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Sample records for zr hf ta

  1. 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

  2. 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)

  3. 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)

  4. 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

  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. 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.

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

    Science.gov (United States)

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

    2018-06-01

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

  8. 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.

  9. 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

  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)

    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.

  11. 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.

  12. 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)

  13. 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.

  14. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  16. 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. 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.

  18. 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.

  19. 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)

  20. 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)

  1. 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.

  2. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-07-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  5. PEMISAHAN ZrHf SECARA SINAMBUNG MENGGUNAKAN MIXER SETTLER

    Directory of Open Access Journals (Sweden)

    Dwi Biyantoro

    2017-01-01

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

  6. 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.

  7. 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

  8. 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.

  9. 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.)

  10. The anisotropy of Hf diffusion in α-Zr

    International Nuclear Information System (INIS)

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

    1995-07-01

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

  11. 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)

  12. 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)

  13. 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)

  14. 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

  15. 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)

  16. 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

  17. 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.

  18. 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)

  19. 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)

  20. 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

  1. 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.

  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. 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

  4. 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)

  5. 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)

  6. 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.

  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. 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

  9. 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}.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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)

  20. 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.)

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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...

  10. 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.

  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. 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.

  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. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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).

  1. 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)

  2. 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)

  3. 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

  4. 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.

  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. 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.)

  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. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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.)

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. 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 ...

  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. 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

  7. 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)

  8. 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.

  9. 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.)

  10. 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.)

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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)

  19. (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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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.

  6. 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)

  7. 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

  8. 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

  9. 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.

  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. 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.

  12. 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

  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. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. 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.)

  5. 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.

  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. 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

  8. 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)

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.)

  6. 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.

  7. 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....

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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.

  15. 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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.)

  2. 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".

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. 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.

  16. 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)

  17. 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)

  18. 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.

  19. 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)

  20. 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

  1. 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)

  2. 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.

  3. 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)

  4. 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.

  5. 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

  6. 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

  7. 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...

  8. 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.)

  9. 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.

  10. 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

  11. 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)

  12. 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

  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. 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.

  15. 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.

  16. 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.

  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. 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)

  19. 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)

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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)

  6. 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.

  7. 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

  8. 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.

  9. 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)

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. Corrosion Behaviour of New Zr Alloys

    DEFF Research Database (Denmark)

    Tolksdorf, E.

    1974-01-01

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

  18. 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.

  19. 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 .

  20. 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.)

  1. Microstructure and Properties of a Refractory NbCrMo0.5Ta0.5TiZr Alloy (Postprint)

    Science.gov (United States)

    2014-04-01

    vacuum arc melting. To close shrinkage porosity, it was hot isostatically pressed (HIPd) at T = 1723K and P = 207MPa for 3 h. In both as-solidified and...Acknowledgements Discussions with Drs. D.M. Dimiduk, F. Meisenkothen, D.B. Mira- cle, T.A. Parthasarathy, A.A. Salem , G.B. Viswanathan, and G.B...en.wikipedia.org/wiki/Hardnesses of the elements (data page). 15] Chr. Herzig, U. Kohler, S.V. Divinski, J. Appl . Phys. 85 (1999) 8119–8130. 16] R.E

  2. Impact of electrically formed interfacial layer and improved memory characteristics of IrOx/high-κx/W structures containing AlOx, GdOx, HfOx, and TaOx switching materials.

    Science.gov (United States)

    Prakash, Amit; Maikap, Siddheswar; Banerjee, Writam; Jana, Debanjan; Lai, Chao-Sung

    2013-09-06

    Improved switching characteristics were obtained from high-κ oxides AlOx, GdOx, HfOx, and TaOx in IrOx/high-κx/W structures because of a layer that formed at the IrOx/high-κx interface under external positive bias. The surface roughness and morphology of the bottom electrode in these devices were observed by atomic force microscopy. Device size was investigated using high-resolution transmission electron microscopy. More than 100 repeatable consecutive switching cycles were observed for positive-formatted memory devices compared with that of the negative-formatted devices (only five unstable cycles) because it contained an electrically formed interfacial layer that controlled 'SET/RESET' current overshoot. This phenomenon was independent of the switching material in the device. The electrically formed oxygen-rich interfacial layer at the IrOx/high-κx interface improved switching in both via-hole and cross-point structures. The switching mechanism was attributed to filamentary conduction and oxygen ion migration. Using the positive-formatted design approach, cross-point memory in an IrOx/AlOx/W structure was fabricated. This cross-point memory exhibited forming-free, uniform switching for >1,000 consecutive dc cycles with a small voltage/current operation of ±2 V/200 μA and high yield of >95% switchable with a large resistance ratio of >100. These properties make this cross-point memory particularly promising for high-density applications. Furthermore, this memory device also showed multilevel capability with a switching current as low as 10 μA and a RESET current of 137 μA, good pulse read endurance of each level (>105 cycles), and data retention of >104 s at a low current compliance of 50 μA at 85°C. Our improvement of the switching characteristics of this resistive memory device will aid in the design of memory stacks for practical applications.

  3. 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.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-07

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

  10. 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.

  11. 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

  12. 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

  13. Structure of Zr-Hf alloys

    International Nuclear Information System (INIS)

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

    1991-01-01

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

  14. 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

  15. Electrode contacts on ferroelectric Pb(Zr x Ti1−x )O3 and SrBi2Ta2O9 thin films and their influence on fatigue properties

    OpenAIRE

    Lee, J. J.; Thio, C. L.; Desu, Seshu B.

    1995-01-01

    The degradation (fatigue) of dielectric properties of ferroelectric Pb(ZrxTi1-x)O-3 (PZT) and SrBi2Ta2O9 thin films during cycling was investigated. PZT and SrBi2Ta2O9 thin films were fabricated by metalorganic decomposition and pulsed laser deposition, respectively. Samples with electrodes of platinum (Pt) and ruthenium oxide (RuO2) were studied. The interfacial capacitance (if any) at the Pt/PZT, RuO2/PZT, and Pt/SrBi2Ta2O9 interfaces was determined from the thickness dependence of low-fiel...

  16. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  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. 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

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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)

  6. 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...

  7. Landau-Ginzburg description of anomalous properties of novel room temperature multiferroics Pb(Fe{sub 1/2}Ta{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1-x}O{sub 3} and Pb(Fe{sub 1/2}Nb{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Glinchuk, Maya D.; Eliseev, Eugene A. [Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Krjijanovskogo 3, 03142 Kyiv (Ukraine); Morozovska, Anna N., E-mail: anna.n.morozovska@gmail.com [Institute of Physics, National Academy of Sciences of Ukraine, 46, pr. Nauky, 03028 Kyiv (Ukraine)

    2016-01-14

    Landau-Ginzburg thermodynamic formalism is used for the description of the anomalous ferroelectric, ferromagnetic, and magnetoelectric properties of Pb(Fe{sub 1/2}Ta{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3} and Pb(Fe{sub 1/2}Nb{sub 1/2}){sub x}(Zr{sub 0.53}Ti{sub 0.47}){sub 1−x}O{sub 3} micro-ceramics. We calculated temperature, composition, and external field dependences of ferroelectric, ferromagnetic, and antiferromagnetic phases transition temperatures, remanent polarization, magnetization, hysteresis loops, dielectric permittivity, and magnetoelectric coupling. Special attention was paid to the comparison of developed theory with experiments. It appeared possible to describe adequately main experimental results including a reasonable agreement between the shape of calculated and measured hysteresis loops and remnant polarization. Since Landau-Ginzburg thermodynamic formalism appertains to single domain properties of a ferroic, we did not aim to describe quantitatively the coercive field under the presence of realistic poly-domain switching. Information about linear and nonlinear magnetoelectric coupling coefficients was extracted from the experimental data. From the fitting of experimental data with theoretical formula, we obtained the composition dependence of Curie-Weiss constant that is known to be inversely proportional to harmonic (linear) dielectric stiffness, as well as the strong nonlinear dependence of anharmonic parameters in free energy. Keeping in mind the essential influence of these parameters on multiferroic properties, the obtained results open the way to govern practically all the material properties with the help of suitable composition choice. A forecast of the strong enough influence of antiferrodistortive order parameter on the transition temperatures and so on the phase diagrams and properties of multiferroics are made on the basis of the developed theory.

  8. 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.

  9. 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.

  10. 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...

  11. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-05-15

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

  13. 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...

  14. 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)

  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. 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.

  17. 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.

  18. 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.

  19. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Olier, P.

    1996-12-31

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

  1. 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.

  2. 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)

  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. 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

  5. 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

  6. 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

  7. 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

  8. Spectroscopy of 169Ta

    International Nuclear Information System (INIS)

    Kshetri, Ritesh; Ray, I.; Ganguly, S.; Pradhan, M.K.; Raut, R.; Goswami, A.; Banerjee, P.; Mukherjee, A.; Datta Pramanik, U.; Bhattacharya, S.; Dasmahapatra, B.; Saha Sarkar, M.; Dey, G.; Ray Basu, M.; Krishichayan; Chakraborty, A.; Ghugre, S.S.; Ray, M.; Sarkar, S.

    2006-01-01

    The lifetimes of the isomeric levels of 169,171 Ta have been re-measured using the centroid shift method of electronic timing technique. Preliminary results for lifetimes are in good agreement with the adopted values. Investigations are being carried out to identify other isomeric levels

  9. 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.

  10. 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.

  11. 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)

  12. HF-laser program

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

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

  13. Pulsed inductive HF laser

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-31

    We report the results of experimentally investigated dependences of temporal, spectral and spatial characteristics of an inductive HF-laser generation on the pump conditions. Gas mixtures H{sub 2} – F{sub 2}(NF{sub 3} or SF6{sub 6}) and He(Ne) – H{sub 2} – F{sub 2}(NF{sub 3} or SF{sub 6}) were used as active media. The FWHM pulse duration reached 0.42 μs. This value corresponded to a pulsed power of 45 kW. For the first time, the emission spectrum of an inductive HF laser was investigated, which consisted of seven groups of bands with centres around the wavelengths of 2732, 2736, 2739, 2835, 2837, 2893 and 2913 nm. The cross section profile of the laser beam was a ring with a diameter of about 20 mm and width of about 5 mm. Parameters of laser operation in the repetitively pulsed regime were sufficiently stable. The amplitude instability of light pulses was no greater than 5% – 6%. (lasers)

  14. 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.)

  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. HF-DLLME

    OpenAIRE

    Simão, Vanessa

    2015-01-01

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

  18. High energy HF pulsed lasers

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. 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.

  4. 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.)

  5. 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

  6. Hf på VUC

    DEFF Research Database (Denmark)

    Pless, Mette; Hansen, Niels-Henrik Møller

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

  7. 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.

  8. 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

  9. 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

  10. 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.)

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

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

    Science.gov (United States)

    2007-06-01

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

  17. 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 ...

  18. 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.

  19. 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

  20. HF Parameters of Induction Motor

    Directory of Open Access Journals (Sweden)

    M. N. Benallal

    2017-09-01

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

  1. Interaction Between Hf Waves and Plasma in Delta-2; Interaction dans 'Delta-2' d'une Onde Progressive Electromagnetique de Haute Frequence et d'un Plasma; Vzaimodejstvie vysokochastotnoj ehlektromagnitnoj begushchej volny s plazmoj na ustanovke ''Del'ta-2'; Interaccion de una Onda Progresiva Electromagnetica de Alta Frecuencia con el Plasma en la Instalacion 'Delta-2'

    Energy Technology Data Exchange (ETDEWEB)

    Breus, S. N.; Kurdjumov, V. N.; Levin, M. L.; Osovec, S. M.; Popova, N. Ja.; Popov, I. A.; Hodataev, K. V.; Shimchuk, V. P. [Radiotehnicheskij Institut AN SSSR, Moskva, SSSR (Russian Federation)

    1966-04-15

    The paper describes the results of research on the interaction of a dense plasma with the high-frequency field of a magnetic wave travelling along a toroidal discharge chamber (large diameter - 700 mm, small diameter - 85 mm). The travelling wave is excited at a frequency 2.4 Mc/s by a three-phase automatic generator with a power about 50 MW and a pulse length about 250 to 350 {mu}s. The range of initial pressures was 0.1 to 0.001 Tore and the amplitude of the hf magnetic field on the surface of the plasma attained 500 to 600 Oe. In these circumstances, the main factors determining the interaction are connected with the non-linear effects and, above all, with the appearance of a steady longitudinal component of current that reached values of a few thousand amperes. In the centre of the chamber, in the small-field region, the conductivity of the plasma was of the order of 3 to 4 x 10{sup 14} esu, which, for close to 100% ionization, corresponds to an electron temperature of 8 to 12 eV. In the strong-field (skin-layer) region, conductivity falls off by more than an order of magnitude, which leads to a sharp increase in the required HF power. In addition to a longitudinal current, the plasma was found to contain a longitudinal quasi-stationary field formed by transverse currents in the plasma. This field has a composite structure and, as shown by theoretical approximations, is possibly due to a toroidal effect. The existence of quasi-stationary magnetic fields apparently has a connection with the plasma oscillations which have been observed at 200 to 500 kc/s, corresponding approximately to the natural Alfven oscillations in such fields. The quasi-stationary currents and fields hamper the detachment of the plasma from the walls of the discharge chamber and subsequent compression. By themselves, however, the longitudinal steady waves cannot lead to the development of kinetic instabilities, since the electron velocities corresponding to such instabilities are smaller

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. The TA and TALE Experiments

    International Nuclear Information System (INIS)

    Thomson, Gordon

    2006-01-01

    The TA/TALE experiment is under construction, and is being deployed in Millard County, Utah. It will consist of a suite of detectors covering four orders of magnitude in energy, from 10 16.5 to 10 20.5 eV, and will observe cosmic ray showers with fluorescence detectors and arrays of scintillation counters. Events will be seen by multiple detectors and cross calibration of detectors' energy scales will be possible. TA/TALE will observe all three features of the spectrum of ultrahigh energy cosmic rays, observe the galactic/extragalactic transition, study the cosmology of cosmic ray sources, and perform anisotropy studies with unprecedented accuracy

  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. 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

  9. TA-55 change control manual

    International Nuclear Information System (INIS)

    Blum, T.W.; Selvage, R.D.; Courtney, K.H.

    1997-11-01

    This manual is the guide for initiating change at the Plutonium Facility, which handles the processing of plutonium as well as research on plutonium metallurgy. It describes the change and work control processes employed at TA-55 to ensure that all proposed changes are properly identified, reviewed, approved, implemented, tested, and documented so that operations are maintained within the approved safety envelope. All Laboratory groups, their contractors, and subcontractors doing work at TA-55 follow requirements set forth herein. This manual applies to all new and modified processes and experiments inside the TA-55 Plutonium Facility; general plant project (GPP) and line item funded construction projects at TA-55; temporary and permanent changes that directly or indirectly affect structures, systems, or components (SSCs) as described in the safety analysis, including Facility Control System (FCS) software; and major modifications to procedures. This manual does not apply to maintenance performed on process equipment or facility SSCs or the replacement of SSCs or equipment with documented approved equivalents

  10. Institutional Interpretation of Participatory TA

    DEFF Research Database (Denmark)

    Nielsen, Rasmus Øjvind

    2014-01-01

    . The aim of the article is thus to relate the challenges of establishing and continuing pTA as a societal practice to the question of societal institutions and their logics. Towards this aim, the paper draws on a number of different theoretical directions within New Institutionalism and attempts to build...

  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. 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.

  13. 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.

  14. 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.

  15. Special Topics in HF Propagation

    Science.gov (United States)

    1979-11-01

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

  16. Rotational structures in 174Ta

    International Nuclear Information System (INIS)

    Hojman, Daniel; Kreiner, A.J.; Davidson, Miguel

    1989-01-01

    The nucleus 174 Ta has been studied for the first time through the fusion-evaporation reaction 169 Tm ( 9 Be,4n) using a 4 mg/cm 2 self-supporting Tm foil in the 40 to 65 MeV bombarding energy range (the 4n channel was found to peak at 50 MeV). The experiments comprised γ and X-ray singles in beam and activity spectra, γ-γ-t coincidences (one of the counters was Compton suppressed) and γ-ray angular distributions. The results obtained allowed the construction of a high-spin level scheme. This scheme, which resembles that of 172 Ta, comprises several rotational bands which correspond to different couplings of the valence nucleons. One of these structures, the doubly decoupled band (DDB), is particularly interesting because it is the first observed case of a DDB based on an I π =3 + state. (Author) [es

  17. 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 .

  18. 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

  19. Amorphous Ti-Zr

    International Nuclear Information System (INIS)

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

    1991-01-01

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

  20. 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

  1. 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

  2. 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

  3. 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)

  4. Development of HF-systems for electron storage systems

    International Nuclear Information System (INIS)

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

    1999-01-01

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

  5. 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...

  6. Mechanical alloying of Hf and Fe powders

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  7. 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.

  8. 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.)

  9. Copper diffusion in TaN-based thin layers

    Energy Technology Data Exchange (ETDEWEB)

    Nazon, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fraisse, B. [Laboratoire Structure, Proprietes et Modelisation des Solides (UMR 8580), Ecole Centrale de Paris, Grande Voie des Vignes, 92295 Chatenay-Malabry Cedex (France); Sarradin, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fries, S.G. [SGF Scientific Consultancy, Arndt str.9, D-52064 Aachen (Germany); Tedenac, J.C. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Frety, N. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France)], E-mail: Nicole.Frety@univ-montp2.fr

    2008-07-15

    The diffusion of Cu through TaN-based thin layers into a Si substrate has been studied. The barrier efficiency of TaN/Ta/TaN multilayers of 150 nm in thickness has been investigated and is compared with that of TaN single layers. Thermal stabilities of these TaN-based thin layers against Cu diffusion were determined from in situ X-ray diffraction experiments, conducted in the temperature range of 773-973 K. The TaN/Ta/TaN barrier appeared to be more efficient in preventing Cu diffusion than the TaN single layer.

  10. Positron annihilation studies in Hf doped YBCO

    International Nuclear Information System (INIS)

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

    1992-01-01

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

  11. 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

  12. Aspects of HF radio propagation

    Directory of Open Access Journals (Sweden)

    Stephane Saillant

    2009-06-01

    Full Text Available

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

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

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

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

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

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

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

    of HF radiolocation systems.

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

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

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

    northerly ionosphere

  13. 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

  14. TA-55 and Sigma Overview

    Energy Technology Data Exchange (ETDEWEB)

    Spearing, Dane Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Safeguards Science and Technology Group (NEN-1)

    2016-11-29

    These are slides from a facility overview presentation for visiting agencies to Los Alamos National Laboratory (LANL). The TA-55 Plutonium Facility (PF-4) is discussed in detail. PF-4 is a unique resource for US plutonium programs. The basic design is flexible and has adapted to changing national needs. It is a robust facility with strong safety and security implementation. It supports a variety of national programs. It will continue for many years into the future. Sigma is then discussed in detail, which handles everything from hydrogen to uranium. It has been in long term service to the Nation (nearly 60 years). It has a flexible authorization basis to handle almost the entire periodic table. It has a wide breadth of prototyping and characterization capabilities. It has integrated program and line management.

  15. Wobbling mode in 167Ta

    International Nuclear Information System (INIS)

    Hartley, D. J.; Ludington, A.; Pifer, R.; Seyfried, E. P.; Vanhoy, J. R.; Janssens, R. V. F.; Carpenter, M. P.; Lauritsen, T.; McCutchan, E. A.; Zhu, S.; Riedinger, L. L.; Darby, I. G.; Riley, M. A.; Aguilar, A.; Wang, X.; Chiara, C. J.; Chowdhury, P.; Lakshmi, S.; Tandel, S. K.; Tandel, U.

    2009-01-01

    The collective wobbling mode, the strongest signature for the rotation of a triaxial nucleus, has previously been seen only in a few Lu isotopes in spite of extensive searches in nearby isotopes. A sequence of transitions in the N=94 167 Ta nucleus exhibiting features similar to those attributed to the wobbling bands in the Lu nuclei has now been found. This band feeds into the πi 13/2 band at a relative energy similar to that seen in the established wobbling bands and its dynamic moment of inertia and alignment properties are nearly identical to the i 13/2 structure over a significant frequency range. Given these characteristics, it is likely that the wobbling mode has been observed for the first time in a nucleus other than Lu, making this collective motion a more general phenomenon.

  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. 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.

  18. 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)

  19. Heavy ion studies with CMS HF calorimeter

    International Nuclear Information System (INIS)

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

    2001-01-01

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

  20. 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.)

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  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. 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.

  7. 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.

  8. Safety assessment for TA-48 radiochemical operations

    International Nuclear Information System (INIS)

    1994-08-01

    The purpose of this report is to document an assessment performed to evaluate the safety of the radiochemical operations conducted at the Los Alamos National Laboratory operations area designated as TA-48. This Safety Assessment for the TA-48 radiochemical operations was prepared to fulfill the requirements of US Department of Energy (DOE) Order 5481.1B, ''Safety Analysis and Review System.'' The area designated as TA-48 is operated by the Chemical Science and Technology (CST) Division and is involved with radiochemical operations associated with nuclear weapons testing, evaluation of samples collected from a variety of environmental sources, and nuclear medicine activities. This report documents a systematic evaluation of the hazards associated with the radiochemical operations that are conducted at TA-48. The accident analyses are limited to evaluation of the expected consequences associated with a few bounding accident scenarios that are selected as part of the hazard analysis. Section 2 of this report presents an executive summary and conclusions, Section 3 presents pertinent information concerning the TA-48 site and surrounding area, Section 4 presents a description of the TA-48 radiochemical operations, and Section 5 presents a description of the individual facilities. Section 6 of the report presents an evaluation of the hazards that are associated with the TA-48 operations and Section 7 presents a detailed analysis of selected accident scenarios

  9. Field investigations of soils at TA-19, TA-26, TA-73 and TA-0, SWMU aggregate 0-D and 016

    International Nuclear Information System (INIS)

    McFadden, L.D.

    1995-01-01

    Field based investigations of the general soil-geomorphic characteristics were carried out at TA-19, -26, -73, -0, Aggregate 0-D and -016 in order to provide information for utilization in ongoing and anticipated LANL ERP (Environmental Restoration Project) activities at these sites. These investigations show that soils exhibiting diverse morphologic character, varying ages, and relations to landforms characterize these sites. A review of recent and ongoing soils studies also shows that soil textural, chemical, and mineralogical characteristics may profoundly influence the migration and/or retardation of a variety of potential contaminants initially placed in direct contact with soils, or that encounter soils during subsurface percolation or discharge. Soil-geomorphic relations also provide important insights into recent site erosion, deposition or other surficial processes that must, be considered as part of environmental assessment of a given site and remediation; and, the planned geomorphic mapping activities at each site, as well as other associated activities (e.g, geophysical survey, site sampling) are accordingly appropriate and necessary with respect to identification of significant soil relations at each site. Specific and general recommendations in consideration of important findings regarding the possible impacts of soil development of the nature of contaminant behavior at various sites are provided to help guide sampling and analysis activities during ERP investigations outlined in the RFI Work Plan for Operational Unit-1071

  10. 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

  11. 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.

  12. 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.

  13. 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...

  14. 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

  15. Anodic oxidation of Ta/Fe alloys

    International Nuclear Information System (INIS)

    Mato, S.; Alcala, G.; Thompson, G.E.; Skeldon, P.; Shimizu, K.; Habazaki, H.; Quance, T.; Graham, M.J.; Masheder, D.

    2003-01-01

    The behaviour of iron during anodizing of sputter-deposited Ta/Fe alloys in ammonium pentaborate electrolyte has been examined by transmission electron microscopy, Rutherford backscattering spectroscopy, glow discharge optical emission spectroscopy and X-ray photoelectron spectroscopy. Anodic films on Ta/1.5 at.% Fe, Ta/3 at.% Fe and Ta/7 at.% Fe alloys are amorphous and featureless and develop at high current efficiency with respective formation ratios of 1.67, 1.60 and 1.55 nm V -1 . Anodic oxidation of the alloys proceeds without significant enrichment of iron in the alloy in the vicinity of the alloy/film interface and without oxygen generation during film growth, unlike the behaviour of Al/Fe alloys containing similar concentrations of iron. The higher migration rate of iron species relative to that of tantalum ions leads to the formation of an outer iron-rich layer at the film surface

  16. Resonances in odd-odd 182Ta

    Science.gov (United States)

    Brits, C. P.; Wiedeking, M.; Bello Garrote, F. L.; Bleuel, D. L.; Giacoppo, F.; Görgen, A.; Guttormsen, M.; Hadynska-Klek, K.; Hagen, T. W.; Ingeberg, V. W.; Kheswa, B. V.; Klintefjord, M.; Larsen, A. C.; Malatji, K. L.; Nyhus, H. T.; Papka, P.; Renstrøm, T.; Rose, S.; Sahin, E.; Siem, S.; Tveten, G. M.; Zeiser, F.

    2017-09-01

    Enhanced γ-decay on the tail of the giant electric dipole resonance, such as the scissors or pygmy resonances, can have significant impact on (n,γ) reaction rates. These rates are important input for modeling processes that take place in astrophysical environments and nuclear reactors. Recent results from the University of Oslo indicate the existence of a significant enhancement in the photon strength function for nuclei in the actinide region due to the scissors resonance. Further, the M1 strength distribution of the scissors resonances in rare earth nuclei has been studied extensively over the years. To investigate the evolution and persistence of the scissor resonance in other mass regions, an experiment was performed utilizing the NaI(Tl) γ-ray detector array (CACTUS) and silicon particle telescopes (SiRi) at the University of Oslo Cyclotron laboratory. Particle-γ coincidences from the 181Ta(d,p)182Ta and 181Ta(d,d')181Ta reactions were used to measure the nuclear level density and photon strength function of the well-deformed 181Ta and 182Ta systems, to investigate the existence of resonances below the neutron separation energy. Note to the reader: the title of this article has been corrected on September 19, 2017.

  17. Characterization of Rh films on Ta(110)

    International Nuclear Information System (INIS)

    Jiang, L.Q.; Ruckman, M.W.; Strongin, M.

    1989-01-01

    The surface and electronic structure of Rh films on Ta(110) up to several monolayers thick on Ta(110) are characterized by photoemission, Auger emission, low energy electron diffraction and low energy ion scattering. From the variation of the Rh Auger peak-to-peak intensity as a function of evaporation time, Rh/Ta(110) appears to grow in the Stranski-Krastanov mode at room temperature. However, the LEIS data show that the Rh adatoms begin to cluster on Ta(110) before growth of the monolayer is completed. Diffuse LEED scattering suggests that the Rh films are disordered. Photoemission shows that Rh chemisorption on Ta(110) generates two peaks located at 1.2 and 2. 5 eV binding energy during the initial phase of thin film growth (0 3.7 ML). Photoemission data for CO covered surfaces show that CO dissociates on the Rh/Ta(110) surface for Rh coverages less than 2.5 ML and also show that the Rh clusters develop at least one site capable of molecular CO adsorption above 0.3 ML Rh coverage. 38 refs., 5 figs

  18. Resonances in odd-odd 182Ta

    Directory of Open Access Journals (Sweden)

    Brits C.P.

    2017-01-01

    Full Text Available Enhanced γ-decay on the tail of the giant electric dipole resonance, such as the scissors or pygmy resonances, can have significant impact on (n,γ reaction rates. These rates are important input for modeling processes that take place in astrophysical environments and nuclear reactors. Recent results from the University of Oslo indicate the existence of a significant enhancement in the photon strength function for nuclei in the actinide region due to the scissors resonance. Further, the M1 strength distribution of the scissors resonances in rare earth nuclei has been studied extensively over the years. To investigate the evolution and persistence of the scissor resonance in other mass regions, an experiment was performed utilizing the NaI(Tl γ-ray detector array (CACTUS and silicon particle telescopes (SiRi at the University of Oslo Cyclotron laboratory. Particle-γ coincidences from the 181Ta(d,p182Ta and 181Ta(d,d'181Ta reactions were used to measure the nuclear level density and photon strength function of the well-deformed 181Ta and 182Ta systems, to investigate the existence of resonances below the neutron separation energy.

  19. Sorption and desorption of cesium and strontium on TA-2 and TA-41 soils and sediments

    International Nuclear Information System (INIS)

    Kung, K. Stephen; Li, Benjamin W.; Longmire, P.A.; Fowler, M.M.

    1996-04-01

    Current environmental monitoring has detected radioactive contaminants in alluvial groundwater, soils, and sediments in the TA-2 and TA-41 areas along the north central edge of Los Alamos National Laboratory. Because of this contamination, this study was initiated. The objective of this study is to quantify the sorptivity of cesium and strontium onto TA-2 and TA-41 site specific soil samples under a controlled environment in the laboratory. The purposes of this work are to determine cesium and strontium sorption coefficient for these sit specific soils and to evaluate the potential transport of cesium and strontium. Based on this information, a risk assessment and remediation strategy can be developed

  20. 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.

  1. 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.

  2. 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.

  3. Tribological properties of self-lubricating Ta-Cu films

    Science.gov (United States)

    Qin, Wen; Fu, Licai; Zhu, Jiajun; Yang, Wulin; Li, Deyi; Zhou, Lingping

    2018-03-01

    In this paper, Ta and TaCu films were deposited by using magnetron sputtering, and the tribological properties of the films against Si3N4 balls were investigated under the loads of 2 N and 5 N. The average grain sizes of both films are below 25 nm. Ta and TaCu films have approximate hardness. While the wear rate of TaCu film is much smaller than that of Ta film. Post-wear testing XRD, Raman and XPS revealed the formation of tantalum oxide on the worn surface of both Ta and TaCu films. Tantalum oxidation is effectively lubricating to reduce friction coefficient. So the friction coefficient of both Ta and TaCu film is about 0.45 under different applied loads. Meanwhile, the addition of Cu could increase the toughness of the film, and avoid the generation of wear debris, resulting in a significant increase in wear resistance.

  4. 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

  5. Searching triaxial superdeformation in 175Hf

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  6. Statistical gamma transitions in {sup 174}Hf

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-08-01

    The statistical spectrum extracted from the {sup 172}Yb({alpha},2n){sup 174}Hf reaction was fit with Monte Carlo simulations using a modified GDR E1 strength function and several formulations of the level density. (author). 15 refs., 1 tab., 3 figs.

  7. 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

  8. fs - kes ta on ja kust ta tuleb : [luuletused] / [Mesikepp, Indrek] fs

    Index Scriptorium Estoniae

    fs, pseud., 1971-

    2004-01-01

    Sisu: fs - kes ta on ja kust ta tuleb ; "töötasin arhiivis..." ; mustad puud mustas vees ; "on päev. on kylm. on öö..." ; "tead ju kyll..." ; "päiksest paistes päevad..." ; "mida sa teed kui on öö..."

  9. 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

  10. 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-

  11. 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.

  12. EUSO-TA data and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bisconti, Francesca [Institut fuer Kernphysik (IKP), Karlsruher Institut fuer Technologie (KIT) (Germany); Collaboration: JEM-EUSO-Collaboration

    2016-07-01

    EUSO-TA is one of the fluorescence cosmic ray detector prototypes developed by the JEM-EUSO Collaboration. The prototype has two 1 m diameter Fresnel lenses and one photo detector module (PDM) as focal surface. The PDM consists of 36 multi-anode photomultiplier tubes from Hamamatsu. The prototype has been designed to get information about the calibration of the Fresnel lense system and the PDM, basic parts of the main space-based fluorescence detector under development. EUSO-TA is located at the Black Rock Mesa site of the Telescope Array project (Utah-USA) and works in parallel with the TA fluorescence detectors since February 2015. During its campaigns, EUSO-TA detects cosmic ray events, as well as the pulsed laser from the Central Laser Facility, necessary for the detector calibration. Also planes and stars signatures are well visible in the data, although out of the scientific purpose. The analysis of EUSO-TA data and the comparison of data with simulations will be shown.

  13. Characterization of Rh films on Ta(110)

    International Nuclear Information System (INIS)

    Jiang, L.Q.; Ruckman, M.W.; Strongin, M.

    1990-01-01

    The surface and electronic structure of Rh films on Ta(110) up to several monolayers thick on Ta(110) are characterized by photoemission, Auger emission, low-energy electron diffraction (LEED) and low-energy ion scattering (LEIS). From the variation of the Rh Auger peak-to-peak intensity as a function of evaporation time, Rh appears to grow in the Stranski--Krastanov mode at room temperature. However, the LEIS data show that the Rh adatoms begin to cluster on Ta(110) before growth of the monolayer is completed. Diffuse LEED scattering suggests that the Rh films are disordered. Photoemission shows that Rh chemisorption on Ta(110) generates two peaks located at -1.5 and -2.5 eV binding energy during the initial phase of thin-film growth (0 3.7 ML). CO dissociates on the Rh/Ta(110) surface for Rh coverages<2.5 ML and the surface develops a site capable of molecular CO adsorption above 0.3-ML Rh coverage

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

    Science.gov (United States)

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

  15. 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.

  16. 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)

  17. 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.

  18. 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

  19. Tritium diffusion in V, Nb and Ta

    International Nuclear Information System (INIS)

    Qi, Z.; Voelkl, J.; Laesser, R.; Wenzl, H.

    1983-01-01

    Gorsky-effect measurements of the diffusion coefficient of tritium (T) in V, Nb and Ta are reported. The measurements were performed at small T concentrations (less than about 1.4 at%), and in the temperature range from -140 0 C to 100 0 C. Comparison with results obtained for H and D shows an increase of the activation energy with increasing isotopic mass. For Nb and Ta, the pre-exponential factors are identical for all the isotopes, whereas for V this factor is appreciably larger for T than for H and D. The reduction of the relaxation strength in the presence of precipitation allows a rough determination of the solubility limit, which is found to be isotope independent for Nb and Ta. In V, the solubility limit for T is shifted slightly to lower temperatures. The H, D or T induced lattice expansion calculated from the relaxation strength shows no dependence on isotopic mass. (author)

  20. 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)

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

    Science.gov (United States)

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

    2018-06-01

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

  2. Neutron separation energies of Zr isotopes

    International Nuclear Information System (INIS)

    Gomes, L.C.; Dietzsch, O.

    1976-01-01

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

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

    KAUST Repository

    García-Cerda, L. A.

    2010-03-01

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

  4. Uzurpacija zemljišta : Land usurpation

    OpenAIRE

    Jusuf Topoljak; Admir Mulahusić

    2011-01-01

    Rad na temu „Uzurpacija zemljišta“ izlaže problematiku uzurpacije zemljišta u Bosni i Hercegovini. Velika je uloga geodezije u rješavanju ovakvog, za društvo kompleksnog problema. U radu su date naznake definisanja i rješavanja problema uzurpiranog zemljišta. : Work on the topic of "land usurpation," exposes the issue of land usurpation in Bosnia and Herzegovina. Geodesy has a very important role in solving such a complex problem for the whole society. In this paper are given hints of defin...

  5. Uzurpacija zemljišta : Land usurpation

    Directory of Open Access Journals (Sweden)

    Jusuf Topoljak

    2011-12-01

    Full Text Available Rad na temu „Uzurpacija zemljišta“ izlaže problematiku uzurpacije zemljišta u Bosni i Hercegovini. Velika je uloga geodezije u rješavanju ovakvog, za društvo kompleksnog problema. U radu su date naznake definisanja i rješavanja problema uzurpiranog zemljišta. : Work on the topic of "land usurpation," exposes the issue of land usurpation in Bosnia and Herzegovina. Geodesy has a very important role in solving such a complex problem for the whole society. In this paper are given hints of defining and solving the problem of land usurpation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-23

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

  7. 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

  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. 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.

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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.

  15. Project Ta-kos Outreach. Final Report.

    Science.gov (United States)

    Askew, Linda; And Others

    The Project Ta-kos Outreach program is an inservice training model designed to increase the probability that children (ages birth to 8) at risk for or with special needs and their families can access and receive appropriate services in order to remain an integral part of the community in which they reside. The program reflects an ecological…

  16. Miks ta nii teeb? / Kristiina Voolaid

    Index Scriptorium Estoniae

    Voolaid, Kristiina

    1999-01-01

    Kuidas mõtleb ruumikujundaja, kui ta valib vorme, värve, materjale ja esemeid? Sisearhitekt Kristiina Voolaid seletab oma mõtteid Kawe Plaza hoones asuvate Hüvitusfondi ja Werol Tehased kontorite ning noorele perekonnale sisustatud vanalinnakorteri näitel

  17. 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.

  18. 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.

  19. 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.

  20. Structural study of Zr-based metallic glasses

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  1. 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)

  2. 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.

  3. 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.

  4. Structure and physical properties of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3

    International Nuclear Information System (INIS)

    Yuan, Fang; Forbes, Scott; Ramachandran, Krishna Kumar; Mozharivskyj, Yurij

    2015-01-01

    The Cr_5B_3-type Ta_5Si_3 phase was prepared by arc-melting, while the Cr_5B_3-type Ta_5Ge_3 one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta_5Si_3 and Ta_5Ge_3 are Pauli paramagnets, with Ta_5Ge_3 showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta_5Si_3 and Ta_5Ge_3 display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases. • Crystal and electronic structure analysis for Ta_5Si_3 and Ta_5Ge_3 phase by X-ray diffraction and TB-LMTO-ASA calculations.

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

    Science.gov (United States)

    Muto, S.; Stone, N. J.; Bingham, C. R.; Stone, J. R.; Walker, P. M.; Audi, G.; Gaulard, C.; Köster, U.; Nikolov, J.; Nishimura, K.; Ohtsubo, T.; Podolyak, Z.; Risegari, L.; Simpson, G. S.; Veskovic, M.; Walters, W. B.

    2014-04-01

    This paper reports NMR measurements of the magnetic dipole moments of two high-K isomers, the 37/2-, 51.4 m, 2740 keV state in Hf177 and the 8-, 5.5 h, 1142 keV state in Hf180 by the method of on-line nuclear orientation. Also included are results on the angular distributions of γ transitions in the decay of the Hf177 isotope. These yield high precision E2/M1 multipole mixing ratios for transitions in bands built on the 23/2+, 1.1 s, isomer at 1315 keV and on the 9/2+, 0.663 ns, isomer at 321 keV. The new results are discussed in the light of the recently reported finding of systematic dependence of the behavior of the gR parameter upon the quasiproton and quasineutron make up of high-K isomeric states in this region.

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  7. 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)

  8. 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...

  9. Lifetime of the first excited 2{sup +} state in {sup 172}Hf and {sup 174}Hf

    Energy Technology Data Exchange (ETDEWEB)

    Gerst, Rosa-Belle; Stegemann, Simon; Jolie, Jan; Regis, Jean-Marc; Rudigier, Matthias; Saed-Samii, Nima; Zell, Karl Oskar [Institut fuer Kernphysik, Universitaet zu Koeln, Zuelpicher Str. 77, 50937 Koeln (Germany)

    2014-07-01

    Using the {sup 170}Yb(α,2n) and {sup 172}Yb(α,2n) reactions the lifetimes of the first excited 2{sup +} state in {sup 172}Hf and {sup 174}Hf have been measured in fast-timing experiments using the Cologne Orange-Spectrometer and 6 LaBr{sub 3}(Ce)-Detectors. The lifetimes were obtained analyzing e{sup -}-γ-coincidence time-spectra with the slope method. The new and more precise lifetimes correct existing, outdated lifetimes in nuclear databases. Additionally, the systematics of the B(E2,2{sub 1}{sup +}→0{sub 1}{sup +}) is studied.

  10. Search for chemical separations of the element 106 homologues in HF and HF-HCl media

    International Nuclear Information System (INIS)

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

    1996-01-01

    In order to study the chemical properties of element 263 106 in aqueous media, fast, efficient and reproducible chromatographic separations were tested on its assumed homologous: Mo, W and U. Corroborative static and dynamic off-line experiments have shown that after fixation of these three elements on anion-exchange resin in HF medium, selective elution could be achieved by using suitable concentration of HCl - HF and HCl solutions. Separations of short-lived W isotopes, produced through heavy ion irradiation were also performed on-line. (author). 27 refs., 14 figs

  11. Direct observation of effective temperature of Ta atom in layer compound TaS2 by neutron resonance absorption spectrometer

    International Nuclear Information System (INIS)

    Tokuda, Koji; Kamiyama, Takashi; Kiyanagi, Yoshiaki; Moreh, R.; Ikeda, Susumu

    2001-01-01

    A neutron resonance absorption spectrometer, DOG has been installed at KENS, High Energy Accelerator Research Organization Neutron Source, which enables us to investigate the motions of a particular element by analyzing the line width of resonance absorption spectrum. We measured the temperature dependence of the effective temperature of Ta motion in TaS 2 as well as in Ta metal using DOG. The effective temperatures extracted from the observed absorption spectrum agree well with the calculated values from the phonon density of states of Ta metal over a wide temperature range of 10 to 300 K. We also succeeded in measuring both the angular dependence and the temperature dependence of effective temperatures of Ta in a layer compound TaS 2 . Based on the temperature dependence of the effective temperature, the partial phonon density of states of Ta in TaS 2 was discussed. (author)

  12. 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.

  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. HF Radio Astronomy from a Small Satellite

    Science.gov (United States)

    2016-06-15

    SSC16-XI-03 HF Radio Astronomy from a Small Satellite Frank C. Robey1, Mary Knapp2, Alan J. Fenn1, Mark Silver1, Kerry Johnson1 Frank J. Lind3...frequency end of the electromagnetic spectrum (below 15 MHz) is one of the least explored windows in observational astronomy . Observations at these...pdf. [Accessed: 17-Oct-2015]. 3. G. Hallinan, “The Owens Valley LWA,” in Exascale Radio Astronomy , 2014, vol. 2. 4. C. J. Lonsdale, R. J. Cappallo

  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. Perturbed angular correlation investigation of the electric field gradient at 181Ta probe in the Hf 2Ni 7 compound

    Czech Academy of Sciences Publication Activity Database

    Cekić, B.; Umićević, A.; Ivanovski, V.; Hu, R.; Petrovic, C.; David, Bohumil; Barudžija, T.

    2012-01-01

    Roč. 27, č. 2 (2012), s. 95-102 ISSN 1451-3994 Grant - others:The Ministry of Education and Science of the Republic of Serbia(RS) 171001; U.S. Department of Energy(US) DE-Ac02-98CH10886 Source of funding: V - iné verejné zdroje Keywords : intermetallics * hyperfine interactions * perturbed angular correlation * magnetization * X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.000, year: 2012 http://www.doiserbia.nb.rs/img/doi/1451-3994/2012/1451-39941202095C.pdf

  17. 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.

  18. 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

  19. International collaboration on CESR-TA program

    International Nuclear Information System (INIS)

    Flanagan, John; Suetsugu, Yusuke

    2009-01-01

    An international collaboration on the CESR-TA (Cornell Electron Storage Ring-Test Accelerator) program, which is a program to investigate electron cloud instability (ECI) issues in the positron damping ring of the ILC (International Linear-Collider), is currently underway a Cornell University, KEK is supporting the program through the development of an X-ray beam profile monitor system to measure the extremely small beam size, and through the development of clearing electrodes to mitigate the ECI. (author)

  20. 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.

  1. Thermoelectric properties of doped BaHfO_3

    International Nuclear Information System (INIS)

    Dixit, Chandra Kr.; Bhamu, K. C.; Sharma, Ramesh

    2016-01-01

    We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO_3 by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO_3 doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO_3 is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO_3 is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

  2. Texture studies of Zr-2

    International Nuclear Information System (INIS)

    Madden, P.K.

    1976-09-01

    Basal pole figures of seven Zr-2 pressure tubes have been determined. The pole figures give texture factors but these do not correlate with the irradiation growth strains observed in SGHWR. Precautions taken in specimen preparation and in pole figure determination are described in detail. It is shown that any point on a pole figure may be unambiguously related to a defined set of coordinate axes in the pressure tube. (author)

  3. 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

  4. 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

  5. Nuclear quadrupole interactions in ferroelectric compounds of HF181

    International Nuclear Information System (INIS)

    Kunzler, J.V.

    1971-01-01

    Measurements of nuclear quadrupole interaction constants in perovkite-type compounds of PbHfO 3 , SnhfO 3 , CaHfO 3 e SrHfO 3 have been performed using the perturbed angular correlation technique. A range of fundamental frequencies from 150 to 550 Megaradians persecond was determined. The variation of quadrupole constants has been discussed through the molecular orbital theory

  6. Application of HF Radar in Hazard Management

    Directory of Open Access Journals (Sweden)

    Mal Heron

    2016-01-01

    Full Text Available A review is given of the impact that HF radars are having on the management of coastal hazards. Maps of surface currents can be produced every 10–20 minutes which, in real time, improve navigation safety in restricted areas commonly found near ports and harbours. The time sequence of surface current maps enables Lagrangian tracking of small parcels of surface water, which enables hazard mitigation in managing suspended sediments in dredging, in emergency situations where flotsam and other drifting items need to be found, and in pollution control. The surface current measurement capability is used to assist tsunami warnings as shown by the phased-array data from Chile following the Great Tohoku Earthquake in 2011. The newly launched Tsunami Warning Center in Oman includes a network of phased-array HF radars to provide real-time tsunami monitoring. Wind direction maps can be used to locate the position of cold fronts in the open ocean and to monitor the timing and strength of sea-breeze fronts in key locations.

  7. Thin TaC layer produced by ion mixing

    DEFF Research Database (Denmark)

    Barna, Árpád; Kotis, László; Pécz, Béla

    2012-01-01

    in strongly asymmetric ion mixing; the carbon was readily transported to the Ta layer, while the reverse process was much weaker. Because of the asymmetrical transport the C/TaC interface remained sharp independently from the applied fluence. The carbon transported to the Ta layer formed Ta......Ion-beam mixing in C/Ta layered systems was investigated. C 8nm/Ta 12nm and C 20nm/Ta 19nm/C 20nm layer systems were irradiated by Ga+ ions of energy in the range of 2–30keV. In case of the 8nm and 20nm thick C cover layers applying 5–8keV and 20–30keV Ga+ ion energy, respectively resulted...

  8. 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.

  9. 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

  10. 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.

  11. Petrochemical Characteristics and Age of Rare Metal (Ta-Nb Mineralization in Precambrian Pegmatites, Komu, Nigeria

    Directory of Open Access Journals (Sweden)

    A. OLUGBENGA

    2010-06-01

    Full Text Available The Precambrian pegmatites of Komu area intrude semi discordantly older rock types, such as biotite gneiss, amphibolites and pelitic schists. The pegmatites occur as near flat lying bodies. This study aims at elucidating the geological setting, petrography, geochemical features and age of mineralization of these pegmatite bodies, with a view to classifying them and knowing their economic potential. The petrographic analysis shows that the pegmatite samples contain mainly quartz (35%, plagioclase (15%, microcline (10% and muscovite (12% with accessories like tourmaline, tantalum, niobium and illmeno-rutiles. Geochemical analysis of the muscovites extracted from pegmatites show that these rocks are enriched in silica (>60% and Al2O3 (>12% and depleted in Fe2O3, MgO and TiO2. Trace element analysis shows that the pegmatites contain rare metals with moderately high Ta, Nb, Sn, Rb, Li and Cs values and depleted in Ti, Ba and Zr. Elemental ratios indicate low ratios of K/Cs, Th/U and K/Rb. Variation plots of Ta/(Ta+Nb versus Mn/ (Mn+Fe show that the pegmatites plot in the complex (beryl subtype field. The Na/K versus Sn, Nb, Rb variation plots show that the pegmatites of Komu area are mineralized and compare favourably with those of other mineralized pegma-tite areas like Egbe and Ijero in southwestern Nigeria. The variation plots of Ta versus K/Cs, and Ta/W versus Cs, also confirm rare metal mineralization of Komu pegmatites, which plot over the mineralized line of Beus and Gordiyenko. The K/Rb versus Rb, Cs and Sn plots indicate low K/Rb ratios indicating moderate differentiation. The Rare Earth Elements (REE show high heavy REE values and lower light REE values with prominent positive Ce anomaly and negative Eu anomaly from normalized chondrite plots. K/Ar dating of the age of mineralization of muscovites extracted from the pegmatite yielded late Pan-African ages between 502.8±13Ma and 514.5±13.2Ma. This period represents the cooling ages of the

  12. Hf isotope evidence for a hidden mantle reservoir

    DEFF Research Database (Denmark)

    Bizzarro, Martin; Simonetti, A.; Stevenson, R.K.

    2002-01-01

    High-precision Hf isotopic analyses and U-Pb ages of carbonatites and kimberlites from Greenland and eastern North America, including Earth's oldest known carbonatite (3 Ga), indicate derivation from an enriched mantle source. This previously unidentified mantle reservoir-marked by an unradiogenic...... Hf isotopic composition and preserved in the deep mantle for at least 3 b.y.-may account for the mass imbalance in Earth's Hf-Nd budget. The Hf isotopic data presented here support a common mantle source region and genetic link between carbonatite and some oceanic-island basalt volcanoes....

  13. Microstructural characterization of as-cast hf-b alloys

    Directory of Open Access Journals (Sweden)

    João Carlos Jânio Gigolotti

    2012-04-01

    Full Text Available An accurate knowledge of several metal-boron phase diagrams is important to evaluation of higher order systems such as metal-silicon-boron ternaries. The refinement and reassessment of phase diagram data is a continuous work, thus the reevaluation of metal-boron systems provides the possibility to confirm previous data from an investigation using higher purity materials and better analytical techniques. This work presents results of rigorous microstructural characterization of as-cast hafnium-boron alloys which are significant to assess the liquid composition associated to most of the invariant reactions of this system. Alloys were prepared by arc melting high purity hafnium (minimum 99.8% and boron (minimum 99.5% slices under argon atmosphere in water-cooled copper crucible with non consumable tungsten electrode and titanium getter. The phases were identified by scanning electron microscopy, using back-scattered electron image mode and X-ray diffraction. In general, a good agreement was found between our data and those from the currently accepted Hafnium-Boron phase diagram. The phases identified are αHfSS and B-RhomSS, the intermediate compounds HfB and HfB2 and the liquide L. The reactions are the eutectic L ⇔ αHfSS + HfB and L ⇔ HfB2 + B-Rhom, the peritectic L + HfB2 ⇔ HfB and the congruent formation of HfB2.

  14. 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.)

  15. 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...

  16. 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.

  17. Utilization of antenna arrays in HF systems

    Directory of Open Access Journals (Sweden)

    Louis Bertel

    2009-06-01

    Full Text Available

    Different applications of radio systems are based on the implementation of antenna arrays. Classically, radio direction

    finding operates with a multi channel receiving system connected to an array of receiving antennas. More

    recently, MIMO architectures have been proposed to increase the capacity of radio links by the use of antenna

    arrays at both the transmitter and receiver.

    The first part of this paper describes some novel experimental work carried out to examine the feasibility of applying

    MIMO techniques for communications within the HF radio band. A detailed correlation analysis of a variety

    of different antenna array configurations is presented. The second section of the paper also deals with HF

    MIMO communications, focusing on the problem from a modelling point of view. The third part presents a sensitivity

    analysis of different antenna array structures for HF direction finding applications. The results demonstrate

    that when modelling errors, heterogeneous antenna arrays are more robust in comparison to homogeneous structures


  18. Energy-beam processing studies on Ta/U and Ir/Ta systems

    International Nuclear Information System (INIS)

    Kaufmann, E.N.; Peercy, P.S.; Jacobson, D.C.; Draper, C.W.; Huegel, F.J.; Echer, C.J.; Makowiecki, D.M.; Balser, J.D.

    1983-01-01

    Films of Ta metal on uranium and of Ir metal on tantalum have been irradiated and melted by pulses from Q-switched Ruby and frequency-doubled Nd:YAG lasers to investigate the nature of the resulting mixtures in light of the very different binary-phase diagrams of the two systems. In addition, a two-phase Ir-Ta alloy has been surface-processed with CW CO 2 -laser radiation and with an electron beam in order to study microstructure refinement and test the advantage of using alloys as opposed to film-on-substrate combinations for the development of claddings

  19. Thermodynamic modeling of the Pt-Zr system

    International Nuclear Information System (INIS)

    Gao Yongliang; Guo Cuiping; Li Changrong; Du Zhenmin

    2010-01-01

    By means of the CALPHAD (CALculation of PHAse Diagram) technique, the Pt-Zr system was critically assessed. The solution phases (liquid, bcc, fcc and hcp) are described with the substitutional model. The intermetallic compounds Pt 4 Zr, Pt 4 Zr 3 , αPtZr and Pt 3 Zr 5 are treated as the formula (Pt,Zr) m (Pt,Zr) n by a two-sublattice model with the elements Pt and Zr on the first and the second sublattices, respectively. A two-sublattice model (Pt,Zr) 0.5 (Pt,Zr) 0.5 is applied to describe the compound βPtZr with CsCl-type structure (B2) in order to cope with the order-disorder transition between bcc solution (A2) and βPtZr (B2). Another two-sublattice model (Pt,Zr) 0.75 (Pt,Zr) 0.25 with Ni 3 Ti-type structure (D0 24 ) is applied to describe the compound Pt 3 Zr in order to cope with the order-disorder transition between hexagonal close-packed (A3) and Pt 3 Zr (D0 24 ). The compound Pt 10 Zr 7 is treated as a stoichiometric compound. A set of self-consistent thermodynamic parameters of the Pt-Zr system was obtained. (orig.)

  20. 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)

  1. 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...

  2. 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/

  3. International Conference on the Science and Technology of Zirconia (ZrO2IV) (4th) Held in Anaheim, California on Nov 1-3, 1989

    Science.gov (United States)

    1990-02-01

    niobia-zirconia powder from freshly precipitated hydrous zirconia and niobium- Different ceria stabilized TZP ceram- ammonium oxalate . Zirconia powders...is mol% Nb205 showed single orthorhombic phase an acid soluble Zr-Y-REE-Nb-Ta-sili- while this phase always coexisted with mono- cate occurring in a...C :1RCONIA, Chen-Feng Kao and Tsu-Meng BY HYDROTHERMAL PRECIPITATION METHOD, S. P Fueng, Dept of Chemical Engineering, Somiya*, Nishi-Tokyo Univ

  4. 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

  5. Limited Range Sesame EOS for Ta

    Energy Technology Data Exchange (ETDEWEB)

    Greeff, Carl William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Crockett, Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rudin, Sven Peter [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Burakovsky, Leonid [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-30

    A new Sesame EOS table for Ta has been released for testing. It is a limited range table covering T ≤ 26, 000 K and ρ ≤ 37.53 g/cc. The EOS is based on earlier analysis using DFT phonon calculations to infer the cold pressure from the Hugoniot. The cold curve has been extended into compression using new DFT calculations. The present EOS covers expansion into the gas phase. It is a multi-phase EOS with distinct liquid and solid phases. A cold shear modulus table (431) is included. This is based on an analytic interpolation of DFT calculations.

  6. Measurement of recoil nuclei of Ta photofission

    International Nuclear Information System (INIS)

    Amroyan, K.A.; Barsegyan, S.A.; Demekhina, N.A.

    1993-01-01

    The results of measuring the characteristics of nuclei leaving the Ta target bombarded by 4,5 GeV bremsstrahlung photons are presented. The thick-target-trap technique is used. The radioactive residual nuclei were detected by the induced activity with the help of the Ge(Li) detector. The forward-backward nucleus ratio is measured, and the kinematical characteristics are calculated in the framework of the two-step vector model of velocities. The data analysis and systematization is carried out in comparison with the results of hardon-nuclear interactions

  7. TA-2 Water Boiler Reactor Decommissioning Project

    International Nuclear Information System (INIS)

    Durbin, M.E.; Montoya, G.M.

    1991-06-01

    This final report addresses the Phase 2 decommissioning of the Water Boiler Reactor, biological shield, other components within the biological shield, and piping pits in the floor of the reactor building. External structures and underground piping associated with the gaseous effluent (stack) line from Technical Area 2 (TA-2) Water Boiler Reactor were removed in 1985--1986 as Phase 1 of reactor decommissioning. The cost of Phase 2 was approximately $623K. The decommissioning operation produced 173 m 3 of low-level solid radioactive waste and 35 m 3 of mixed waste. 15 refs., 25 figs., 3 tabs

  8. Direct currents produced by hf heating of plasma

    International Nuclear Information System (INIS)

    Klima, R.

    1974-01-01

    In addition to the well-known diffusion currents, toroidal direct currents arise in h.f. heated plasmas as a result of a momentum transfer from the h.f. field to plasma particles. The estimates of steady-state conditions are given for these currents. Particularly, the possibility of stationary operation of a Tokamak device is analyzed. (author)

  9. Lu-Hf and Sm-Nd garnet geochronology

    DEFF Research Database (Denmark)

    Smit, Matthijs Arjen; Scherer, Erik E.; Mezger, Klaus

    2013-01-01

    To investigate the systematics of the 176Lu–176Hf and 147Sm–143Nd garnet chronometers, we performed REE and isotope analyses on garnet crystals of different size (0.55–3.1 mm radius) from a single granulite specimen (Archean Pikwitonei Granulite Domain, Manitoba, Canada). The Lu–Hf dates are simi...

  10. 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.

  11. 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

  12. 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

  13. Microstructural evolution of Ni40Zr60 alloy during early stage of mechanical alloying of intermetallic compounds NiZr2 and Ni11Zr9

    International Nuclear Information System (INIS)

    Lee Peeyew; Koch, C.C.

    1994-01-01

    The microstructural change of Ni 40 Zr 60 alloy during mechanical alloying of mixtures of the intermetallic compounds NiZr 2 and Ni 11 Zr 9 has been studied by transmission electron microscopy. A specific ''cauliflower'' phase was formed during early stage of mechanical alloying process. It is suggested that the solid state reaction between intermetallic compounds NiZr 2 and Ni 11 Zr 9 is not the only origin for the formation of the ''cauliflower'' phase. ((orig.))

  14. 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.

  15. 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.

  16. Oxidation behavior of Zr and its alloys

    International Nuclear Information System (INIS)

    Costa, I.; Ramanathan, L.V.

    1984-01-01

    The environment effect, material composition, thermal treatment and superficial treatment on the oxidation behavior of Zr, Zircaloy-4 and Zr - 2,5% Nb, in the temperature range of 400 - 900 0 C, by thermogravimetry were studied. (E.G.) [pt

  17. Social shaping of technology in TA and HTA

    DEFF Research Database (Denmark)

    Clausen, Christian; Yoshinaka, Yutaka

    2004-01-01

    The paper discusses how the social shaping of technology (SST) approach may be useful in understanding the role played by technology assessment within the context of technological development and change. It is proposed that an SST perspective on TA (or HTA) yields particular insight, regardless...... of whether or not the TA activity bases itself on a social shaping understanding of technology. This is because SST addresses the socially negotiated character of technological development, where TA itself may be construed as an element influencing the process of such negotiation. At the same time, TA...... is a construction, that is, itself a product of negotiations involving social actors. Thus, an understanding that TA is socially shaped, and is involved in the shaping of technology, opens up for a perspective on TA as both entailing constraints and enablements within the context of the particular agenda...

  18. Microstructure and superplasticity of TA15 alloy

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Q.J., E-mail: cruzesun@nchu.edu.cn; Wang, G.C.

    2014-06-01

    Superplasticity of TA15 alloy was investigated by constant strain rate tensile method in this work. In order to enhance superplasticity, thermo-mechanical techniques were applied for refining the grains of the alloy first. The superplastic tensile tests were carried out on a SANS CMT4104 electronic tensile testing machine at temperatures ranging from 780 to 950 °C and strain rates from 3.3×10{sup −4} to 1.1×10{sup −2} s{sup −1}. The tensile elongation-to-failure values between 188% and 1074% were obtained. Microstructure evolution after superplastic deformation was also analyzed by optical microscope (OM) and transmission electron microscope (TEM). The micrographs show that the grains were coarsened after deformation, and α→β phase transformation took place at 950 °C, which resulted in the worst superplasticity. Extensive strain hardening stages were observed in the true stress–strain curves due to high dense dislocations in the thermo-mechanically processed alloy and dynamic grain growth during superplastic deformation. The strain rate sensitivity m and the activation energy values at various deformation conditions were calculated, respectively. Based on an analysis of the above studies, it may be inferred that grain boundary sliding (GBS) in TA15 alloy is accommodated by grain boundary diffusion at high temperatures and low strain rates, and the accommodation process involves dislocation glide creep at low temperatures and high strain rates.

  19. Accident selection methodology for TA-55 FSAR

    International Nuclear Information System (INIS)

    Letellier, B.C.; Pan, P.Y.; Sasser, M.K.

    1995-01-01

    In the past, the selection of representative accidents for refined analysis from the numerous scenarios identified in hazards analyses (HAs) has involved significant judgment and has been difficult to defend. As part of upgrading the Final Safety Analysis Report (FSAR) for the TA-55 plutonium facility at the Los Alamos National Laboratory, an accident selection process was developed that is mostly mechanical and reproducible in nature and fulfills the requirements of the Department of Energy (DOE) Standard 3009 and DOE Order 5480.23. Among the objectives specified by this guidance are the requirements that accident screening (1) consider accidents during normal and abnormal operating conditions, (2) consider both design basis and beyond design basis accidents, (3) characterize accidents by category (operational, natural phenomena, etc.) and by type (spill, explosion, fire, etc.), and (4) identify accidents that bound all foreseeable accident types. The accident selection process described here in the context of the TA-55 FSAR is applicable to all types of DOE facilities

  20. Total neutron cross section for 181Ta

    Directory of Open Access Journals (Sweden)

    Schilling K.-D.

    2010-10-01

    Full Text Available The neutron time of flight facility nELBE, produces fast neutrons in the energy range from 0.1 MeV to 10 MeV by impinging a pulsed relativistic electron beam on a liquid lead circuit [1]. The short beam pulses (∼10 ps and a small radiator volume give an energy resolution better than 1% at 1 MeV using a short flight path of about 6 m, for neutron TOF measurements. The present neutron source provides 2 ⋅ 104  n/cm2s at the target position using an electron charge of 77 pC and 100 kHz pulse repetition rate. This neutron intensity enables to measure neutron total cross section with a 2%–5% statistical uncertainty within a few days. In February 2008, neutron radiator, plastic detector [2] and data acquisition system were tested by measurements of the neutron total cross section for 181Ta and 27Al. Measurement of 181Ta was chosen because lack of high quality data in an anergy region below 700 keV. The total neutron cross – section for 27Al was measured as a control target, since there exists data for 27Al with high resolution and low statistical error [3].

  1. 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.

  2. Ultrathin TaOx film based photovoltaic device

    International Nuclear Information System (INIS)

    Tyagi, Pawan

    2011-01-01

    Application of the economical metal oxide thin-film photovoltaic devices is hindered by the poor energy efficiency. This paper investigates the photovoltaic effect with an ultrathin tantalum oxide (TaOx) tunnel barrier, formed by the plasma oxidation of a pre-deposited tantalum (Ta) film. These ∼ 3 nm TaOx tunnel barriers showed approximately 160 mV open circuit voltage and 3-5% energy efficiency, for varying light intensity. The ultrathin TaOx (∼ 3 nm) could absorb approximately 12% of the incident light radiation in 400-1000 nm wavelength range; this strong light absorbing capability was found to be associated with the dramatically large extinction coefficient. Spectroscopic ellipsometry revealed that the extinction coefficient of 3 nm TaOx was ∼ 0.2, two orders higher than that of tantalum penta oxide (Ta 2 O 5 ). Interestingly, refractive index of this 3 nm thick TaOx was comparable with that of stochiometeric Ta 2 O 5 . However, heating and prolonged high-intensity light exposure deteriorated the photovoltaic effect in TaOx junctions. This study provides the basis to explore the photovoltaic effect in a highly economical and easily processable ultrathin metal oxide tunnel barrier or analogous systems.

  3. Preparation of Ta Te2 thin films by laser ablation

    International Nuclear Information System (INIS)

    Zidan, M.D.; Alkhwam, M.; Alkhasm, M.

    2006-03-01

    The laser ablation system consisting of a vacuum chamber and Nd-YAG laser has been built for deposition TaTe 2 on three different substrates (Silicon, glass, and Aluminium). The surface topography of the prepared thin films has been studied by atomic force microscopy (AFM). TaTe 2 powder was characterized by using x-ray diffraction. The crystallinity of the thin films was examined by x-ray diffraction (XRD). The results show no peaks corresponding TaTe 2 , but there are some indications to the Ta 3 N 5 . (author)

  4. Aqueous corrosion behaviour of Zr-1 Nb and Zr-20 Nb with different heat treatments

    International Nuclear Information System (INIS)

    Jaime Solis, F.; Bordoni, Roberto; Olmedo, Ana M.; Villegas, Marina; Miyagusuku, Marcela

    2003-01-01

    The corrosion behaviour of Zr-1 Nb and Zr-20 Nb coupons annealed at 850 C degrees during 1 hour and afterwards aged at different temperatures and time periods was studied. The Zr-1 Nb samples were aged at 400 and 500 C degrees and the Zr-20 Nb samples at 265 and 550 C degrees. The results have shown that ageing increases the corrosion resistance because the aged microstructure is somewhat closer to the equilibrium one. This was not the case of Zr-1 Nb aged 72 hs at 400 C degrees. The presence of the ω-phase does not have a deleterious effect in the corrosion behaviour of Zr-20 Nb. Also, an ageing of 2200 h at 265 C degrees induced a relevant decrease in the corrosion rate of Zr-20 Nb indicating a decomposition of the β- Zr phase. This effect was observed at the inlet of pressure tubes in CANDU reactors. The results obtained will be used to establish the relative importance of the α-Zr and β-Zr phases in the corrosion behaviour of pressure tubes. (author)

  5. 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

  6. Influence of 45S5 Bioglass addition on microstructure and properties of ultrafine grained (Mg-4Y-5.5Dy-0.5Zr) alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, K., E-mail: kamil.kowalski@put.poznan.pl [Institute of Materials Science and Engineering, Poznan University of Technology, Jana Pawla II 24, 61-138 Poznan (Poland); Jurczyk, M.U. [Division of Mother’s and Child’s Health, Poznan University of Medical Sciences, Polna 33, 60-535 Poznan (Poland); Wirstlein, P.K. [Department of Gynecology and Obstetrics, Division of Reproduction, Poznan University of Medical Sciences, Polna 33, 60-535 Poznan (Poland); Jakubowicz, J.; Jurczyk, M. [Institute of Materials Science and Engineering, Poznan University of Technology, Jana Pawla II 24, 61-138 Poznan (Poland)

    2017-05-15

    Highlights: • Ultrafine grained composites were formed by consolidating mechanically alloyed powders. • Mechanical properties were sensitive to the content of 45S5 Bioglass in Mg-4Y-5.5Dy-0.5Zr alloy. • Fluoride treated composites displayed superior corrosion resistance in Ringer solution. • Composites modified with MgF{sub 2} have a higher degree of biocompatibility in comparison with the unmodified reference material. - Abstract: Bulk samples of an ultrafine grained (Mg-4Y-5.5Dy-0.5Zr)-x wt% 45S5 Bioglass (x = 0, 5) and (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass-1 wt% Ag composites have been synthesized by consolidating mechanically alloyed powders. The influence of the chemical composition on the microstructure, mechanical properties and corrosion behavior of bulk composites were studied. The sintering of (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass powders led to the formation of a bulk composite with grain size of approx. 95 nm. The corrosion behavior of Mg-based composites before and after hydrofluoric acid treatment was also investigated. The ultrafine grained (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass composite was more corrosion resistant than the bulk Mg-4Y-5.5Dy-0.5Zr alloy after HF treatment. The in vitro biocompatibility of synthesized composites was evaluated and compared with microcrystalline magnesium. Magnesium, (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass and (Mg-4Y-5.5Dy-0.5Zr)-5 wt% 45S5 Bioglass-1 wt% Ag composites modified with MgF{sub 2} have a higher degree of biocompatibility in comparison with the unmodified reference material.

  7. 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.

  8. Determination of 93Zr in nuclear power plant wastes

    DEFF Research Database (Denmark)

    Osváth, Szabolcs; Vajda, Nora; Molnar, Zsuzsa

    2017-01-01

    A radioanalytical method (based on separation using UTEVA columns and ICP-MS measurement) has been used for determination of 93Zr in 37 nuclear power plant samples. As 93Nb might affect the detection of 93Zr, Monte Carlo activation model was used to calculate the expected 93Zr/natZr mass ratio...

  9. 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.

  10. 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.

  11. Process Simulation Analysis of HF Stripping

    Directory of Open Access Journals (Sweden)

    Thaer A. Abdulla

    2015-02-01

    Full Text Available    HYSYS process simulator is used for the analysis of existing HF stripping column in LAB plant (Arab Detergent Company, Baiji-Iraq. Simulated column performance and profiles curves are constructed. The variables considered are the thermodynamic model option, bottom temperature, feed temperature, and column profiles for the temperature, vapor flow rate, liquid flow rate and composition. The five thermodynamic models options used (Margules, UNIQUAC, van laar, Antoine, and Zudkevitch-Joffee, affecting the results within (0.1-58% variation for the most cases.        The simulated results show that about 4% of paraffin (C10 & C11 presents at the top stream, which may cause a problem in the LAB production plant. The major variations were noticed for the total top vapor flow rate with bottom temperature and with feed composition. The column profiles maintain fairly constants from tray 5 to tray 18. The study gives evidence about a successful simulation with HYSYS because the results correspond with the real plant operation data.

  12. Grindability of cast Ti-Hf alloys.

    Science.gov (United States)

    Kikuchi, Masafumi; Takahashi, Masatoshi; Sato, Hideki; Okuno, Osamu; Nunn, Martha E; Okabe, Toru

    2006-04-01

    As part of our systematic studies characterizing the properties of titanium alloys, we investigated the grindability of a series of cast Ti-Hf alloys. Alloy buttons with hafnium concentrations up to 40 mass% were made using an argon-arc melting furnace. Each button was cast into a magnesia-based mold using a dental titanium casting machine; three specimens were made for each metal. Prior to testing, the hardened surface layer was removed. The specimens were ground at five different speeds for 1 min at 0.98 N using a carborundum wheel on an electric dental handpiece. Grindability was evaluated as the volume of metal removed per minute (grinding rate) and the volume ratio of metal removed compared to the wheel material lost (grinding ratio). The data were analyzed using ANOVA. A trend of increasing grindability was found with increasing amounts of hafnium, although there was no statistical difference in the grindability with increasing hafnium contents. We also found that hafnium may be used to harden or strengthen titanium without deteriorating the grindability.

  13. Time variations of hf induced plasma waves

    International Nuclear Information System (INIS)

    Showen, R.L.

    1976-01-01

    Intense plasma waves are generated by an HF pump wave in an ionospheric heating experiment at the Arecibo Observatory. These plasma waves can be observed as enhancements to the ion and plasma lines of the incoherent backscatter echo. The enhancements can be three or four orders of magnitude more intense than the unenhanced lines, and tend to fluctuate wildly. Both the purely growing and the decay mode parametric instabilities are present. When the pump wave is turned on abruptly the enhancements develop in time in a repeatable manner. A rather remarkable feature on time scales of seconds is an overshoot in instability power. These overshoots occur frequently but not universally and last for 1 to 6 seconds. They can have a magnitude from ten to hundreds of times the average instability level. Field aligned irregularities may be the cause of the overshoots. The overshoots appear definitely related to an unusually rapid rise in measured electron temperature that cannot be understood in terms of ohmic energy deposition. On time scales of milliseconds there is a ''mini-overshoot'' before the growth of the instability to a large value. The spectral details also change in a striking manner. The instabilities can first be detected 2 to 4 msec after the pump wave turn-on. The decay mode is present as well as a broad featureless ''noise bump'', which partially sharpens into a line as time progresses. These changes of the spectra in time seem to run counter to the currently accepted theories of plasma wave saturation

  14. Electroexcitation of giant resonances in 181Ta

    International Nuclear Information System (INIS)

    Hicks, R.S.; Auer, I.P.; Bergstrom, J.C.; Caplan, H.S.

    1977-01-01

    The giant resonance region of 181 Ta has been investigated by means of inelastic electron scattering with primary electron energies of 79.1 to 118.3 MeV. A peak-fitting procedure was employed to separate the measured spectrum into nine different resonance components. Multipolarity and strength assignments were deduced using DWBA analysis with the Goldhaber-Teller and Steinwedel-Jensen models. In addition to the well-known giant dipole structure, other resonances were identified at 23.2+-0.3 MeV (E2), 9.5+-0.2 and 11.5+-0.2 MeV (E2 or E0), 19.5+-0.8 MeV (E3), 3.70+-0.14 MeV (E3 or E4), and 5.40+-0.15 MeV (E4 or E5). The model dependence of the analysis is discussed. (Auth.)

  15. The Mo/Ta (100) interface

    International Nuclear Information System (INIS)

    Quintanar, C.; Velasco, V.R.; Garcia-Moliner, F.

    1990-12-01

    We have calculated the interface local density of states (ILDOS) formed by the transition metals Mo/Ta using a tight-binding Slater-Koster description and the Green Function matching method together with quickly converging algorithms to compute the transfer matrices. We obtain the surface LDOS as a byproduct. Our result is a useful tool to analyze experimental results and to check models as a function of the value of the tight-binding parameters either of the bulk or at the interface itself. We consider the (100) direction. We compare the interface to the bulk and to the surface and comment on some recently found experimental results for this interface. (author). 17 refs, 2 figs

  16. LRAD surface monitoring results at TA-21

    International Nuclear Information System (INIS)

    Bounds, J.A.

    1995-01-01

    In August/September 1994, NIS-6 personnel used LRAD soil surface monitor technology to characterize the extent of alpha contamination on the surface of a parking lot adjacent to TA-21, LANL, known as Material Disposal Area B. This report documents that monitoring. Based on this survey, there is no reason for concern about significant contamination in the parking area as a whole, although unexpected small hot spots could exist between the grid points where monitoring was performed. However, the grouping of high readings on the east side of the parking area does point to possible contamination at the level of 100 dpm/100 cm 2 or less (above background). Further monitoring or remediation of this area seems appropriate. In addition, because this was an alpha survey, one cannot rule out contamination under the asphalt or possibly between layers if it was paved more than once

  17. Interdiffusion and reaction between U and Zr

    Science.gov (United States)

    Park, Y.; Newell, R.; Mehta, A.; Keiser, D. D.; Sohn, Y. H.

    2018-04-01

    The microstructural development and diffusion kinetics were examined for the binary U vs. Zr system using solid-to-solid diffusion couples, U vs. Zr, annealed at 580 °C for 960 h, 650 °C for 480 h, 680 °C for 240 h, and 710 °C for 96 h. Scanning and transmission electron microscopies with X-ray energy dispersive spectroscopy were employed for detailed microstructural and compositional analyses. Interdiffusion and reaction in U vs. Zr diffusion couples primarily produced: δ-UZr2 solid solution (hP3) and α‧-U at 580 °C; and (γU,βZr) solid solution (cI2) and α‧-U at 650°, 680° and 710 °C. The α‧-phase was confirmed as a reduced variant of the α-U orthorhombic structure with lattice parameters, a × b × c = 2.65 × 5.40 × 4.75 (Å) with a negligible solubility for Zr at room temperature. Concentration profiles were examined to determine interdiffusion coefficients, integrated interdiffusion coefficients, and intrinsic diffusion coefficients using Boltzmann-Matano, Wagner, and Heumann analyses, respectively. Composition-dependence of interdiffusion coefficients were documented for α-U, δ-UZr2 (at 580 °C) and (γU,βZr) solid solution (at 650°, 680° and 710 °C). U was determined to intrinsically diffuse faster than Zr, approximately by an order of magnitude, in the δ-UZr2 at 580 °C, and (γU,βZr) phases at 650°, 680° and 710 °C. Based on Darken's approach, thermodynamic data available in literature were coupled to estimate the tracer diffusion coefficients and atomic mobilities of U and Zr.

  18. 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.

  19. The Development of HfO2-Rare Earth Based Oxide Materials and Barrier Coatings for Thermal Protection Systems

    Science.gov (United States)

    Zhu, Dongming; Harder, Bryan James

    2014-01-01

    Advanced hafnia-rare earth oxides, rare earth aluminates and silicates have been developed for thermal environmental barrier systems for aerospace propulsion engine and thermal protection applications. The high temperature stability, low thermal conductivity, excellent oxidation resistance and mechanical properties of these oxide material systems make them attractive and potentially viable for thermal protection systems. This paper will focus on the development of the high performance and high temperature capable ZrO2HfO2-rare earth based alloy and compound oxide materials, processed as protective coating systems using state-or-the-art processing techniques. The emphasis has been in particular placed on assessing their temperature capability, stability and suitability for advanced space vehicle entry thermal protection systems. Fundamental thermophysical and thermomechanical properties of the material systems have been investigated at high temperatures. Laser high-heat-flux testing has also been developed to validate the material systems, and demonstrating durability under space entry high heat flux conditions.

  20. 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.