or quaternary Laves phase and a TiNi phase precipited. After hot pressing, the interface between pure Al and crystallization layer is divided into two parts, which are Al3Ni with small thickness and Al3(Ti0.6Zr0.4 with fine grain and uniform microstructure. The interfaces are straight and there are no defects, with a thickness ratio of about 6.5:1 compared with interface layer between pure Ti with Al. The hardness of Al3(Ti0.6Zr0.4 and Al3Ti are 564.2HV and 579.8HV respectively. The plasticity of Al3(Ti0.6Zr0.4 layer is better.

  9. 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)

  10. 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

  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. 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)

  13. 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)

  14. Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers

    OpenAIRE

    Sun, Xiaoli; Wang, Zhiguo

    2017-01-01

    Using first principles calculations, we studied the stability and electronic properties of transition metal dichalcogenide monolayers of the type MX2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te). The adsorption and diffusion of lithium on the stable MX2 phase was also investigated for potential application as an anode for lithium ion batteries. Some of these compounds were found to be stable in the 2H phase and some are in the 1T or 1T' phase, but only a few of them were stable in bot...

  15. 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

  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. 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.

  18. Alteration of Eudialyte and implications for the REE, ZR, and NB resources of the layered Kakortokites in the ILÍMAUSSAQ intrusion, South West Greenland

    DEFF Research Database (Denmark)

    Borst, Anouk Margaretha; Waight, Tod Earle; Smit, Matthijs Arjen

    2014-01-01

    The layered kakortokites in the southern part of the Ilímaussaq Intrusion are of great economic interest due to their high concentrations of REE, Zr, Nb and Ta. The prospective metals are largely contained in eudialyte, a complex sodium‐zirconosilicate and one of the major cumulus phases. Eudialyte...

  19. Effect of Ta content on martensitic transformation behavior of RuTa ultrahigh temperature shape memory alloys

    International Nuclear Information System (INIS)

    He Zhirong; Zhou Jingen; Furuya, Y.

    2003-01-01

    Effects of Ta content on martensitic transformation (MT) behavior of Ru 100-x Ta x (x=46-54 at.%) alloys have been investigated by differential scanning calorimetry, dilatometry, X-ray diffraction and optical microscopy. Ta content significantly affects the MT behavior of RuTa alloys. The one-stage reservible MT occurs in Ta-poor RuTa alloys with Ta content less than 49 at.%. The two-stage reservible MT takes place in near-equiatomic RuTa alloys. No reservible MT is observed in Ta-rich alloys with Ta content more then 52 at.% Ta. The MT temperatures and hysteresis of RuTa alloys decrease with increasing Ta content. The aged and thermal cycled processes are nearly no effect on the MT behavior of these alloys. The deforming way of RuTa alloys is twinning. The Ru 50 Ta 50 alloy is of the most excellent MT behavior among these RuTa alloys

  20. MRI-compatible Nb–60Ta–2Zr alloy used for vascular stents: Haemocompatibility and its correlation with protein adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiu-Mei [School of Stomatology, China Medical University, 117 Nanjing North Street, Shenyang 110002 (China); Li, Hui-Zhe; Wang, Shao-Ping [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Huang, Hsun-Miao; Huang, Her-Hsiung [Biomaterials and Electrochemistry Lab, Department of Dentistry, National Yang-Ming University, Taipei City 112, Taiwan (China); Ai, Hong-Jun, E-mail: aih0620@yahoo.com.cn [School of Stomatology, China Medical University, 117 Nanjing North Street, Shenyang 110002 (China); Xu, Jian, E-mail: jianxu@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

    2014-09-01

    Nb–60Ta–2Zr is a newly developed MRI-compatible alloy used for vascular stents. In this work, its haemocompatibility was investigated, including platelet adhesion (lactate dehydrogenase activity), platelet activation (P-selectin expression), coagulation and haemolysis. For comparison, parallel assessments for these factors were performed for the niobium, tantalum, 316L stainless steel (316L SS) and L605 Co–Cr alloy (L605). In addition, albumin and fibrinogen were selected to examine the correlation of protein adsorption with platelet adhesion and metal surface properties. The propensity for platelet adhesion and activation on the Nb–60Ta–2Zr alloy was at nearly the same level as that for Nb and Ta but was slightly less than those of 316L SS and L605. The mitigated platelet adhesion and activation of the Nb–60Ta–2Zr alloy is associated with its decreased adsorption of fibrinogen. The Nb–60Ta–2Zr alloy has a longer clotting time and exhibits significantly superior thromboresistance than 316L SS and L605. Moreover, the haemolysis rate of the Nb–60Ta–2Zr alloy satisfies the bio-safety requirement of the ISO 10993–4 standard. The favourable haemocompatiblity of the Nb–60Ta–2Zr alloy provides evidence of its good biocompatibility and of its suitability as a candidate stent material. - Highlights: • The Nb–60Ta–2Zr alloy is less hydrophobic than the 316L SS and L605 alloy. • The Nb–60Ta–2Zr has slightly weak propensity for platelet adhesion and activation. • The Nb–60Ta–2Zr alloy results in a longer clotting time. • Haemolysis of Nb–60Ta–2Zr is slightly lower than that of 316L SS and L605. • The Nb–60Ta–2Zr alloy is a promising MRI-compatible stent material.

  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. 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.)

  3. Influence of cobalt, tantalum, and tungsten on the microstructure and mechanical properties of superalloy single crystals

    International Nuclear Information System (INIS)

    Nathal, M.V.; Ebert, L.J.

    1982-01-01

    The influence of Co, Ta, and W on the microstructure and mechanical properties of nickel base super-alloy single crystals was investigated. A matrix of alloys was based on Mar-M 247 stripped of C, B, Zr, and Hf. The microstructures of the alloys were examined using optical and electron microscopy, phase extraction, X-ray diffraction, and differential thermal analysis. Tensile and creep-rupture tests were performed at 1000 C. An increase in tensile and creep strength resulted when Co was removed from alloys containing high refractory metal contents, but Co effects were negligible for alloys with lower refractory metal levels. In the composition range studied, W was more effective than Ta in increasing the creep resistance. The mechanical properties are discussed in relation to the microstructures of the alloys

  4. Influence of cobalt, tantalum, and tungsten on the microstructure and mechanical properties of superalloy single crystals

    Science.gov (United States)

    Nathal, M. V.; Ebert, L. J.

    1982-01-01

    The influence of Co, Ta, and W on the microstructure and mechanical properties of nickel base super-alloy single crystals was investigated. A matrix of alloys was based on Mar-M 247 stripped of C, B, Zr, and Hf. The microstructures of the alloys were examined using optical and electron microscopy, phase extraction, X-ray diffraction, and differential thermal analysis. Tensile and creep-rupture tests were performed at 1000 C. An increase in tensile and creep strength resulted when Co was removed from alloys containing high refractory metal contents, but Co effects were negligible for alloys with lower refractory metal levels. In the composition range studied, W was more effective than Ta in increasing the creep resistance. The mechanical properties are discussed in relation to the microstructures of the alloys.

  5. Oxidation kinetics of some zirconium alloys in flowing carbon dioxide at high temperatures

    International Nuclear Information System (INIS)

    Kohli, R.

    1980-01-01

    The oxidation kinetics of three zirconium alloys (Zr-2.2 wt% Hf, Zr-2.5 wt% Nb, and Zr-3 wt% Nb-1 wt% Sn) have been measured in flowing carbon dioxide in the temperature range from 873 to 1173 K to 120 ks (2000 min). At all oxidation temperatures, Zr-2.5 Nb and Zr-3 Nb-1 Sn showed a transition to rapid linear kinetics after initial parabolic oxidation. The Zr-2.2 Hf showed this transition at temperatures in the range from 973 to 1173 K; at 873 K, no transition was observed within the oxidation times reported. The Zr-2.2 Hf showed the smallest weight gains, followed in order by Zr-2.5 Nb and Zr-3 Nb-1 Sn. Increased oxidation rates and shorter times-to-rate-transition of Zr-2.2 Nb and Zr-1 Sn as compared with Zr-2.2 Hf can be attributed to the presence of niobium, tin, and hafnium in the alloys. This is considered in terms of the Nomura-Akutsu model, according to which hafnium should delay the rate transition, while niobium and tin lead to shorter times-to-rate-transition. The scale on Zr-2.2 Hf was identified as monoclinic zirconia, while the tetragonal phase, 6ZrO 2 .Nb 2 O 5 , was contained in the monoclinic zirconia scales on both other alloys

  6. 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

  7. 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.

  8. 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.

  9. Effect of chemistry modifications and heat treatments on the mechanical properties of DS Mar-M200 superalloy

    International Nuclear Information System (INIS)

    Yunrong, Z.; Yuping, W.; Jizhou, X.; Caron, P.; Khan, T.

    1988-01-01

    This paper discusses how Hf and Zr can promote the formation of eutectic (γ + γ), MC 2 , and Ni 5 M phases. In the alloy with equal atomic percent Zr and Hf, the solubility of Zr in eutectic γ is lower than that of Hf, and Zr content in Ni 5 M is much higher than Hf. This distribution of Zr is beneficial to the formation of Ni 5 M and lowers the strengthening efficiency of Zr. A pretreatment of 1130 degrees C/3hr efficiently eliminates Ni 5 M and, as a consequence, increases the incipient melting temperature of the alloy. The precipitation treatment of 1100 degrees C/4hr leads to cuboidal γ precipitation of about 0.5 μm size and causes the Hf-containing alloy to have a much higher creep strength than the Hf-free alloy in the temperature range of 760 to 1050 degrees C. The Hf-containing alloy showed greater LCF (low cycle fatigue) life in comparison to the Hf-free alloy. A similar tendency was found when Zr was either partially or totally substituted for Hf. A higher rate of solidification facilitates enhanced LCF life due to a finer structure and more perfect orientation. Surface slip analysis showed that intersection of two sets of slip in adjacent grains occurred in the Hf-free and HF-containing alloys, but cracking at the columnar grain boundary easily took place in the Hf-free alloy. The number of surface cracks of LCF specimens and their length per unit area are much higher in the Mar-M200 alloy. Mc cracking preferentially occurs at long rod-shaped carbides perpendicular to the stress axis, and then propagates through the interdendritic region. The Hf-containing alloy cracks along the crystallographic planes by separation of slip bands

  10. 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...

  11. 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

  12. Effect of γ-dose on the crystal structure and leaching behavior of TiO2 matrix labeled with 181Hf/181Ta tracer

    International Nuclear Information System (INIS)

    Banerjee, D.; Guin, R.; Das, S.K.; Thakare, S.V.

    2011-01-01

    A new method for the possible incorporation of nuclear wastes has been attempted here by using ceramic matrix of TiO 2 as a host precursor for confinement. Hafnium is used as a simulant for actinide high-level waste. After incorporating 181 Hf tracer into TiO 2 matrix, the leaching property of the resulting matrix was studied in water, sodium chloride and humic acid solutions. The leaching was measured in each of the case by following the radioactivity of 181 Hf. TiO 2 matrix has also been exposed to γ-radiation in order to simulate the radiation field for nuclear waste. It has been investigated with a nuclear technique called time differential perturbed Angular Correlation (TDPAC) that the lattice structure of titania remains undisturbed even under a strong radiation field. The leaching of 181 Hf has also been studied after irradiating the TiO 2 matrix with ?-radiation and the leaching behavior was observed not to change from that before irradiation. (author)

  13. 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

  14. Investigation of TaC–TaB2 ceramic composites

    Indian Academy of Sciences (India)

    ture and the mechanical properties of the composites were investigated. The results .... 300 nm. Jingangzuan in the TaC/TaB2 composites SPS for 10 min at different temperatures are .... [1] Liu L, Yea F, Hea X and Zhoua Y 2011 Mater. Chem.

  15. 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.

  16. 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

  17. 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.

  18. 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...

  19. 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.

  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. 75 FR 43556 - TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel...

    Science.gov (United States)

    2010-07-26

    ... DEPARTMENT OF LABOR Employment and Training Administration TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel, MT; TA-W-73,381C, Livingston, MT; TA-W-73... Helena, Montana. The amended notice applicable to TA-W-73,381 is hereby issued as follows: All workers of...

  2. 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)

  3. Ferromagnetic bulk glassy alloys

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Makino, Akihiro; Mizushima, Takao

    2000-01-01

    This paper deals with the review on the formation, thermal stability and magnetic properties of the Fe-based bulk glassy alloys in as-cast bulk and melt-spun ribbon forms. A large supercooled liquid region over 50 K before crystallization was obtained in Fe-(Al, Ga)-(P, C, B, Si), Fe-(Cr, Mo, Nb)-(Al, Ga)-(P, C, B) and (Fe, Co, Ni)-Zr-M-B (M=Ti, Hf, V, Nb, Ta, Cr, Mo and W) systems and bulk glassy alloys were produced in a thickness range below 2 mm for the Fe-(Al, Ga)-(P, C, B, Si) system and 6 mm for the Fe-Co-(Zr, Nb, Ta)-(Mo, W)-B system by copper-mold casting. The ring-shaped glassy Fe-(Al, Ga)-(P, C, B, Si) alloys exhibit much better soft magnetic properties as compared with the ring-shaped alloy made from the melt-spun ribbon because of the formation of the unique domain structure. The good combination of high glass-forming ability and good soft magnetic properties indicates the possibility of future development as a new bulk glassy magnetic material

  4. A Heavy Metal Atmospheric Deposition Study in the South Ural Mountains

    CERN Document Server

    Frontasyeva, M V; Steinnes, E; Lyapunov, S M; Cherchintsev, V D

    2002-01-01

    Samples of the mosses Hylocomium splendens and Pleurozium schreberi, collected in the summer of 1998, were used to study the atmospheric deposition of heavy metals and other toxic elements in the Chelyabinsk Region situated in the South Ural, one of the most heavily polluted industrial areas of the Russian Federation. Samples of natural soils were collected simultaneously with moss at the same 30 sites in order to investigate surface accumulation of heavy metals and to examine the correlation of elements in moss and soil samples in order to separate contributions from atmospheric deposition and from soil minerals. A total of 38 elements (Na, Mg, Al, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Zn, As, Se, Rb, Sr, Zr, Mo, Sb, Cs, Ba, La, Ce, Nd, Sm, Eu, Gd, Tb, Dy, Yb, Hf, Ta, W, Au, Th, U) in soil and 33 elements (Na, Mg, Al, Cl, K, Ca, Sc, V, Cr, Mn, Fe, Co, Ni, Zn, As, Se, Br, Rb, Ag, Sb, Cs, Ba, La, Ce, Sm, Tb, Yb, Hf, Ta, W, Au, Th, U) in mosses were determined by epithermal neutron activation analysis. The elem...

  5. INTERACTION STUDIES OF CERAMIC VACUUM PLASMA SPRAYING FOR THE MELTING CRUCIBLE MATERIALS

    Directory of Open Access Journals (Sweden)

    JONG HWAN KIM

    2013-10-01

    Full Text Available Candidate coating materials for re-usable metallic nuclear fuel crucibles, TaC, TiC, ZrC, ZrO2, and Y2O3, were plasma-sprayed onto a niobium substrate. The microstructure of the plasma-sprayed coatings and thermal cycling behavior were characterized, and U-Zr melt interaction studies were carried out. The TaC and Y2O3 coating layers had a uniform thickness, and high density with only a few small closed pores showing good consolidation, while the ZrC, TiC, and ZrO2 coatings were not well consolidated with a considerable amount of porosity. Thermal cycling tests showed that the adhesion of the TiC, ZrC, and ZrO2 coating layers with niobium was relatively weak compared to the TaC and Y2O3 coatings. The TaC and Y2O3 coatings had better cycling characteristics with no interconnected cracks. In the interaction studies, ZrC and ZrO2 coated rods showed significant degradations after exposure to U-10 wt.% Zr melt at 1600°C for 15 min., but TaC, TiC, and Y2O3 coatings showed good compatibility with U-Zr melt.

  6. 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.)

  7. Inorganic gas chromatography - the separation of volatile chlorides by thermochromatography combined with complex formation

    International Nuclear Information System (INIS)

    Tsalas, S.; Baechmann, K.

    1978-01-01

    Separations of the volatile chlorides of I, Te, Sb, Sn, In, Cd, Zr, Hf, Nb, Ta, Mo, Tc, Re, Ru and Os are described. The tube used for the separations has a temperature gradient from 600 0 C to 25 0 C, and is coated with KCl, CsCl, NaCl and BaCl 2 . It is possible to deposit the different compounds at characteristic positions, so that this technique can be used as an on-line chromatographic method. Fission products of uranium-235 were examined. The distribution of the different nuclides was measured with gamma spectrometry. (Auth.)

  8. Soft Magnetic Properties of Nanocrystalline Fe-M-(B and/or O)(M=Group IV A, V A Elements) Alloy Films

    OpenAIRE

    Hayakawa, Y.; Makino, A.; Inoue, A.; Masumoto, T.

    1996-01-01

    In Fe-M-(B and/or O)(M=group IV A, V A elements) alloy films, nanocrystalline bcc phase are formed by annealing the amorphous single phase for Fe-M-B films, whereas the bcc nanocrystals are already formed in an as-deposited state for Fe-M-O or Fe-M-B-O) films. Among Fe-M-B films with various M elements, Fe-(Zr, Hf, Nb, Ta)-B alloy films exhibit high saturation magnetization (Is) above 1.4 T and high relative permeability (|μ|) above 1000 at 1MHz. The highest |μ| of 3460 at 1MHz is obtained fo...

  9. Erosion of the 4-6- and 8 group transition metals under intense laser radiation

    International Nuclear Information System (INIS)

    Samsonov, G.V.; Verkhoturov, A.D.; Roshchina, A.I.; Vasil'ev, A.V.; Klimenko, V.P.

    1976-01-01

    The erosion resistance is studied of transition metals of Groups 4-6 and 8 at laser emission of approximately 6x1O 7 W/cm 2 . It is shown that as the emission power increases from 10 6 to 6x10 7 W/cm 2 the erosion values show an increase over tenfold without any subsequent filling of the craters. The growth of the metallic erosion is largely caused by a greater crater diameter. The erosion resistance of metals enhances in the following series: Ti-Zr-Co-Ni-Fe, Hf-V-Nb-Mo-Cr-Ta-W-Cu

  10. 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

  11. 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

  12. 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

  13. 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

  14. High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs

    Science.gov (United States)

    Guo, ZhaoPeng; Lu, PengChao; Chen, Tong; Wu, JueFei; Sun, Jian; Xing, DingYu

    2018-03-01

    In this study, we used the crystal structure search method and first-principles calculations to systematically explore the highpressure phase diagrams of the TaAs family (NbP, NbAs, TaP, and TaAs). Our calculation results show that NbAs and TaAs have similar phase diagrams, the same structural phase transition sequence I41 md→ P6¯ m2→ P21/ c→ Pm3¯ m, and slightly different transition pressures. The phase transition sequence of NbP and TaP differs somewhat from that of NbAs and TaAs, in which new structures emerge, such as the Cmcm structure in NbP and the Pmmn structure in TaP. Interestingly, we found that in the electronic structure of the high-pressure phase P6¯ m2-NbAs, there are coexistingWeyl points and triple degenerate points, similar to those found in high-pressure P6¯ m2-TaAs.

  15. 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.

  16. Oxidative addition of diphenyl disulfide across a Ta=Ta bond. Preparation and characterization of [TaCl3(Me2S)]2(μ-SPh)2

    International Nuclear Information System (INIS)

    Campbell, G.C.; Canich, J.A.M; Cotton, F.A.; Duraj, S.A.; Haw, J.F.

    1986-01-01

    The tantalum complex (SMe 2 )Cl 2 Ta(μ-Cl) 2 (μ-SMe 2 )TaCl 2 (SMe 2 ), possessing a sigma 2 π 2 Ta=Ta double bond, reacts readily with PhSSPh to give (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 2 (SMe 2 ). In this reaction, the starting material loses the bridging SMe 2 ligand and two chloride bridges are broken while only two new SPh bridges are formed in the final product. This oxidative-addition reaction of the S-S single bond to the Ta=Ta double bond converts the face-sharing bioctahedron structure of the starting compound to an edge-sharing bioctahedron structure in the final dimer, with concomitant change of the oxidation state of tantalum from III to IV. The product is the first example of a d 1 -d 1 ditantalum thiolate-bridged dimer. Important structural data for (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 3 (SMe 2 ), which has an inversion center, are determined. The new compound crystallizes in the monoclinic space group C2/c with a = 17.934 (5) A, b = 12.445 (4) A, c = 11.705 (4) A, β = 92.50 (3) 0 , V = 2610 (2) A 3 , and Z = 4. Solid-state 13 C NMR spectroscopy with cross polarization and magic-angle spinning (CP/MAS) at 28 and -103 0 C provides evidence that this compound is diamagnetic. 12 references, 3 figures, 4 tables

  17. Web TA Production (WebTA)

    Data.gov (United States)

    US Agency for International Development — WebTA is a web-based time and attendance system that supports USAID payroll administration functions, and is designed to capture hours worked, leave used and...

  18. 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)

  19. 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

  20. Density of salt melts containing KF, KCl, K2TaF7 and Ta2O5

    International Nuclear Information System (INIS)

    Agulyanskij, A.I.; Stangrit, P.T.; Konstantinov, V.I.

    1978-01-01

    The results of density measurements by hydrostatic weighing are given for molten K 2 TaF 7 - KF, K 2 TaF 7 -KCL, K 2 TaF 7 - KF - KCl and K 2 TaF 7 - KF - KCl - Ta 2 O 5 mixtures depending on their temperature and composition. The density of the last two systems was measured at compositions close to those of commercial electrolytes. The obtained specific volume - composition dependencies show that no interaction is taking place in the mixtures studied. It is, therefore, believed that, in the K 2 TaF 7 - KF melt, tantalum is mainly present as a complex TaF 7 2- ion, and, in the K 2 TaF 7 - KCl mlt, a certain amount of TaF 6 - ions may be formed along with TaF 7 2-

  1. 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)

  2. Separation of zirconium from hafnium by ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Felipe, Elaine C.B.; Palhares, Hugo G.; Ladeira, Ana Claudia Q., E-mail: elainecfelipe@yahoo.com.br, E-mail: hugopalhares@gmail.com, E-mail: ana.ladeira@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2013-07-01

    Zirconium and hafnium are two of the most important metals for the nuclear industry. Hafnium occurs in all zirconium ores usually in the range 2 - 3%. However, for the most nuclear industry applications, it is necessary to use a zirconium of extremely pure level. The current work consists in the separation of zirconium and hafnium by the ion exchange method in order to obtain a zirconium concentrate of high purity. The zirconium and hafnium liquors were produced from the leaching of the Zr(OH){sub 4} and Hf(OH){sub 4} with nitric acid for 24 hours. From these two liquors it was prepared one solution containing 7.5 x 10{sup -2} mol L{sup -1} of Zr and 5.8 x 10{sup -3} mol L{sup -1} of Hf with acidity of 1 M. Ion exchange experiments were carried out in batch with the resins Dowex 50WX4, Dowex 50WX8 100, Dowex 50WX8 50, Amberlite IR-120 and Marathon C at constant temperature 28 deg C. Other variables such as, acidity and agitation were kept constant. The data were adjusted to Langmuir equation in order to calculate the maximum loading capacity (q{sub max}) of the resins, the distribution coefficient (K{sub d}) for Zr and Hf and the separation factor (α{sub Hf}{sup Zr} ). The results of maximum loading capacity (q{sub max}) for Zr and Hf, in mmol g{sup -}1, showed that the most suitable resins for columns experiments are: Dowex 50WX4 50 (q{sub max} Z{sub r} = 2.21, Hf = 0.18), Dowex 50WX8 50 (q{sub max} Zr = 1.89, Hf = 0.13) and Amberlite (q{sub max} Zr = 1.64, Hf = 0.12). However, separations factors, α{sub Hf}{sup Zr}, showed that the resins are not selective. (author)

  3. 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

  4. ZZ ANSLV, Multigroup Cross Sections Library for ANS Reactor Design Studies

    International Nuclear Information System (INIS)

    2000-01-01

    A - Description of program or function: - Format: AMPX Master Interface Library format. Number of groups: Fine Group (99 energy groups) General Purpose Neutron Library. Materials: H, He, Be, B, Graphite, N, O, Na, Mg, Al, Si, K, Ti, V, Cr, Mn, Fe, Co, Ni, Kr, Zr, Mo, Tc, Ru, Ag, Cd, Cs, Ce, Pr, Pm, Sm, Eu, Hf, Ta, U, C, F, Cu, Sn, Pb, Rh, I, Xe, Nd, Th, Np, Pu, Am, Cm, Bk, Cf, Es, MAFP, WAFP. Origin: ENDF/B-V. - Format: AMPX Master Interface Library format. Number of groups: Broad Group (39 energy groups) General Purpose Neutron Library. Materials: H, He, Be, B, Graphite, N, O, Na, Mg, Al, Si, K, Ti, V, Cr, Mn, Fe, Co, Ni, Kr, Zr, Mo, Tc, Ru, Ag, Cd, Cs, Ce, Pr, Pm, Sm, Eu, Hf, Ta, U, C, F, Cu, Sn, Pb, Rh, I, Xe, Nd, Th, Np, Pu, Am, Cm, Bk, Cf, Es, MAFP, WAFP. Origin: ENDF/B-V. - Format: AMPX Master Interface Library format. Number of groups: Gamma-Ray Interaction (GRI) Library in 44-groups. Materials: H, He, Be, B, C, N, O, Na, Mg, Al, Si, K, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Mo, Ag, Cd, Xe, Sm, Eu, Hf, Ta, Ir, Pb, Th, U, Pu. Origin: ENDF/B-V; LENDL-V evaluations for 12 materials. - Format: AMPX Master Interface Library format. Number of groups: Coupled Library containing (CNG) 99-group neutron and 44-group gamma-ray data. Materials: H, Be, B, C, N, O, Na, Mg, Al, Si, K, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Mo, Ag, Cd, Eu, Hf, Ta, Pb, Th, U, Pu. Origin: ENDF/B-V. - Format: AMPX Master Interface Library format. Number of groups: Coupled neutron-gamma (CNG) Library containing 39-group, and 44-group gamma-ray data. Materials: H, Be, B, C, N, O, Na, Mg, Al, Si, K, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Mo, Ag, Cd, Eu, Hf, Ta, Pb, Th, U, Pu. Origin: ENDF/B-V. Weighting spectrum: Maxwellian 300 K + 1/(E*sigma-total) + fission spectrum4 types of boundaries have been used depending isotope and library type (see report). Pseudo-problem-independent, multigroup cross section libraries were generated to support the Advanced Neutron source (ANS) reactor design studies. The ANS was

  5. 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}.

  6. 78 FR 28627 - TA-W-80,340; TA-W-80,340A; TA-W-80,340B

    Science.gov (United States)

    2013-05-15

    ...] Bush Industries, Inc., Mason Drive Facility, Including On-Site Leased Workers From Morris Security...., Mason Drive Facility, Jamestown, New York (TA-W-80,340) and Bush Industries, Inc., Allen Street Facility... applicable to TA-W-80,340 is hereby issued as follows: All workers of Bush Industries, Inc., Mason Drive...

  7. 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

  8. Uniform Self-rectifying Resistive Switching Behavior via Preformed Conducting Paths in a Vertical-type Ta2O5/HfO2-x Structure with a Sub-μm(2) Cell Area.

    Science.gov (United States)

    Yoon, Jung Ho; Yoo, Sijung; Song, Seul Ji; Yoon, Kyung Jean; Kwon, Dae Eun; Kwon, Young Jae; Park, Tae Hyung; Kim, Hye Jin; Shao, Xing Long; Kim, Yumin; Hwang, Cheol Seong

    2016-07-20

    To replace or succeed the present NAND flash memory, resistive switching random access memory (ReRAM) should be implemented in the vertical-type crossbar array configuration. The ReRAM cell must have a highly reproducible resistive switching (RS) performance and an electroforming-free, self-rectifying, low-power-consumption, multilevel-switching, and easy fabrication process with a deep sub-μm(2) cell area. In this work, a Pt/Ta2O5/HfO2-x/TiN RS memory cell fabricated in the form of a vertical-type structure was presented as a feasible contender to meet the above requirements. While the fundamental RS characteristics of this material based on the electron trapping/detrapping mechanisms have been reported elsewhere, the influence of the cell scaling size to 0.34 μm(2) on the RS performance by adopting the vertical integration scheme was carefully examined in this work. The smaller cell area provided much better switching uniformity while all the other benefits of this specific material system were preserved. Using the overstressing technique, the nature of RS through the localized conducting path was further examined, which elucidated the fundamental difference between the present material system and the general ionic-motion-related bipolar RS mechanism.

  9. 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

  10. 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.

  11. Clinical trials update from the Heart Failure Society of America Meeting 2009: FAST, IMPROVE-HF, COACH galectin-3 substudy, HF-ACTION nuclear substudy, DAD-HF, and MARVEL-1.

    Science.gov (United States)

    Lainscak, Mitja; Coletta, Alison P; Sherwi, Nasser; Cleland, John G F

    2010-02-01

    This article presents findings and a commentary on late-breaking trials presented during the meeting of the Heart Failure Society of America in September 2009. Unpublished reports should be considered as preliminary, since analyses may change in the final publication. The FAST trial showed somewhat better performance of intrathoracic impedance for prediction of deterioration in patients with heart failure (HF) when compared with daily weighing. The IMPROVE-HF study reported the benefits of education on the management of patients with systolic HF. Galectin-3 appeared a useful method for improving risk stratification of patients with chronic HF in a substudy of the COACH trial. A nuclear substudy of the HF-ACTION trial failed to demonstrate that resting myocardial perfusion imaging, a measure of myocardial scar and viability, was clinically useful. A small randomized controlled trial (DAD-HF) suggested that the use of low-dose dopamine in patients with acutely decompensated HF was associated with less deterioration in renal function and less hypokalaemia. The MARVEL-1 trial raises further concerns about the safety of myoblast transplantation in ischaemic HF.

  12. 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.

  13. 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.

  14. 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/

  15. 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.

  16. 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.)

  17. Upper critical fields in multifilamentary NbTi alloy superconducting wires

    International Nuclear Information System (INIS)

    Watanabe, Kazuo; Muto, Yoshio; Noto, Koshichi.

    1991-01-01

    In order to improve the high field performance of superconducting magnets, the upper critical field B c2 for practical multifilamentary alloy wires of NbTi, NbTiTa and NbTiHf were examined in respect with the usage of a pressurized superfluid cooling technique. The addition of Ta or Hf to NbTi enhanced by 0.5 T for B c2 at 1.8 K. Although the addition of a heavy element such as Ta or Hf has been regarded as suppressing Pauli-paramagnetism so far, it was found that the mechanism for B c2 enhancement by Hf addition is different from that by Ta addition. (author)

  18. Membranes for separation of carbon dioxide

    Science.gov (United States)

    Ku, Anthony Yu-Chung [Rexford, NY; Ruud, James Anthony [Delmar, NY; Ramaswamy, Vidya [Niskayuna, NY; Willson, Patrick Daniel [Latham, NY; Gao, Yan [Niskayuna, NY

    2011-03-01

    Methods for separating carbon dioxide from a fluid stream at a temperature higher than about 200.degree. C. with selectivity higher than Knudsen diffusion selectivity include contacting a porous membrane with the fluid stream to preferentially transport carbon dioxide. The porous membrane includes a porous support and a continuous porous separation layer disposed on a surface of the porous support and extending between the fluid stream and the porous support layer. The porous support comprises alumina, silica, zirconia, stabilized zirconia, stainless steel, titanium, nickel-based alloys, aluminum-based alloys, zirconium-based alloys or a combination thereof. Median pore size of the porous separation layer is less than about 10 nm, and the porous separation layer comprises titania, MgO, CaO, SrO, BaO, La.sub.2O.sub.3, CeO.sub.2, HfO.sub.2, Y.sub.2O.sub.3, VO.sub.z, NbO.sub.z, TaO.sub.z, ATiO.sub.3, AZrO.sub.3, AAl.sub.2O.sub.4, A.sup.1FeO.sub.3, A.sup.1MnO.sub.3, A.sup.1CoO.sub.3, A.sup.1NiO.sub.3, A.sup.2HfO.sub.3, A.sup.3 CeO.sub.3, Li.sub.2ZrO.sub.3, Li.sub.2SiO.sub.3, Li.sub.2TiO.sub.3, Li.sub.2HfO.sub.3, A.sup.4N.sup.1.sub.yO.sub.z, Y.sub.xN.sup.1.sub.yO.sub.z, La.sub.xN.sup.1.sub.yO.sub.z, HfN.sup.2.sub.yO.sub.z, or a combination thereof; wherein A is La, Mg, Ca, Sr or Ba; A.sup.1 is La, Ca, Sr or Ba; A.sup.2 is Ca, Sr or Ba; A.sup.3 is Sr or Ba; A.sup.4 is Mg, Ca, Sr, Ba, Ti or Zr; N.sup.1 is V, Nb, Ta, Cr, Mo, W, Mn, Si or Ge; N.sup.2 is V, Mo, W or Si; x is 1 or 2; y ranges from 1 to 3; and z ranges from 2 to 7.

  19. Ta thickness-dependent perpendicular magnetic anisotropy features in Ta/CoFeB/MgO/W free layer stacks

    Energy Technology Data Exchange (ETDEWEB)

    Yang, SeungMo; Lee, JaBin; An, GwangGuk [Novel Functional Materials and Devices Lab, The Research Institute for Natural Science, Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of); Kim, JaeHong [Division of Nano-Scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Chung, WooSeong [Nano Quantum Electronics Lab, Department of Electronics and Computer Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Hong, JinPyo, E-mail: jphong@hanyang.ac.kr [Novel Functional Materials and Devices Lab, The Research Institute for Natural Science, Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of); Division of Nano-Scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2015-07-31

    We describe Ta underlayer thickness influence on thermal stability of perpendicular magnetic anisotropy in Ta/CoFeB/MgO/W stacks. It is believed that thermal stability based on Ta underlay is associated with thermally-activated Ta atom diffusion during annealing. The difference in Ta thickness-dependent diffusion behaviors was confirmed with X-ray photoelectron spectroscopy analysis. Along with a feasible Ta thickness model, our observations suggest that an appropriate seed layer choice is needed for high temperature annealing stability, a critical issue in the memory industry. - Highlights: • We observed changes in the diffusion behavior with regard to Ta seed layer thickness. • It was observed that a thinner Ta seed layer induced more annealing-stable features. • However, ultra-thin (0.75 nm) Ta shows unstable characteristics about the annealing process. • It was possibly due to a rugged interface of the Ta layer by the island growth process.

  20. 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.

  1. 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

  2. Ab-initio study of the hyperfine parameters in P21/c, P42nmc and Fm3m zirconia phases doped with Tazr and the vacancy-Tazr complex

    International Nuclear Information System (INIS)

    Casali, R.A.; Caravaca, M.A.

    2007-01-01

    In this work we develop selfconsistent calculations by means of the all-electron method NFP-LMTO. The electronic structure, quadrupolar frequencies and asymmetry parameters of ZrO 2 polymorphs doped with Ta placed at substitutional site to Zr (Ta Zr ), with and without vacancies are studied in the monoclinic, tetragonal and cubic phases. The calculated hyperfine parameters in neutral Ta Zr in the monoclinic phase are in agreement with hypine parameters measured with PAC and assigned to substitutional site in a wide range of temperatures. However, in the case of Ta Zr in the tetragonal P42nmc phase, the electric field gradient (EFG) is in large disagreement with the experimental assignment. Therefore we explored the incorporation of a near neighbor oxygen vacancy in several charged states. We found that the TaV 0 and TaV +1 pairs in the tetragonal symmetry with axis length ratio c/a=1.02 gives electric field gradients V zz and η in agreement with low-temperature values of the experimentally assigned pure tetragonal, called t-form. Further, the pair Ta-V with a ratio c/a=1 gives EFG in close agreement with reported high-temperature values

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Interaction of zirconium and hafnium tetrachlorides with cesium, rubidium and potassium chlorides and Raman spectra of reaction products

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Vovkotrub, Eh.G.; Strekalovskij, V.N.

    2008-01-01

    Raman spectroscopy was used to reveal the formation of novel complexes involving [Zr 2 Cl 9 ] - and [Hf 2 Cl 9 ] - anions in molten mixtures of ZrCl 4 and HfCl 4 with CsCl, RbCl, and KCl. A prediction is made about the presence of the above-mentioned complex anions in poorly investigated melts of the corresponding binary systems at high concentrations of ZrCl 4 or HfCl 4 [ru

  8. 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.

  9. 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

  10. 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.

  11. Microcracking and mechanical properties of Hafnia-Zirconia toughened alumina composites

    International Nuclear Information System (INIS)

    Li, H.P.S.; Stevens, R.

    1995-01-01

    Despite the remarkably similar crystal structures and phase transformations of HfO 2 and ZrO 2 , the tetragonal to monoclinic transformation temperature for HfO 2 takes place six hundred degrees higher than that for ZrO 2 . This suggests the potential for HfO 2 as an engineering material for use at elevated temperatures (>700 C). Alloying HfO 2 with ZrO 2 has been suggested a feasible high-temperature toughening strategy for ZrO 2 -toughened ceramics. The role of ZrO 2 as a second phase toughening agent for ceramic composites has long been recognised and a considerable number of studies reported. In contrast, HfO 2 -toughened ceramics, have not been investigated in detail. This paper gives an account of composite ceramics consisting of an Al 2 O 3 matrix, mixed with unstabilised (Zr-Hf)O 2 inclusions containing volume fractions, of 0, 1, 5, 10, 15, and 25 vol. %, developed to investigate the effects of the second phase content on the microstructure and mechanical properties. A simple cubic packing model of microcracking, based on an ''end-point'' thermodynamic approach, is discussed with respect to microcrack extension for a critical volume fraction of second phase content. The results show an Al 2 O 3 matrix containing 5 vol. % of Hf 0.25 Zr 0.75 O 2 inclusions to give the optimum properties. Using the packing model, the critical volume fraction is predicted at 10 vol. %, which is in a good agreement with experimental results. (orig.)

  12. Precise simultaneous determination of zirconium and hafnium in silicate rocks, meteorites and lunar samples. [Neutron reactions

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, P A; Garg, A N; Ehmann, W D [Kentucky Univ., Lexington (USA). Dept. of Chemistry

    1977-01-01

    A precise, sensitive and rapid analytical technique has been developed for the simultaneous determination of Zr and Hf in natural silicate matrices. The technique is based on radiochemical neutron activation analysis and employs a rapid fusion dissolution of the sample and simultaneous precipitation of the Zr-Hf pair with p-hydroxybenzene arsenic acid in an acidic medium. The indicator radionuclides, /sup 95/Zr and /sup 181/Hf, are counted and the /sup 95/Zr activity is corrected for the contribution from U fission. The chemical yields of the radiochemical separation are based on Hf carrier. The yield is determined by reactivation of the processed samples and standards with a /sup 252/Cf isotopic neutron source and by counting the 18.6 sec half-life sup(179m)Hf. The RNAA procedure for Zr and Hf has been shown to be precise and accurate for natural silicate samples, based on replicate analyses of samples containing Zr in the range of 1 ..mu..g/g to over 600 ..mu..g/g. The procedure is relatively rapid with a total chemical processing time of approximately 3 hours. At least 4 samples are processed simultaneously. Ten additional elements (Fe, Cr, Co, Sc, Eu, La, Lu, Ce, Th and Tb) can be determined by direct Ge(Li) spectrometry (INAA) on the samples prior to dissolution for the RNAA determination of Zr and Hf. Corrections for the U fission contribution can be made on the basis of the known U content or from the INAA Th content, based on the relatively constant natural Th/U ratio.

  13. EUSO-TA prototype telescope

    Energy Technology Data Exchange (ETDEWEB)

    Bisconti, Francesca, E-mail: francesca.bisconti@kit.edu

    2016-07-11

    EUSO-TA is one of the prototypes developed for the JEM-EUSO project, a space-based large field-of-view telescope to observe the fluorescence light emitted by cosmic ray air showers in the atmosphere. EUSO-TA is a ground-based prototype located at the Telescope Array (TA) site in Utah, USA, where an Electron Light Source and a Central Laser Facility are installed. The purpose of the EUSO-TA project is to calibrate the prototype with the TA fluorescence detector in presence of well-known light sources and cosmic ray air showers. In 2015, the detector started the first measurements and tests using the mentioned light sources have been performed successfully. A first cosmic ray candidate has been observed, as well as stars of different magnitude and color index. Since Silicon Photo-Multipliers (SiPMs) are very promising for fluorescence telescopes of next generation, they are under consideration for the realization of a new prototype of EUSO Photo Detector Module (PDM). The response of this sensor type is under investigation through simulations and laboratory experimentation.

  14. EUSO-TA prototype telescope

    Science.gov (United States)

    Bisconti, Francesca; JEM-EUSO Collaboration

    2016-07-01

    EUSO-TA is one of the prototypes developed for the JEM-EUSO project, a space-based large field-of-view telescope to observe the fluorescence light emitted by cosmic ray air showers in the atmosphere. EUSO-TA is a ground-based prototype located at the Telescope Array (TA) site in Utah, USA, where an Electron Light Source and a Central Laser Facility are installed. The purpose of the EUSO-TA project is to calibrate the prototype with the TA fluorescence detector in presence of well-known light sources and cosmic ray air showers. In 2015, the detector started the first measurements and tests using the mentioned light sources have been performed successfully. A first cosmic ray candidate has been observed, as well as stars of different magnitude and color index. Since Silicon Photo-Multipliers (SiPMs) are very promising for fluorescence telescopes of next generation, they are under consideration for the realization of a new prototype of EUSO Photo Detector Module (PDM). The response of this sensor type is under investigation through simulations and laboratory experimentation.

  15. Electric-field gradients at 181Ta impurity sites in Ho2O3 and Eu2O3 bixbyites

    International Nuclear Information System (INIS)

    Errico, Leonardo A.; Renteria, Mario; Bibiloni, Anibal G.; Freitag, Kristian

    2007-01-01

    The time-differential γ-γ perturbed-angular-correlation (PAC) technique with ion-implanted 181 Hf tracers has been applied to study the hyperfine interactions of 181 Ta impurities in the cubic bixbyite structure of Ho 2 O 3 and Eu 2 O 3 . The PAC experiments were performed in air in the temperature range 300-1373 K (in the case of Ho 2 O 3 ) and 77-1273 K (in the case of Eu 2 O 3 ). For both oxides, two electric-quadrupole interactions were found and attributed to the electric-field gradients (EFGs) acting on 181 Ta probes substitutionally located at the two free-of-defects nonequivalent cation sites of the bixbyite structure. In the case of Ho 2 O 3 , two additional interactions were found in the temperature range 300-573 K. These results, as well as previous characterizations of the EFG at 181 Ta sites in bixbyites, were compared to those obtained in experiments using 111 Cd as probe, and to point-charge model calculations. Very recent ab initio predictions for the EFG tensor at impurities sites in binary oxides are also discussed. All these results enable us to discuss the validity of the widely used ionic model to describe the EFG in these highly ionic compounds

  16. New data on masking reagents in complexometry

    International Nuclear Information System (INIS)

    Yurist, I.M.; Talmud, M.M.; Zajtsev, P.M.

    1985-01-01

    Recent literature data on employing inorganic and organic oxygen-, nitrogen- and sulfur-containing substances as masking reagents (MR) in complexonometry of alkali earths, rare earths and transition elements are reviewed for the period of 1971-1983. Effectiveness of any type of MR is shown to be dependent on the electron configuration of a cation being masked. Sr, La, Th, V(6), Zr, Hf, V(5), Nb(5), Ta(5), Mo(6), W(6) a.o. are masked by oxygen-containing ligands. Zn, Cd, Fe(2, 3), Co(2, 3), Ni, etc. are masked by nitrogen- and sulfur-bearing ligands. Thiocompounds mask mainly In, Tl(3), Sn(2), Pb, Bi

  17. 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.

  18. Effect of transition metal impurities on the strength of grain boundaries in vanadium

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xuebang; Kong, Xiang-Shan; You, Yu-Wei; Liu, Wei; Liu, C. S., E-mail: csliu@issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China); Chen, Jun-Ling; Luo, G.-N. [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-09-07

    Effects of 3d (Ti-Ni), 4d (Zr-Pd), and 5d (Hf-Pt) transition metal impurities on strength of two representative vanadium grain boundaries (GBs), symmetric Σ3(111) and asymmetric Σ5(210), were studied by first-principles calculations within the framework of the Rice-Wang thermodynamic model and within the computational tensile test. The desirable elements to increase the GB cohesion were predicted based on their segregation and strengthening behaviors across the different GB sites. It reveals that the elements Ti, Zr, Hf, Nb, and Ta are good choices for the GB cohesion enhancers. In addition, the GB strengthening by solutes is sensitive to the GB structures. The elements Cr, Mn, Fe, Co, and Ni decrease the GB strength of the Σ3(111) GB but they can increase the cohesion of the Σ5(210) GB. Furthermore, the origin of Ti-induced change of the GB strength was uncovered by analyzing the atomic bonds and electronic structures as well as the tensile strength. This work provides a theoretical guidance to screen promising alloying elements in V-based materials with improved resistance to GB decohesion and also helps us to understand the formation mechanism of Ti-rich precipitates in the V-Cr-Ti alloys under neutron or ion irradiation environments.

  19. 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.

  20. Effect of ZrB{sub 2} particles on the microstructure and mechanical properties of hybrid (ZrB{sub 2} + Al{sub 3}Zr)/AA5052 insitu composites

    Energy Technology Data Exchange (ETDEWEB)

    Gautam, Gaurav, E-mail: gauravgautamm1988@gmail.com; Mohan, Anita, E-mail: amohan.app@iitbhu.ac.in

    2015-11-15

    Present study outlines the effect of ZrB{sub 2} particles variation on the morphology and mechanical properties of (ZrB{sub 2}+Al{sub 3}Zr)/AA5052Al alloy composites. Composites with varying amount of ZrB{sub 2} particles have been produced by direct melt reaction (DMR) technique. These composites have been characterized by X-ray diffractometer (XRD) and energy-dispersive spectroscopy (EDS) to confirm the presence of ZrB{sub 2} and Al{sub 3}Zr particles. Optical microscopy (OM) and scanning-electron microscopy (SEM) have been used to understand the morphology. To see the effect of ZrB{sub 2} variation on mechanical properties, hardness and tensile properties have been evaluated. The XRD and EDS results confirm the successful formation of ZrB{sub 2} particles in matrix of AA5052Al alloy. SEM and TEM studies exhibit that ZrB{sub 2} particles are mostly in hexagonal and some rectangular shape while Al{sub 3}Zr particles are in polyhedron and rectangular shapes. Most of ZrB{sub 2} particles are within a size range of 10–190 nm. Interface region is free of any impurity. OM studies show grain refinement of AA5052Al alloy matrix with formation of second phase ZrB{sub 2} particles. Tensile results indicate that the UTS and YS improve up to 3 vol.% of ZrB{sub 2} but beyond this composition a decreasing trend is observed. The strength coefficient increases with increase in ZrB{sub 2} particles up to 3 vol.% in the Al{sub 3}Zr/Al alloy composites, whereas strain hardening decreases. While beyond 3 vol.% ZrB{sub 2} particles in the Al{sub 3}Zr/Al alloy composite, opposite trend is observed in strength coefficient and strain hardening. Percentage elongation also improves with 1vol.% ZrB{sub 2}, but further addition of ZrB{sub 2} shows an adverse effect. However, a continuous increasing trend has been observed in bulk hardness. Fracture studies show facets of Al{sub 3}Zr particles and dimples of matrix, but with inclusion of ZrB{sub 2} dimple size decreases. Increase in Zr