Investigation into the magnetic properties of pyrochlore-type rare-earth hafnates

Energy Technology Data Exchange (ETDEWEB)

Chun, Jung Hwan; Kremer, Reinhard K.; Lin, Chengtian [MPI for Solid State Research, Stuttgart (Germany)

2015-07-01

Cubic rare-earths transition metal pyrochlores with composition R{sub 2}TM{sub 2}O{sub 7} have attracted broad attention because of their unusual magnetic ground state properties related to geometrical frustration of the pyrochlores lattice. So far, the investigation focused mainly on 3d and 4d transition metal systems. The magnetic properties of rare-earths 5d TM pyrochlores are comparatively less well studied. Here we report on the single-crystal growth and the magnetic properties of some rare-earth hafnates (R =Nd, Gd, Dy; TM = Hf) of composition R{sub 2}Hf{sub 2}O{sub 7}. Nd{sub 2}Hf{sub 2}O{sub 7} and Gd{sub 2}Hf{sub 2}O{sub 7} crystallize with the cubic pyrochlores structure whereas diverging reports on the structure of Dy{sub 2}Hf{sub 2}O{sub 7} are available in literature. Crystals of R{sub 2}Hf{sub 2}O{sub 7} have been grown and their structural and magnetic properties have been investigated. Our investigations confirm Nd{sub 2}Hf{sub 2}O{sub 7} and Gd{sub 2}Hf{sub 2}O{sub 7} to crystallize in the cubic pyrochlores structure. Antiferromagnetic ordering below ∝0.5 K has been observed by magnetic susceptibility and heat capacity measurements for both compounds.

Frustration under pressure: Exotic magnetism in new pyrochlore oxides

Directory of Open Access Journals (Sweden)

C. R. Wiebe

2015-04-01

Full Text Available Pyrochlore structures, of chemical formula A2B2O7 (A and B are typically trivalent and tetravalent ions, respectively, have been the focus of much activity in the condensed matter community due to the ease of substitution of rare earth and transition metal ions upon the two interpenetrating corner-shared tetrahedral lattices. Over the last few decades, superconductivity, spin liquid states, spin ice states, glassy states in the absence of chemical disorder, and metal-insulator transitions have all been discovered in these materials. Geometric frustration plays a role in the relevant physics of all of these phenomena. In the search for new pyrochlore materials, it is the RA/RB cation radius ratio which determines the stability of the lattice over the defect fluorite structure in the lower limit. Under ambient pressure, the pyrochlores are stable for 1.36 ≤ RA/RB ≤ 1.71. However, using high pressure synthesis techniques (1-10 GPa of pressure, metastable pyrochlores exist up to RA/RB = 2.30. Many of these compounds are stable on a timescale of years after synthesis, and provide a means to greatly enhance exchange, and thus test theories of quantum magnetism and search for new phenomena. Within this article, we review new pyrochlore compounds synthesized via high pressure techniques and show how the ground states are extremely sensitive to chemical pressure.

Structures and solid solution mechanisms of pyrochlore phases in the systems Bi{sub 2}O{sub 3}-ZnO-(Nb, Ta){sub 2}O{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Tan, K.B., E-mail: tankb@science.upm.edu.m [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Khaw, C.C. [Department of Engineering, Universiti Tunku Abdul Rahman, 53300 Setapak, Kuala Lumpur (Malaysia); Lee, C.K. [Academic Science Malaysia, 902-4 Jalan Tun Ismail, 50480 Kuala Lumpur (Malaysia); Zainal, Z. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Miles, G.C. [Department of Engineering Materials, The University of Sheffield, Mappin Street, Sheffield, S1 3JD (United Kingdom)

2010-10-22

Research highlights: {yields} Combined XRD and ND Rietveld structural refinement of pyrochlores. {yields} Structures and solid solution mechanisms of Bi-pyrochlores. {yields} Bi and Zn displaced off-centre to different 96g A-site positions. {yields} Summary of composition-structure-property of Bi-pyrochlores. - Abstract: The crystal structures of two pyrochlore phases have been determined by Rietveld refinement of combined X-ray and neutron powder diffraction data. These are stoichiometric, Bi{sub 1.5} ZnTa{sub 1.5}O{sub 7} and non-stoichiometric Bi{sub 1.56}Zn{sub 0.92}Nb{sub 1.44}O{sub 6.86}. In both structures, Zn is distributed over A- and B-sites; Bi and Zn are displaced off-centre, to different 96g A-site positions; of the three sets of oxygen positions, O(1) are full, O(2) contain vacancies and O(3) contain a small number of oxygen, again in both cases. Comparisons between these structures, those of related Sb analogues and literature reports are made.

Investigation of annealed and metamict pyrochlore minerals by x-ray absorption spectroscopy

International Nuclear Information System (INIS)

Greegor, R.B.; Lytle, F.W.; Ewing, R.C.; Chakoumakos, B.C.; Lumpkin, G.R.

1984-01-01

Materials of the pyrochlore structure type exhibit a variety of interesting properties including phases capable of acting as hosts for actinides in radioactive wastes. Studies of curium doped gadolinium titanate phases (Gd 2 Ti 2 O 7 ) have been made which showed that the radiation damage ingrowth followed an exponential relationship. For the study reported here a series of synthetic pyrochlores were produced having the titanate phase with the general formula (RE) 2 Ti 2 O 7 , RE = Er, Y 2 , Gd 2 , Dy, La. Additionally a set of metamict (radiation damaged) pyrochlores was examined in both a natural and post temperature annealed state. Experiments were conducted on these samples using the Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) techniques. In summary, these studies show that in pyrochlore structure types the Ti-O cage undergoes changes due to radiation damage. The individual Ti-O bonds become more disordered which leads to a loss of short and long range order and, ultimately, to expansion of the bulk material. 2 refs., 2 figs

Properties and recrystallization of radiation damaged pyrochlore and titanite

Energy Technology Data Exchange (ETDEWEB)

Zietlow, Peter

2016-11-02

Radiation damage in minerals is caused by the alpha-decay of incorporated radionuclides, such as U and Th and their decay products. The effect of thermal annealing (400-1400 K) on radiation-damaged pyrochlores has been investigated by Raman scattering, X-ray powder diffraction (XRD), and combined differential scanning calorimetry/thermogravimetry (DSC/TG) (Zietlow et al., in print). The analysis of three natural radiation-damaged pyrochlore samples from Miass/Russia (6.4 wt% Th, 23.1.10{sup 18} a-decay events per gram (dpg)), Zlatoust/Russia (6.3 wt% Th, 23.1.10{sup 18} dpg), Panda Hill/Tanzania (1.6 wt% Th, 1.6.10{sup 18} dpg), and Blue River/Canada (10.5 wt% U, 115.4.10{sup 18} dpg), are compared with a crystalline reference pyrochlore from Schelingen (Germany). The type of structural recovery depends on the initial degree of radiation damage (Panda Hill 28 %, Blue River 85 %, Zlatoust and Miass 100 % according to XRD), as the recrystallization temperature increases with increasing degree of amorphization. Raman spectra indicate reordering on the local scale during annealing-induced recrystallization. As Raman modes around 800 cm{sup -1} are sensitive to radiation damage (Vandenborre and Husson 1983, Moll et al. 2011), the degree of local order was deduced from the ratio of the integrated intensities of the sum of the Raman bands between 605 and 680 cm{sup -1} devided by the sum of the integrated intensities of the bands between 810 and 860 cm{sup -1}. The most radiation damaged pyrochlores (Miass and Zlatoust) show an abrupt recovery of both, its short- (Raman) and long-range order (X-ray) between 800 and 850 K. The volume decrease upon recrystallization in Zlatoust pyrochlore was large enough to crack the sample repeatedly. In contrast, the weakly damaged pyrochlore (Panda Hill) begins to recover at considerably lower temperatures (near 500 K), extending over a temperature range of ca. 300 K, up to 800 K (Raman). The pyrochlore from Blue River shows in its

Experimental Insights into Ground-State Selection of Quantum XY Pyrochlores

Science.gov (United States)

Hallas, Alannah M.; Gaudet, Jonathan; Gaulin, Bruce D.

2018-03-01

Extensive experimental investigations of the magnetic structures and excitations in the XY pyrochlores have been carried out over the past decade. Three families of XY pyrochlores have emerged: Yb2B2O7, Er2B2O7, and, most recently, [Formula: see text]Co2F7. In each case, the magnetic cation (either Yb, Er, or Co) exhibits XY anisotropy within the local pyrochlore coordinates, a consequence of crystal field effects. Materials in these families display rich phase behavior and are candidates for exotic ground states, such as quantum spin ice, and exotic ground-state selection via order-by-disorder mechanisms. In this review, we present an experimental summary of the ground-state properties of the XY pyrochlores, including evidence that they are strongly influenced by phase competition. We empirically demonstrate the signatures for phase competition in a frustrated magnet: multiple heat capacity anomalies, suppressed TN or TC, sample- and pressure-dependent ground states, and unconventional spin dynamics.

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln = Nd, Gd, Er) at high pressure.

Science.gov (United States)

Turner, Katlyn M; Tracy, Cameron L; Mao, Wendy L; Ewing, Rodney C

2017-11-09

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln=Nd, Gd, and Er) were investigated in situ to 50 GPa in order to determine their structural response to compression and compare it to that of lanthanide titanate, zirconate, and hafnate pyrochlores. The cation radius ratio of A3+/B4+ in pyrochlore oxides (A2B2O7) is thought to be the dominant property that influences their compression response. The ionic radius of Sn4+ is intermediate to that of Ti4+, Zr4+, and Hf4+, but the bond in stannate pyrochlore is more covalent than the bonds in titanates, zirconate, and hafnates. In stannates, the pyrochlore cation and anion sublattices begin to disorder at 0.3 GPa. The extent of sublattice disorder vs. pressure is greater in stannates with a smaller Ln3+ cation. Stannate pyrochlores (Fd-3m) begin a sluggish transformation to a cotunnite-like structure (Pnma) at ~28 GPa; similar transitions have been observed in titanate, zirconate, and hafnate pyrochlore at varying pressures with cation radius ratio. The extent of the phase transition vs. pressure varies directly with the size of the Ln3+ cation. Post-decompression from ~50 GPa, Er2Sn2O7 and Gd2Sn2O7 adopt a pyrochlore structure, rather than the multiscale defect-fluorite + weberite structure adopted by Nd2Sn2O7 that is characteristic of titanate, zirconate, and hafnate pyrochlore treated to similar conditions. Like pyrochlore titanates, zirconates, and hafnates, the bulk modulus, B0, of stannates varies linearly and inversely with cation radius ratio. The trends of bulk moduli in stannates in this study are in excellent agreement with previous experimental studies on stannates, and suggest that the size of the Ln3+ cation is a primary determining factor of B0. Additionally, when normalized to rA/rB, the bulk moduli of stannates are comparable to those of zirconates and hafnates, which vary from titanates. Our results suggest that the cation radius ratio strongly influences the bulk moduli of stannates as well as

Processing glass-pyrochlore composites for nuclear waste encapsulation

International Nuclear Information System (INIS)

Pace, S.; Cannillo, V.; Wu, J.; Boccaccini, D.N.; Seglem, S.; Boccaccini, A.R.

2005-01-01

Glass matrix composites have been developed as alternative materials to immobilize nuclear solid waste, in particular actinides. These composites are made of soda borosilicate glass matrix, into which particles of lanthanum zirconate pyrochlore are encapsulated in concentrations of 30 vol.%. The fabrication process involves powder mixing followed by hot-pressing. At the relatively low processing temperature used (620 deg. C), the pyrochlore crystalline structure of the zirconate, which is relevant for containment of radioactive nuclei, remains unaltered. The microstructure of the composites exhibits a homogeneous distribution of isolated pyrochlore particles in the glass matrix and strong bonding at the matrix-particle interfaces. Hot-pressing was found to lead to high densification (95% th.d.) of the composite. The materials are characterized by relatively high elastic modulus, flexural strength, hardness and fracture toughness. A numerical approach using a microstructure-based finite element solver was used in order to investigate the mechanical properties of the composites

Isomorphic Structural Transition in the β-Pyrochlore Oxide Superconductor KOs2O6

Science.gov (United States)

Yamaura, Jun-ichi; Takigawa, Masashi; Yamamuro, Osamu; Hiroi, Zenji

2010-04-01

A phase transition observed at Tp = 7.65 K in the β-pyrochlore oxide superconductor KOs2O6 is studied by means of heat capacity, 39K-NMR, and X-ray diffraction measurements using high-quality single crystals. We find evidence of an isomorphic structural transition at Tp without the off-center freezing of the K ion even below Tp. It is possibly related to the rattling motion of the K ion in an oversized atomic cage.

Transmission electron microscopic study of pyrochlore to defect-fluorite transition in rare-earth pyrohafnates

Energy Technology Data Exchange (ETDEWEB)

Karthik, Chinnathambi, E-mail: Karthikchinnathambi@boisestate.edu [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415 (United States); Anderson, Thomas J. [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Gout, Delphine [Oak Ridge National Lab, Neutron Scattering Science Division, Oak Ridge, TN (United States); Ubic, Rick [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415 (United States)

2012-10-15

A structural transition in rare earth pyrohafnates, Ln{sub 2}Hf{sub 2}O{sub 7} (Ln=Y, La, Pr, Nd, Tb, Dy, Yb and Lu), has been identified. Neutron diffraction showed that the structure transforms from well-ordered pyrochloric to fully fluoritic through the lanthanide series from La to Lu with a corresponding increase in the position parameter x of the 48f (Fd3{sup Macron }m) oxygen site from 0.330 to 0.375. As evidenced by the selected area electron diffraction, La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} exhibited a well-ordered pyrocholoric structure with the presence of intense superlattice spots, which became weak and diffuse (in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}) before disappearing completely as the series progressed towards the Lu end. High resolution electron microscopic studies showed the breakdown of the pyrochlore ordering in the form of antiphase domains resulting in diffused smoke-like superlattice spots in the case of Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. - Graphical abstract: Transmission electron microscopic studies showed the ordered pyrochlore to defect fluorite transition in rare-earth pyrohafnates to occur via the formation of anti-phase domains to start with. Highlights: Black-Right-Pointing-Pointer Pyrochlore to fluorite structural transition in rare earth pyrohafnates. Black-Right-Pointing-Pointer La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} showed well ordered pyrochlore structure. Black-Right-Pointing-Pointer Short range ordering in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Break down of pyrochlore ordering due to antiphase boundaries. Black-Right-Pointing-Pointer Rest of the series showed fluoritic structure.

XPS studies of ceramics with pyrochlore structure for radioactive wastes disposal

International Nuclear Information System (INIS)

Teterin, Yu.A.; Vukchevich, L.; Ivanov, K.E.; Utkin, I.O; Teterin, A. Yu.; Maslakov, K.I.; Yudintseva, T.S.; Yudintsev, S.V.; Stefanovsky, S.V.; Lapina, M.I. . E-mail address of corresponding author: vukas@rc.pmf.cg.ac.yu; Vukchevich, L.)

2005-01-01

X-ray photoelectron spectroscopy (XPS) study of ceramics CaThSn 2 O 7 and CaThZr 2 O 7 with pyrochlore structure used as matrixes for the disposal of long lived high level radioactive wastes was done. On the basis of the XPS parameters of the core and outer electrons in the binding energy range 0 - 1000 eV the oxidation states of the included metals were determined, quantitative elemental and ionic analysis was carried out and a conclusion on the monophaseness of the studied samples was drawn. The obtained data agree with the X-ray diffraction and scanning electron microscopy results. (author)

Soft modes in the easy plane pyrochlore antiferromagnet

International Nuclear Information System (INIS)

Champion, J D M; Holdsworth, P C W

2004-01-01

Thermal fluctuations lift the high ground state degeneracy of the classical nearest neighbour pyrochlore antiferromagnet, with easy plane anisotropy, giving a first-order phase transition to a long range ordered state. We show, from spin wave analysis and numerical simulation, that even below this transition a continuous manifold of states, of dimension N 2/3 , exist (N is the number of degrees of freedom). As the temperature goes to zero a further 'order by disorder' selection is made from this manifold. The pyrochlore antiferromagnet Er 2 Ti 2 O 7 is believed to have an easy plane anisotropy and is reported to have the same magnetic structure. This is perhaps surprising, given that the dipole interaction lifts the degeneracy of the classical model in favour of a different structure. We interpret our results in the light of these facts

Yttrium bismuth titanate pyrochlore mixed oxides for photocatalytic hydrogen production

Energy Technology Data Exchange (ETDEWEB)

Merka, Oliver

2012-10-18

In this work, the sol-gel synthesis of new non-stoichiometric pyrochlore titanates and their application in photocatalytic hydrogen production is reported. Visible light response is achieved by introducing bismuth on the A site or by doping the B site by transition metal cations featuring partially filled d orbitals. This work clearly focusses on atomic scale structural changes induced by the systematical introduction of non-stoichiometry in pyrochlore mixed oxides and the resulting influence on the activity in photocatalytic hydrogen production. The materials were characterized in detail regarding their optical properties and their atomic structure. The pyrochlore structure tolerates tremendous stoichiometry variations. The non-stoichiometry in A{sub 2}O{sub 3} rich compositions is compensated by distortions in the cationic sub-lattice for the smaller Y{sup 3+} cation and by evolution of a secondary phase for the larger Bi{sup 3+} cation on the A site. For TiO{sub 2} rich compositions, the non-stoichiometry leads to a special vacancy formation in the A and optionally O' sites. It is shown that pyrochlore mixed oxides in the yttrium bismuth titanate system represent very active and promising materials for photocatalytic hydrogen production, if precisely and carefully tuned. Whereas Y{sub 2}Ti{sub 2}O{sub 7} yields stable hydrogen production rates over time, the bismuth richer compounds of YBiTi{sub 2}O{sub 7} and Bi{sub 2}Ti{sub 2}O{sub 7} are found to be not stable under irradiation. This drawback is overcome by applying a special co-catalyst system consisting of a precious metal core and a Cr{sub 2}O{sub 3} shell on the photocatalysts.

Weyl magnons in breathing pyrochlore antiferromagnets

Science.gov (United States)

Li, Fei-Ye; Li, Yao-Dong; Kim, Yong Baek; Balents, Leon; Yu, Yue; Chen, Gang

2016-01-01

Frustrated quantum magnets not only provide exotic ground states and unusual magnetic structures, but also support unconventional excitations in many cases. Using a physically relevant spin model for a breathing pyrochlore lattice, we discuss the presence of topological linear band crossings of magnons in antiferromagnets. These are the analogues of Weyl fermions in electronic systems, which we dub Weyl magnons. The bulk Weyl magnon implies the presence of chiral magnon surface states forming arcs at finite energy. We argue that such antiferromagnets present a unique example, in which Weyl points can be manipulated in situ in the laboratory by applied fields. We discuss their appearance specifically in the breathing pyrochlore lattice, and give some general discussion of conditions to find Weyl magnons, and how they may be probed experimentally. Our work may inspire a re-examination of the magnetic excitations in many magnetically ordered systems. PMID:27650053

Characterization, Microstructure, and Dielectric properties of cubic pyrochlore structural ceramics

KAUST Repository

Li, Yangyang

2013-05-01

The (BMN) bulk materials were sintered at 1050°C, 1100°C, 1150°C, 1200°C by the conventional ceramic process, and their microstructure and dielectric properties were investigated by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM) (including the X-ray energy dispersive spectrometry EDS and high resolution transmission electron microscopy HRTEM) and dielectric impedance analyzer. We systematically investigated the structure, dielectric properties and voltage tunable property of the ceramics prepared at different sintering temperatures. The XRD patterns demonstrated that the synthesized BMN solid solutions had cubic phase pyrochlore-type structure when sintered at 1050°C or higher, and the lattice parameter (a) of the unit cell in BMN solid solution was calculated to be about 10.56Å. The vibrational peaks observed in the Raman spectra of BMN solid solutions also confirmed the cubic phase pyrochlore-type structure of the synthesized BMN. According to the Scanning Electron Microscope (SEM) images, the grain size increased with increasing sintering temperature. Additionally, it was shown that the densities of the BMN ceramic tablets vary with sintering temperature. The calculated theoretical density for the BMN ceramic tablets sintered at different temperatures is about 6.7521 . The density of the respective measured tablets is usually amounting more than 91% and 5 approaching a maximum value of 96.5% for sintering temperature of 1150°C. The microstructure was investigated by using Scanning Transmission Electron Microscope (STEM), X-ray diffraction (XRD). Combined with the results obtained from the STEM and XRD, the impact of sintering temperature on the macroscopic and microscopic structure was discussed. The relative dielectric constant ( ) and dielectric loss ( ) of the BMN solid solutions were measured to be 161-200 and (at room temperature and 100Hz-1MHz), respectively. The BMN solid

Density Functional Theory Study of Leaching Performance of Different Acids on Pyrochlore (100) Surface

Science.gov (United States)

Yang, Xiuli; Fang, Qing; Ouyang, Hui

2018-06-01

Pyrochlore leaching using hydrofluoric, sulfuric, and hydrochloric acids has been studied via experimental methods for years, but the interactions between niobium atoms on the pyrochlore surface and different acids have not been investigated. In this work, first-principles calculations based on density functional theory were used to elucidate the leaching performance of these three acids from the viewpoint of geometrical and electronic structures. The calculation results indicate that sulfate, chloride, and fluoride anions influence the geometric structure of pyrochlore (100) to different extents, decreasing in the order: sulfate, fluoride, chloride. Orbitals of O1 and O2 atoms of sulfate hybridized with those of surface niobium atom. Fluorine orbitals hybridized with those of surface niobium atoms. However, no obvious overlap exists between any orbitals of chlorine and surface niobium, revealing that chlorine does not interact chemically with surface niobium atoms.

Structural, magnetic, and electronic transport properties of pyrochlore iridate Pr2Ir2O7

Science.gov (United States)

Kumar, Harish; Chaurasia, Rachna; Kumari, Pratibha; Paramanik, A. K.

2018-04-01

We have studied the structural, magnetic, and electronic transport properties of pyrochlore iridate Pr2Ir2O7. Structural investigation has been done using x-ray powder diffraction and Rietveld analysis. Pr2Ir2O7 crystallize in cubic crystallographic phase with Fd-3m space group. Temperature dependent magnetization data does not show magnetic bifurcation down to 2 K. Electrical resistivity data of Pr2Ir2O7 exhibits metallic behavior throughout temperature range. Below 50 K, a small rise in resistivity data of Pr2Ir2O7 is observed down to 12 K.

Crystal chemistry of pyrochlore from the Mesozoic Panda Hill carbonatite deposit, western Tanzania

Science.gov (United States)

Boniface, Nelson

2017-02-01

The Mesozoic Panda Hill carbonatite deposit in western Tanzania hosts pyrochlore, an ore and source of niobium. This study was conducted to establish the contents of radioactive elements (uranium and thorium) in pyrochlore along with the concentration of niobium in the ore. The pyrochlore is mainly hosted in sövite and is structurally controlled by NW-SE (SW dipping) or NE-SW (NW dipping) magmatic flow bands with dip angles of between 60° and 90°. Higher concentrations of pyrochlore are associated with magnetite, apatite and/or phlogopite rich flow bands. Electron microprobe analyses on single crystals of pyrochlore yield very low UO2 concentrations that range between 0 and 0.09 wt% (equivalent to 0 atoms per formula unit: a.p.f.u.) and ThO2 between 0.55 and 1.05 wt% (equivalent to 0.1 a.p.f.u.). The analyses reveal high concentrations of Nb2O5 (ranging between 57.13 and 65.50 wt%, equivalent to a.p.f.u. ranging between 1.33 and 1.43) and therefore the Panda Hill Nb-oxide is classified as pyrochlore sensu stricto. These data point to a non radioactive pyrochlore and a deposit rich in Nb at Panda Hill. The Panda Hill pyrochlore has low concentrations of REEs as displayed by La2O3 that range between 0.10 and 0.49 wt% (equivalent to a.p.f.u. ranging between 0 and 0.01) and Ce2O3 ranging between 0.86 and 1.80 wt% (equivalent to a.p.f.u. ranging between 0.02 and 0.03), Pr2O3 concentrations range between 0 and 0.23 wt% (equivalent to 0 a.p.f.u.), and Y2O3 is 0 wt% (equivalent to 0 a.p.f.u.). The abundance of the REEs in pyroclore at the Panda Hill Carbonatite deposit is of no economic significance.

A spin-frustrated cobalt(II) carbonate pyrochlore network.

Science.gov (United States)

Zheng, Yanzhen; Ellern, Arkady; Kögerler, Paul

2011-11-01

The crystal structure of the cobalt(II) carbonate-based compound cobalt(II) dicarbonate trisodium chloride, Co(CO(3))(2)Na(3)Cl, grown from a water-ethanol mixture, exhibits a three-dimensional network of corner-sharing {Co(4)(μ(3)-CO(3))(4)} tetrahedral building blocks, in which the Co(II) centres define a pyrochlore lattice and reside in a slightly distorted octahedral Co(O-CO(2))(6) environment. The space outside the hexagonal framework defined by these interlinked groups is occupied by Na(+) and Cl(-) ions. Antiferromagnetic coupling between adjacent Co(II) centres, mediated by carbonate bridges, results in geometric spin frustration which is typical for pyrochlore networks. The Co and Cl atoms reside on the special position 3, one Na atom on position 2 and a carbonate C atom on position 3.

Theoretical and experimental investigations of frustrated pyrochlore magnets

International Nuclear Information System (INIS)

Champion, John Dickon Mathison

2001-01-01

This thesis describes the investigation of frustrated magnetic systems based on the pyrochlore lattice of corner-sharing tetrahedra. Monte Carlo simulations and analytical calculations have been performed on a pyrochlore ferromagnet with local (111) easy-axis anisotropy related to the problem of 'spin ice'. The anisotropy-temperature-magnetic field phase diagram was determined. It contained a tricritical point as well as features related to some real ferroelectrics. A pyrochlore antiferromagnet with local (111) easy-plane anisotropy was studied by Monte Carlo simulation. A general expression for its degenerate ground states was discovered and normal- modes out of the ground states were calculated. Both systems are frustrated yet have a long-range ordered state at low temperature. The degeneracy lifting observed is discussed as well as the reasons for its presence. The rare-earth titanate series Ln 2 Ti 2 O 7 (Ln = rare earth), crystallizes in the Fd3-barm space group, with the magnetic ions situated on the 16c sites which constitute the pyrochlore lattice. Crystal-field effects are known to play a significant role in the frustration observed in these compounds. Powder neutron diffraction was performed on gadolinium and erbium titanate. Both systems are frustrated antiferromagnets yet show long-range magnetic order at ∼ 1 K and ∼ 1.2 K respectively. The magnetic structures of both these compounds have been determined by powder neutron diffraction techniques and related to other theoretical results as well as the theoretical results of the author. Further neutron scattering experiments on the 'spin ice' materials Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 are also described. (author)

The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7-δ pyrochlore from DFT calculations and FTIR spectroscopy

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Eurenius, K. E. J.; Rossmeisl, Jan

2012-01-01

A combined density functional theory and Fourier transform infrared spectroscopy study of the structure and specific site preference of protons and hydrides in the pyrochlore Sm1.92Ca0.08Sn2O7-δ is presented. Two protonic sites of particular high stability are identified, both located on O(1......) oxygen atoms closely associated with a Ca dopant. Further, the unexpected presence of Ho hydride defects in undoped, oxygen deficient Sm2Sn2O7 is reported. Finally, the stretching frequencies and relative intensities for these and other sites are calculated. The main features of the Fourier transform...

Steam Reforming of CH4 Using Ni- Substituted Pyrochlore Catalysts

Science.gov (United States)

Haynes, Daniel J.

The steam reforming of methane (SMR) continues to remain an important industrial reaction for large-scale production of H2 as well as synthesis gas mixtures which can be used for the production of useful chemicals (e.g. methanol). Although SMR is a rather mature technology, traditional nickel based catalysts used industrially are subjected to severe temperatures and reaction conditions, which lead to irreversible activity loss through sintering, support collapse, and carbon formation. Pyrochlore-based mixed oxide have been identified as refractory materials that can be modified through the substitution of catalytic metals and other promoting species into the structure to mitigate these issues causing deactivation. For this study, a lanthanum zirconate pyrochlore catalyst was substituted with Ni to determine whether the oxide structure could effectively stabilize the activity of the catalytic metal during the SMR. The effect of different variables including calcination temperature, a comparison of a substituted versus supported Ni pyrochlore catalyst, Ni weight loading, and Sr promotion have been evaluated to determine the location of the Ni in the structure, and their effect on catalytic behavior. It was revealed that the effect of calcination temperature on a 6wt% Ni substituted pyrochlore produced by the Pechini method demonstrated very little Ni was soluble in the pyrochlore lattice. It was further revealed that by XRD, TEM, and atom probe tomography that, despite the metal loading, Ni exsolves from the structure upon crystallization of the pyrochlore at 700°C, and forms NiO at the surface and grain boundaries. An additional separate La2ZrNiO6 perovskite phase also began to form at higher temperatures (>800°C). Increasing calcination temperature was found to lead to slight sintering of the NiO at the surface, which made the NiO more reducible. Meanwhile decreasing the Ni weight loading was found to produce a lower reduction temperature due to the presence of

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln  =  Nd, Gd, Er) at high pressure

Science.gov (United States)

Turner, Katlyn M.; Tracy, Cameron L.; Mao, Wendy L.; Ewing, Rodney C.

2017-12-01

Lanthanide stannate pyrochlores (Ln2Sn2O7; Ln  =  Nd, Gd, and Er) were investigated in situ to 50 GPa in order to determine their structural response to compression and compare their response to that of lanthanide titanate, zirconate, and hafnate pyrochlores. The cation radius ratio of A3+/B4+ in pyrochlore oxides (A2B2O7) is thought to be the dominant feature that influences their response on compression. The ionic radius of Sn4+ is intermediate to that of Ti4+, Zr4+, and Hf4+, but the 〈Sn-O〉 bond in stannate pyrochlore is more covalent than the 〈B-O〉 bonds in titanates, zirconate, and hafnates. In stannates, based on in situ Raman spectroscopy, pyrochlore cation and anion sublattices begin to disorder with the onset of compression, first measured at 0.3 GPa. The extent of sublattice disorder versus pressure is greater in stannates with a smaller Ln3+ cation. Stannate pyrochlores (Fd-3m) begin a sluggish transformation to an orthorhombic, cotunnite-like structure at ~28 GPa similar transitions have been observed in titanate, zirconate, and hafnate pyrochlores at varying pressures (18-40 GPa) with cation radius ratio. The extent of the phase transition versus pressure varies directly with the size of the Ln3+ cation. Post-decompression from ~50 GPa, Er2Sn2O7 and Gd2Sn2O7 adopt a pyrochlore structure, rather than the multi-scale defect-fluorite  +  weberite-type structure adopted by Nd2Sn2O7 that is characteristic of titanate, zirconate, and hafnate pyrochlores under similar conditions. Like pyrochlore titanates, zirconates, and hafnates, the bulk modulus, B 0, of stannates varies linearly and inversely with cation radius ratio from 1 1 1 GPa (Nd2Sn2O7) to 251 GPa (Er2Sn2O7). The trends of bulk moduli in stannates in this study are in excellent agreement with previous experimental studies on stannates and suggest that the size of the Ln3+ cation is the primary determining factor of B 0. Additionally, when normalized to r A

Structural and photoluminescence properties of stannate based displaced pyrochlore-type red phosphors: Ca(3-x)Sn₃Nb₂O₁₄:xEu³⁺.

Science.gov (United States)

Sreena, T S; Prabhakar Rao, P; Francis, T Linda; Raj, Athira K V; Babu, Parvathi S

2015-05-14

New stannate based displaced pyrochlore-type red phosphors, Ca(3-x)Sn3Nb2O14:xEu(3+), were prepared via a conventional solid state method. The influence of partial occupancy of Sn in both A and B sites of the pyrochlore-type oxides on the photoluminescence properties was studied using powder X-ray diffraction, FT-Raman, transmission electron microscopy, scanning electron microscopy with energy dispersive spectrometry, UV-visible absorption spectroscopy, and photoluminescence excitation and emission spectra with lifetime measurements. The structural analysis establishes that these oxides belong to a cubic displaced pyrochlore type structure with a space group Fd3̄m. These phosphors exhibit strong absorptions at near UV and blue wavelength regions and emit intense multiband emissions due to Eu(3+ 5)D0-(7)F(0, 1, 2) transitions. The absence of characteristic MD transition splitting points out that local cation disorder exists in this type of displaced pyrochlores, reducing the D(3d) inversion symmetry, which is not evidenced by such disorder in the X-ray diffraction analysis. The unusual forbidden intense sharp (5)D0-(7)F0 transition indicates single site occupancy of Eu(3+) with a narrower range of bonding environment, preventing the cluster formation. This is supported by the stable (5)D0 lifetime with Eu(3+) concentration. The Judd-Ofelt intensity parameter assessment corroborates these results. The CIE color coordinates of these phosphors were found to be (0.60, 0.40), which are close to the NTSC standard values (0.67, 0.33) for a potential red phosphor.

Thermodynamic stability of actinide pyrochlore minerals in deep geologic repository environments

International Nuclear Information System (INIS)

Wang, YIFENG; Xu, HUIFANG

2000-01-01

Crystalline phases of pyrochlore (e.g., CaPuTi 2 O 7 , CaUTi 2 O 7 ) have been proposed as a durable ceramic waste form for disposal of high level radioactive wastes including surplus weapons-usable plutonium. In this paper, the authors use a linear free energy relationship to predict the Gibbs free energies of formation of pyrochlore phases (CaMTi 2 O 7 ). The Pu-pyrochlore phase is predicted to be stable with respect to PuO 2 , CaTiO 3 , and TiO 2 at room temperatures. Pu-pyrochlore is expected to be stable in a geologic repository where silica and carbonate components are absent or limited. The authors suggest that a repository in a salt formation be an ideal environment for disposal of high level, pyrochlore-based ceramic wastes. In such environment, adding CaO as a backfill will make pyrochlore minerals thermodynamically stable and therefore effectively prevent actinide release from these mineral phases

Pyrochlore type semiconducting ceramic oxides in Ca-Ce-Ti-M-O system (M = Nb or Ta)-Structure, microstructure and electrical properties

International Nuclear Information System (INIS)

Deepa, M.; Prabhakar Rao, P.; Radhakrishnan, A.N.; Sibi, K.S.; Koshy, Peter

2009-01-01

A new series of pyrochlore type ceramic semiconducting oxides in Ca-Ce-Ti-M-O (M = Nb or Ta) system has been synthesized by the conventional ceramic route. The electrical conductivity measurements show that these oxides exhibit semiconducting behavior and the conductivity increases with the Ce content in the compound. Activation energy of the current carriers is in the range of 0.5-1.6 eV. The electrical conductivity in these oxides is due to the presence of Ce 3+ , which remains in the reduced state without being oxidized to Ce 4+ by structural stabilization. The photoluminescence and X-ray photoelectron spectroscopy analysis corroborate the presence of Ce in the 3+ state. Impedance spectral analysis is carried out to evaluate the transport properties and indicates that the conduction in these compounds is mainly due to electronic contribution. The X-ray powder diffraction and Raman spectroscopy analysis establishes that these oxides belong to a cubic pyrochlore type structure.

Pyrochlore type semiconducting ceramic oxides in Ca-Ce-Ti-M-O system (M = Nb or Ta)-Structure, microstructure and electrical properties

Energy Technology Data Exchange (ETDEWEB)

Deepa, M. [Materials and Minerals Division, National Institute for Interdisciplinary Science and Technology (NIIST), Trivandrum 695019 (India); Prabhakar Rao, P., E-mail: padala_rao@yahoo.com [Materials and Minerals Division, National Institute for Interdisciplinary Science and Technology (NIIST), Trivandrum 695019 (India); Radhakrishnan, A.N.; Sibi, K.S.; Koshy, Peter [Materials and Minerals Division, National Institute for Interdisciplinary Science and Technology (NIIST), Trivandrum 695019 (India)

2009-07-01

A new series of pyrochlore type ceramic semiconducting oxides in Ca-Ce-Ti-M-O (M = Nb or Ta) system has been synthesized by the conventional ceramic route. The electrical conductivity measurements show that these oxides exhibit semiconducting behavior and the conductivity increases with the Ce content in the compound. Activation energy of the current carriers is in the range of 0.5-1.6 eV. The electrical conductivity in these oxides is due to the presence of Ce{sup 3+}, which remains in the reduced state without being oxidized to Ce{sup 4+} by structural stabilization. The photoluminescence and X-ray photoelectron spectroscopy analysis corroborate the presence of Ce in the 3+ state. Impedance spectral analysis is carried out to evaluate the transport properties and indicates that the conduction in these compounds is mainly due to electronic contribution. The X-ray powder diffraction and Raman spectroscopy analysis establishes that these oxides belong to a cubic pyrochlore type structure.

Re-examination of the crystal structure of the β-pyrochlore oxide superconductor KOs 2O 6 by X-ray and convergent-beam electron diffraction analyses

Science.gov (United States)

Yamaura, Jun-Ichi; Hiroi, Zenji; Tsuda, Kenji; Izawa, Koichi; Ohishi, Yasuo; Tsutsui, Satoshi

2009-01-01

The crystal structure of the β-pyrochlore oxide superconductor KOs 2O 6 is re-examined. A single-crystal X-ray diffraction (XRD) analysis at room temperature first revealed that the compound crystallizes in a cubic structure with the centrosymmetric space group Fd3¯m, as in conventional pyrochlore oxides. Later, however, Schuck et al. claimed a different non-centrosymmetric F4¯3m structure based on their single-crystal XRD analysis. To unambiguously determine the true crystal structure of KOs 2O 6, we carried out high-resolution synchrotron powder X-ray and convergent-beam electron diffraction measurements at room temperature. The space group was determined with high reliability to be centrosymmetric Fd3¯m, not F4¯3m. This confirms the importance of the K atom location in a high-symmetry site, which causes unusually large rattling of the K atom.

The XPS study of pyrochlore matrixes for the radioactive waste disposal

Directory of Open Access Journals (Sweden)

Teterin Anton Yu.

2010-01-01

Full Text Available Two pyrochlore ceramic samples were studied in this work. The X-ray diffraction and the scanning electron microscopy showed that the ceramics with the calculated composition CaThSn2O7 was formed by the dominating pyrochlore phase with the traces of thorianite and hematite, while the CaThZr2O7 ceramics - by the dominating pyrochlore phase with the minor admixtures of thorianite and perovskite. The real compositions of pyrochlore phases determined by the scaning electron microscopy are Ca0.88Th0.92Sn2O6.72 and Ca0.84Th0.80Zr2O6.44. On the basis of the X-ray photoelectron spectral parameters of the outer and core electrons in the binding energy range of 0-1250 eV it was found that tin, zirconium and thorium in pyrochlore are at least 93%-94% tetravalent. Sn-O and Zr-O interatomic distances in BO6-octahedrons in the pyrochlore were found to be 0.210 nm and 0.220 nm, respectively, and these octahedrons are possible to be tetragonaly distorted.

Experimental hydrothermal alteration of crystalline and radiation-damaged pyrochlore

International Nuclear Information System (INIS)

Geisler, T.; Seydoux-Guillaume, A.-M.; Poeml, P.; Golla-Schindler, U.; Berndt, J.; Wirth, R.; Pollok, K.; Janssen, A.; Putnis, A.

2005-01-01

We have performed hydrothermal experiments with a crystalline microlite and a heavily self-irradiation-damaged (i.e., X-ray amorphous) betafite in a solution containing 1 mol/l HCl and 1 mol/l CaCl 2 at 175 deg. C for 14 days. The well-crystalline microlite grains were partly (∼5-10 μm rim) replaced by a Ca and Na-poorer, defect pyrochlore phase with a larger unit-cell and a sharp chemical gradient at the interface (on a nm scale) to the unreacted core. The amorphous betafite grains (up to ∼2 mm in diameter), on the other hand, were completely transformed into an intergrowth of different crystalline phases (polycrystalline anatase and rutile, a yet unidentified Nb-Ta oxide, and a Y-REE phase), showing complex non-equilibrium structures. Our experimental observations bear a remarkable resemblance to those made on natural samples. They indicate that the processes of the fluid-pyrochlore interaction are influenced by self-irradiation structural damage and that thermodynamic equilibrium models can hardly be applied to adequately describe such systems

Thermal annealing of natural, radiation-damaged pyrochlore

Energy Technology Data Exchange (ETDEWEB)

Zietlow, Peter; Beirau, Tobias; Mihailova, Boriana; Groat, Lee A.; Chudy, Thomas; Shelyug, Anna; Navrotsky, Alexandra; Ewing, Rodney C.; Schlüter, Jochen; Škoda, Radek; Bismayer, Ulrich

2017-01-01

Radiation damage in minerals is caused by the α-decay of incorporated radionuclides, such as U and Th and their decay products. The effect of thermal annealing (400–1000 K) on radiation-damaged pyrochlores has been investigated by Raman scattering, X-ray powder diffraction (XRD), and combined differential scanning calorimetry/thermogravimetry (DSC/TG). The analysis of three natural radiation-damaged pyrochlore samples from Miass/Russia [6.4 wt% Th, 23.1·10

Weyl magnons in pyrochlore antiferromagnets with an all-in-all-out order

Science.gov (United States)

Jian, Shao-Kai; Nie, Wenxing

2018-03-01

We investigate topological magnon band crossings of pyrochlore antiferromagnets with all-in-all-out (AIAO) magnetic order. By general symmetry analysis and spin-wave theory, we show that pyrochlore materials with AIAO orders can host Weyl magnons under external magnetic fields or uniaxial strains. Under a small magnetic field, the magnon bands of the pyrochlore with AIAO background can feature two opposite-charged Weyl points, which is the minimal number of Weyl points realizable in quantum materials, and has not been experimentally observed so far. We further show that breathing pyrochlores with AIAO orders can exhibit Weyl magnons upon uniaxial strains. These findings apply to any pyrochlore material supporting AIAO orders, irrespective of the forms of interactions. Specifically, we show that the Weyl magnons are robust against direct (positive) Dzyaloshinskii-Moriya interactions. Because of the ubiquitous AIAO orders in pyrochlore magnets including R2Ir2O7 , and experimentally achievable external strain and magnetic field, our predictions provide a promising arena to witness the Weyl magnons in quantum magnets.

Emergence of magnetic order in ultra-thin pyrochlore iridate films

Science.gov (United States)

Cheema, Suraj; Serrao, Claudy; Mundy, Julia; Patankar, Shreyas; Birgeneau, Robert; Orenstein, Joseph; Salahuddin, Sayeef; Ramesh, Ramamoorthy

We report on thickness-dependent magnetotransport in (111) - oriented Pb2Ir2O7-x (Pb227) epitaxial thin films. For thicknesses greater than 4 nm, the magnetoresistance (MR) of metallic Pb227 is positive, linear and non-saturated up to 14 T. Meanwhile at 4 nm, the conduction turns nonmetallic and the MR becomes negative and asymmetric upon field-cooling; such traits are reminiscent of all-in-all-out (AIAO) magnetic order in the insulating pyrochlore iridates. Hysteretic low-field MR dips and trained-untrained resistivity bifurcations suggest the presence of magnetic conducting domain walls within the chiral AIAO spin structure. Beyond just AIAO order, angular-dependent MR indicates a magnetic phase space hosting 2-in-2-out (2I2O) spin ice order. Such anomalous magnetotransport calls for re-evaluation of the pyrochlore iridate phase diagram, as epitaxially strained Pb227 exhibits traits reminiscent of both the insulating magnetic and metallic spin-liquid members. Furthermore, these results open avenues for realizing topological phase predictions in (111) - oriented pyrochlore slabs of kagome-triangular iridate heterostructures. This work is supported by the Office of Basic Energy Sciences of the US Department of Energy under Contract No. DE-AC02-05CH11231.

Electronic Structure of the Pyrochlore-Type Ru Oxides through the Metal--Insulator Transition

International Nuclear Information System (INIS)

Okamoto, J.; Fujimori, S.I.; Okane, T.; Fujimori, A.; Abbate, M.; Yoshii, S.; Sato, M.

2003-01-01

The electronic structures of the pyrochlore-type Ru oxides Sm 2-x Ca x Ru 2 O 7 and Sm 2-x Bi x Ru 2 O 7 , which show metal-insulator transition with increasing Ca or Bi concentration, have been studied by ultraviolet photoemission spectroscopy. Spectral changes near the Fermi level are different but reflect the tendency of their transport properties in both systems. The Sm 2-x Ca x Ru 2 O 7 system shows an energy shift, which is expected from the increase of hole in the Ru 4d t 2g band and the Sm 2 - x Bi x Ru 2 O 7 system shows spectral weight transfer within the Ru 4d t 2g band, which is expected to be observed in bandwidth-control Mott-Hubbard system. (author)

Tunable Magnon Weyl Points in Ferromagnetic Pyrochlores.

Science.gov (United States)

Mook, Alexander; Henk, Jürgen; Mertig, Ingrid

2016-10-07

The dispersion relations of magnons in ferromagnetic pyrochlores with Dzyaloshinskii-Moriya interaction are shown to possess Weyl points, i. e., pairs of topologically nontrivial crossings of two magnon branches with opposite topological charge. As a consequence of their topological nature, their projections onto a surface are connected by magnon arcs, thereby resembling closely Fermi arcs of electronic Weyl semimetals. On top of this, the positions of the Weyl points in reciprocal space can be tuned widely by an external magnetic field: rotated within the surface plane, the Weyl points and magnon arcs are rotated as well; tilting the magnetic field out of plane shifts the Weyl points toward the center Γ[over ¯] of the surface Brillouin zone. The theory is valid for the class of ferromagnetic pyrochlores, i. e., three-dimensional extensions of topological magnon insulators on kagome lattices. In this Letter, we focus on the (111) surface, identify candidates of established ferromagnetic pyrochlores which apply to the considered spin model, and suggest experiments for the detection of the topological features.

Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb{sub 2}Mo{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Jiang, Yu; Huq, Ashfia; Booth, Corwin H.; Ehlers, Georg; Greedan, John E.; Gardner, Jason S.

2011-02-11

To understand the origin of the spin-glass state in molybdate pyrochlores, the structure of Tb{sub 2}Mo{sub 2}O{sub 7} is investigated using two techniques: the long-range lattice structure was measured using neutron powder diffraction (NPD), and local structure information was obtained from the extended x-ray absorption fine structure (EXAFS) technique. While the long-range structure appears generally well ordered, enhanced mean-squared site displacements on the O(1) site and the lack of temperature dependence of the strongly anisotropic displacement parameters for both the Mo and O(1) sites indicate some disorder exists. Likewise, the local structure measurements indicate some Mo-Mo and Tb-O(1) nearest-neighbor disorder exists, similar to that found in the related spin-glass pyrochlore, Y{sub 2}Mo{sub 2}O{sub 7}. Although the freezing temperature in Tb{sub 2}Mo{sub 2}O{sub 7}, 25 K, is slightly higher than in Y{sub 2}Mo{sub 2}O{sub 7}, 22 K, the degree of local pair distance disorder is actually less in Tb{sub 2}Mo{sub 2}O{sub 7}. This apparent contradiction is considered in light of the interactions involved in the freezing process.

Strain engineered pyrochlore at high pressure

Energy Technology Data Exchange (ETDEWEB)

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; Fuentes, Antonio F.; Park, Changyong; Ewing, Rodney C.; Mao, Wendy L.

2017-05-22

Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy₂Ti₂O₇ and Dy₂Zr₂O₇. Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defects in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy₂Zr₂O₇, and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy₂Zr₂O₇. These improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.

Large-scale calculation of ferromagnetic spin systems on the pyrochlore lattice

Energy Technology Data Exchange (ETDEWEB)

Soldatov, Konstantin, E-mail: soldatov_ks@students.dvfu.ru [School of Natural Sciences, Far Eastern Federal University, Vladivostok (Russian Federation); Nefedev, Konstantin, E-mail: nefedev.kv@dvfu.ru [School of Natural Sciences, Far Eastern Federal University, Vladivostok (Russian Federation); Institute of Applied Mathematics, Far Eastern Branch, Russian Academy of Science, Vladivostok (Russian Federation); Komura, Yukihiro [CIJ-solutions, Chuo-ku, Tokyo 103-0023 (Japan); Okabe, Yutaka, E-mail: okabe@phys.se.tmu.ac.jp [Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan)

2017-02-19

We perform the high-performance computation of the ferromagnetic Ising model on the pyrochlore lattice. We determine the critical temperature accurately based on the finite-size scaling of the Binder ratio. Comparing with the data on the simple cubic lattice, we argue the universal finite-size scaling. We also calculate the classical XY model and the classical Heisenberg model on the pyrochlore lattice. - Highlights: • Calculations of the ferromagnetic models on the pyrochlore lattice were performed. • Precise critical temperatures were determined using Binder ratio finite-size scaling. • The universal finite-size scaling was argued.

High-Performance Pyrochlore-Type Yttrium Ruthenate Electrocatalyst for Oxygen Evolution Reaction in Acidic Media

Energy Technology Data Exchange (ETDEWEB)

Kim, Jaemin [Department; Shih, Pei-Chieh [Department; Tsao, Kai-Chieh [Department; Pan, Yung-Tin [Department; Yin, Xi [Department; Sun, Cheng-Jun [X-ray; Yang, Hong [Department

2017-08-17

Development of acid-stable electrocatalysts with low overpotential for oxygen evolution reaction (OER) is a major challenge for the production of hydrogen directly from water. We report in this paper a pyrochlore yttrium ruthenate (Y2Ru2O7-δ) electrocatalyst that has significantly enhanced performance towards OER in acid media over the best-known catalysts, with an onset overpotential of 190 mV and high stability in 0.1-M perchloric acid solution. X-ray absorption near-edge structure (XANES) indicates Y2Ru2O7-δ electrocatalyst had a low valence state that favors the high OER activity. Density functional theory (DFT) calculation shows this pyrochlore has lower band center energy for the overlap between Ru 4d and O 2p orbitals and therefore more stable Ru-O bond than RuO2, highlighting the effect of yttrium on the enhancement in stability. The Y2Ru2O7-δ pyrochlore is also free of expensive iridium metal, thus a cost-effective candidate for practical applications.

Investigation of structural and electrical properties of vanadium substituted disordered pyrochlore-type Ho{sub 2−x}V{sub x}Zr{sub 2}O{sub 7} nanostructure

Energy Technology Data Exchange (ETDEWEB)

Karamat, Nazia, E-mail: naziakaramatgoraya@yahoo.com [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Ashiq, Muhammad Naeem, E-mail: naeemashiqqau@yahoo.com [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Najam-ul-Haq, Muhammad [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan); Ali, Irshad; Iqbal, M. Asif; Irfan, Muhammad [Department of Physics, Bahauddin Zakariya University, Multan (Pakistan); Abbas, Yasir; Athar, Muhammad [Institute of Chemical Sciences, Bahauddin Zakariya University, Multan (Pakistan)

2014-04-01

Graphical abstract: - Highlights: • Normal microemulsion method has been used for the synthesis of zirconates nanomaterials. • Structure shifted towards highly disordered pyrochlore state with substitution. • The electrical resistivity increase with the vanadium content. • The dielectric constant show resonance behavior. • The synthesized materials are suitable for microwave devices. - Abstract: Disordered pyrochlore system with composition Ho{sub 2−x}V{sub x}Zr{sub 2}O{sub 7} (where x = 0, 0.25, 0.50, 0.75 and 1) has been synthesized by the normal microemulsion route to examine the effect of vanadium substitution on structural and electrical properties. The prepared compounds are characterized by several techniques including X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, energy dispersive X-ray fluorescence (ED-XRF), energy dispersive spectra (EDS), scanning electron microscopy (SEM), temperature dependent electrical and frequency dependent dielectric measurements. The XRD analysis confirms the formation of disordered pyrochlore phase with crystallite size 7–30 nm while a second phase is also observed in the highly substituted materials. The increase in resistivity is attributed to the removal of low energy pathway due to cation disordering. The dielectric constant decreases due to lowering of dipole moment with substitution and its resonance behavior shifted toward higher frequencies. The electrical and dielectric measurements suggest that materials are suitable for high frequency electronic devices, such as oscillators, resonators and frequency filters.

Aspects of reduction clorination of pyrochlore concentrates

International Nuclear Information System (INIS)

Gameiro, D.H.; Brocchi, E.A.

1985-01-01

Reduction chlorination experiments were carried out with two different Brazilian pyrochlore concentrates in order to evaluate the effects of some variables on the extent of niobium pentoxide gaseification as well as to compare the behavior of concentrate under the same chlorination conditions. The pyrochlore concentrates from Araxa (MG) and Catalao (GO), Brazil, were submitted to X ray diffraction and X ray fluorescence analysis for determining their chemical compositions. Kinetic curves were obtained with the main variables being temperature and percentage of reducing agent. Analysis of the condensed material in terms of Nb 2 O 5 indicated that chlorination can be used to produce niobium pentoxide. (Author) [pt

Ceramic Single Phase High-Level Nuclear Waste Forms: Hollandite, Perovskite, and Pyrochlore

Science.gov (United States)

Vetter, M.; Wang, J.

2017-12-01

The lack of viable options for the safe, reliable, and long-term storage of nuclear waste is one of the primary roadblocks of nuclear energy's sustainable future. The method being researched is the incorporation and immobilization of harmful radionuclides (Cs, Sr, Actinides, and Lanthanides) into the structure of glasses and ceramics. Borosilicate glasses are the main waste form that is accepted and used by today's nuclear industry, but they aren't the most efficient in terms of waste loading, and durability is still not fully understood. Synroc-phase ceramics (i.e. hollandite, perovskite, pyrochlore, zirconolite) have many attractive qualities that glass waste forms do not: high waste loading, moderate thermal expansion and conductivity, high chemical durability, and high radiation stability. The only downside to ceramics is that they are more complex to process than glass. New compositions can be discovered by using an Artificial Neural Network (ANN) to have more options to optimize the composition, loading for performance by analyzing the non-linear relationships between ionic radii, electronegativity, channel size, and a mineral's ability to incorporate radionuclides into its structure. Cesium can be incorporated into hollandite's A-site, while pyrochlore and perovskite can incorporate actinides and lanthanides into their A-site. The ANN is used to predict new compositions based on hollandite's channel size, as well as the A-O bond distances of pyrochlore and perovskite, and determine which ions can be incorporated. These new compositions will provide more options for more experiments to potentially improve chemical and thermodynamic properties, as well as increased waste loading capabilities.

Hydrothermal synthesis of electrode materials pyrochlore tungsten trioxide film

Science.gov (United States)

Guo, Jingdong; Li, Yingjeng James; Stanley Whittingham, M.

Hydrothermal synthesis methods have been successfully used to prepare new transition-metal oxides for cathodes in electrochemical devices such as lithium batteries and electrochromic windows. The tungsten oxides were the first studied, but the method has been extended to the oxides of molybdenum, vanadium and manganese. Sodium tungsten oxide films with the pyrochlore structure have been prepared on gold/alumina and indium-doped tin oxide substrates. These films reversibly and rapidly intercalate lithium and hydrogen ions.

Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate

KAUST Repository

Noureldine, Dalal; Lardhi, Sheikha F.; Ziani, Ahmed; Harb, Moussab; Cavallo, Luigi; Takanabe, Kazuhiro

2015-01-01

A combination of experimental and computational methods was applied to investigate the crystal structure and optoelectronic properties of the non-stoichiometric pyrochlore Bi2−xTi2O7−1.5x. The detailed experimental protocol for both powder and thin

Energetics of stepwise disordering transformation in pyrochlores, RE2Ti2O7 (RE = Y, Gd and Dy)

International Nuclear Information System (INIS)

Hayun, Shmuel; Tran, Tien B.; Lian, Jie; Fuentes, Antonio F.; Navrotsky, Alexandra

2012-01-01

Graphical abstract: The transformation from disordered to more order state in the pyrochlore system go through multiple energetics steps; the cation sublattice rearrangement is control by the diffusion of the cations while the anion sublattice display an irreversible transformation from a disordered to a higher-ordered state via diffusionless transformation. - Abstract: The capacity to incorporate actinide cations makes pyrochlore titanates first-choice phases in titanate-based waste form ceramics. Despite broad interest in the pyrochlore order–disorder transformation due to the cumulative effects of 238 U, 235 U and 232 Th radioactive decay and their daughter products, only limited thermodynamic data, mainly based on simulations of ion-beam irradiation experiments, have been reported. In this work, for the first time, heavily disordered pyrochlores, RE 2 Ti 2 O 7 (RE = Y, Gd and Dy), from mechanical milling of their constituent oxides, were thermochemically investigated. Two types of thermal events were identified using high-temperature differential scanning calorimetry and correlated to the structural disorder in the cation and anion sublattices. Moreover, the excess formation energy measured by oxide melt solution calorimetry shows that the smaller the ionic radius of the RE, the easier it is to remove damage domains.

Synthesis, crystal structure, and magnetic properties of pyrochlore-type Eu{sub 2}Ta{sub 2}(O,N){sub 7+δ}

Energy Technology Data Exchange (ETDEWEB)

Anke, Bjoern; Hund, Sophie; Lorent, Christian; Lerch, Martin [Institut fuer Chemie, Technische Universitaet Berlin (Germany); Janka, Oliver; Block, Theresa; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany)

2017-12-13

Pyrochlore-type Eu{sub 2}Ta{sub 2}(O,N){sub 7+δ} phases were prepared by reaction of ammonia with an amorphous europium tantalum oxide precursor. {sup 151}Eu Moessbauer and EPR spectroscopy as well as magnetic susceptibility measurements point to the presence of exclusively Eu{sup 3+}. For phase-pure samples (X-ray powder diffraction), the nitrogen content varies between 1.0 and 1.8 wt %, leading to compositions in the range Eu{sub 2}Ta{sub 2}O{sub 7.1}N{sub 0.6} - Eu{sub 2}Ta{sub 2}O{sub 6.5}N{sub 1.0}. Pyrochlore-type phases are structurally derived from the fluorite type with 1/8 of the anions missing, resulting in an ideal composition A{sub 2}B{sub 2}X{sub 7}. In Eu{sub 2}Ta{sub 2}(O,N){sub 7+δ} the excess anions partly occupy these vacancies. The prepared phases are colorless with a direct optical bandgap of 4.3 eV and they show the typical Van Vleck paramagnetic behavior known for trivalent Eu atoms. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis, crystal structure and luminescent properties of a new pyrochlore type tungstate CsGa0.333W1.667O6

Science.gov (United States)

Zhao, Dan; Zhao, Ji; Fan, Yun-Chang; Ma, Zhao; Zhang, Rui-Juan; Liu, Bao-Zhong

2018-06-01

High temperature solution reaction leads to a new tungstate compound CsGa0.333W1.667O6, whose structure was determined by single-crystal X-ray diffraction analysis. The results show that it crystallizes in pyrochlore structure with cubic space group Fd-3m and a = 10.2529 (13) Å. In this structure, Ga and W atoms are in a statistical disorder manner. The self-activated luminescent properties CsGa0.333W1.667O6 were studied. Under the excitation of 323 nm, the emission spectrum exhibits a blue emission centered at 466 nm with the chromaticity coordinates (0.1838, 0.1814).

Novel rattling of K atoms in aluminium-doped defect pyrochlore tungstate

International Nuclear Information System (INIS)

Shoko, Elvis; Kearley, Gordon J; Peterson, Vanessa K; Thorogood, Gordon J; Mutka, Hannu; Koza, Michael M; Yamaura, Jun-ichi; Hiroi, Zenji

2014-01-01

Rattling dynamics have been identified as fundamental to superconductivity in defect pyrochlore osmates and aluminium vanadium intermetallics, as well as low thermal conductivity in clathrates and filled skutterudites. Combining inelastic neutron scattering (INS) measurements and ab initio molecular dynamics (MD) simulations, we use a new approach to investigate rattling in the Al-doped defect pyrochlore tungstates: AAl 0.33 W 1.67 O 6 (A = K, Rb, Cs). We find that although all the alkali metals rattle, the rattling of the K atoms is unique, not only among the tungstates but also among the analogous defect osmates, KOs 2 O 6 and RbOs 2 O 6 . Detailed analysis of the MD trajectories reveals that two unique features set the K dynamics apart from the rest, namely, (1) quasi one-dimensional local diffusion within a cage, and (2) vibration at a range of frequencies. The local diffusion is driven by strongly anharmonic local potentials around the K atoms exhibiting a double-well structure in the direction of maximum displacement, which is also the direction of local diffusion. On the other hand, vibration at a range of frequencies is a consequence of the strong anisotropy in the local potentials around the K atoms as revealed by directional magnitude spectra. We present evidence to show that it is the smaller size rather than the smaller mass of the K rattler which leads to the unusual dynamics. Finally, we suggest that the occurrence of local diffusion and vibration at a range of frequencies in the dynamics of a single rattler, as found here for the K atoms, may open new possibilities for phonon engineering in thermoelectric materials. (paper)

Structural order parameter in the pyrochlore superconductor Cd sub 2 Re sub 2 O sub 7

CERN Document Server

Sergienko, I A

2003-01-01

It is shown that both structural phase transitions in Cd sub 2 Re sub 2 O sub 7 , which occur at T sub s sub 1 = 200 K and T sub s sub 2 = 120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode. The primary structural order parameter transforms according to the irreducible representation E sub u of the point group O sub h. We argue that the transition at T sub s sub 1 may be of the second order, in accordance with experimental data. We obtain the phase diagram in the space of phenomenological parameters and propose a thermodynamic path that Cd sub 2 Re sub 2 O sub 7 follows upon cooling. Coupling of the itinerant electronic system and localized spin states in pyrochlores and spinels to atomic displacements are discussed. (author)

Odd-parity magnetoresistance in pyrochlore iridate thin films with broken time-reversal symmetry

Science.gov (United States)

Fujita, T. C.; Kozuka, Y.; Uchida, M.; Tsukazaki, A.; Arima, T.; Kawasaki, M.

2015-01-01

A new class of materials termed topological insulators have been intensively investigated due to their unique Dirac surface state carrying dissipationless edge spin currents. Recently, it has been theoretically proposed that the three dimensional analogue of this type of band structure, the Weyl Semimetal phase, is materialized in pyrochlore oxides with strong spin-orbit coupling, accompanied by all-in-all-out spin ordering. Here, we report on the fabrication and magnetotransport of Eu2Ir2O7 single crystalline thin films. We reveal that one of the two degenerate all-in-all-out domain structures, which are connected by time-reversal operation, can be selectively formed by the polarity of the cooling magnetic field. Once formed, the domain is robust against an oppositely polarised magnetic field, as evidenced by an unusual odd field dependent term in the magnetoresistance and an anomalous term in the Hall resistance. Our findings pave the way for exploring the predicted novel quantum transport phenomenon at the surfaces/interfaces or magnetic domain walls of pyrochlore iridates. PMID:25959576

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

International Nuclear Information System (INIS)

Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.

2017-01-01

In this paper, we use molecular dynamics simulations to investigate the role of grain boundaries (GBs) on ionic diffusion in pyrochlores, as a function of the GB type, chemistry of the compound, and level of cation disorder. We observe that the presence of GBs promotes oxygen transport in ordered and low-disordered systems, as the GBs are found to have a higher concentration of mobile carriers with higher mobilities than in the bulk. Thus, in ordered samples, the ionic diffusion is 2D, localized along the grain boundary. When cation disorder is introduced, bulk carriers begin to contribute to the overall diffusion, while the GB contribution is only slightly enhanced. In highly disordered samples, the diffusive behavior at the GBs is bulk-like, and the two contributions (bulk vs. GB) can no longer be distinguished. There is thus a transition from 2D/GB dominated oxygen diffusivity to 3D/bulk dominated diffusivity versus disorder in pyrochlores. Finally, these results provide new insights into the possibility of using internal interfaces to enhance ionic conductivity in nanostructured complex oxides.

Superconducting and Structural Transitions in the β-Pyrochlore Oxide KOs2O6 under High Pressure

Science.gov (United States)

Ogusu, Hiroki; Takeshita, Nao; Izawa, Koichi; Yamaura, Jun-ichi; Ohishi, Yasuo; Tsutsui, Satoshi; Okamoto, Yoshihiko; Hiroi, Zenji

2010-11-01

Rattling-induced superconductivity in the β-pyrochlore oxide KOs2O6 is investigated under high pressure up to 5 GPa. Resistivity measurements in a high-quality single crystal reveal a gradual decrease in the superconducting transition temperature Tc from 9.7 K at 1.0 GPa to 6.5 K at 3.5 GPa, followed by a sudden drop to 3.3 K at 3.6 GPa. Powder X-ray diffraction experiments show a structural transition from cubic to monoclinic or triclinic at a similar pressure. The sudden drop in Tc is ascribed to this structural transition, by which an enhancement in Tc due to a strong electron-rattler interaction present in the low-pressure cubic phase is abrogated as the rattling of the K ion is completely suppressed or weakened in the high-pressure phase of reduced symmetry. In addition, we find two anomalies in the temperature dependence of resistivity in the low-pressure phase, which may be due to subtle changes in rattling vibration.

George E. Valley, Jr. Prize Talk: Quantum Frustrated Magnetism and its Expression in the Ground State Selection of Pyrochlore Magnets

Science.gov (United States)

Ross, Kate

In the search for novel quantum states of matter, such as highly entangled Quantum Spin Liquids, ``geometrically frustrated'' magnetic lattices are essential for suppressing conventional magnetic order. In three dimensions, the pyrochlore lattice is the canonical frustrated geometry. Magnetic materials with pyrochlore structures have the potential to realize unusual phases such as ``quantum spin ice'', which is predicted to host emergent magnetic monopoles, electrons, and photons as its fundamental excitations. Even in pyrochlores that form long range ordered phases, this often occurs through unusual routes such as ``order by disorder'', in which the fluctuation spectrum dictates the preferred ordered state. The rare earth-based pyrochlore series R2Ti2O7 provides a fascinating variety of magnetic ground states. I will introduce the general anisotropic interaction Hamiltonian that has been successfully used to describe several materials in this series. Using inelastic neutron scattering, the relevant anisotropic interaction strengths can be extracted quantitatively. I will discuss this approach, and its application to two rare earth pyrochlore materials, Er2Ti2O7 and Yb2Ti<2O7, whose ground state properties have long been enigmatic. From these studies, ErTi2O7 and Yb2Ti2O7 have been suggested to be realizations of "quantum order by disorder" and "quantum spin ice", respectively. This research was supported by NSERC of Canada and the National Science Foundation.

Synthesis and characterization of bismuth zinc niobate pyrochlore nanopowders

Directory of Open Access Journals (Sweden)

Sonia Maria Zanetti

2007-09-01

Full Text Available Bismuth zinc niobate pyrochlores Bi1.5ZnNb1.5O7 (alpha-BZN, and Bi2(Zn1/3Nb2/32O 7 (beta-BZN have been synthesized by chemical method based on the polymeric precursors. The pyrochlore phase was investigated by differential scanning calorimetry, infrared spectroscopy, and X ray diffraction. Powder and sintered pellets morphology was examined by scanning electron microscopy. The study of alpha-BZN phase formation reveals that, at 500 °C, the pyrochlore phase was already present while a single-phased nanopowder was obtained after calcination at 700 °C. The crystallization mechanism of the beta-BZN is quite different, occurring through the crystallization of alpha-BZN and BiNbO4 intermediary phases. Both compositions yielded soft agglomerated powders. alpha-BZN pellets, sintered at 800 °C for 2 hours, presented a relative density of 97.3% while those of beta-BZN, sintered at 900 °C for 2 hours, reached only 91.8%. Dielectric constant and dielectric loss, measured at 1 MHz, were 150 and 4 x/10-4 for a-BZN, and 97 and 8 x 10-4 for beta-BZN.

Multifunctional Sm2-xDyxZr2O7 pyrochlore system: potential ionic conductors and photocatalysts

International Nuclear Information System (INIS)

Grover, V.; Sayed, Farheen N.; Bhattacharyya, K.; Jain, D.; Pillai, C.G.S.; Tyagi, A.K.; Arya, A.

2010-01-01

Full text: Pyrochlores have garnered considerable interest over the years because of a range of potentially useful properties such as fast-ion (mainly anion) conductivity, electrical conductivity, catalysis, luminescence etc. In present work a series of Sm 2-x Dy x Zr 2 O 7 compounds (0.0 ≤ x ≤ 2.0) were synthesized by gel combustion and characterized by Powder XRD and Raman spectroscopic studies. XRD studies revealed the system to be single-phasic throughout with the retention of pyrochlore phase till 40 mol% of Dy 3+ beyond which, an order-disorder phase transition occurred resulting in a defect fluorite structure. Surprisingly, Raman studies showed the retention of pyrochlore type ordering till the other end member, i.e. Dy 2 Zr 2 O 7 . This is the first study, which reports the retention of a weak pyrochlore type superstructure in Dy 2 Zr 2 O 7 system. Ionic conductivity measurements were performed on these samples, which showed that the activation Energy (E a ) increases with increase in Dy 3+ mol% owing to the decreased mobility with increasing degree of disorder. The representative nquist Plots are given for Sm 2 Zr 2 O 7 . These materials have a definite band gap absorbing mainly in the UV region which makes them good candidates for photocatalysed dye degradation studies. Potential of some of these compositions as photocatalysts was also explored and they were found to efficiently catalyse the degradation of Xylenol Orange with t 1/2 decreasing from pure Sm 2 Zr 2 O 7 to pure Dy 2 Zr 2 O 7

Many-Body Theory of Pyrochlore Iridates and Related Materials

Science.gov (United States)

Wang, Runzhi

perform combined density functional plus dynamical mean-field calculations in Lu2Ir2O7, Y2Ir2O 7, Eu2Ir2O7, with spin-orbit coupling included and both single-site and cluster approximations appiled. A broad range of Weyl metal is predicted as the intervening phase in the metal-insulator transition. By comparing to experiments, we find that the single-site approximation fails to predict the gap values and substantial difference between the Y and Eu-compound, demonstrating the inadequacy of this approximation and indicating the key role played by the intersite effects. Finally, we provide a more accurate description of the vicinity of the metal-insulator and topological transitions implied by density functional plus cluster dynamical mean-field calculations of pyrochlore iridates. We find definitive evidence of the Weyl semimetal phase, the electronic structure of which can be approximately described as ``Weyl rings" with an extremely flat dispersion of one of the Weyl bands. This Weyl semimetal phase is further investigated by the k • p analysis fitting to the numerical results. We find that this unusual structure leads to interesting behavior in the optical conductivity including a Hall effect in the interband component, and to an enhanced susceptibility.

Exchange interactions in two-state systems: rare earth pyrochlores

Science.gov (United States)

Curnoe, S. H.

2018-06-01

The general form of the nearest neighbour exchange interaction for rare earth pyrochlores is derived based on symmetry. Generally, the rare earth angular momentum degeneracy is lifted by the crystal electric field (CEF) into singlets and doublets. When the CEF ground state is a doublet that is well-separated from the first excited state the CEF ground state doublet can be treated as a pseudo-spin of some kind. The general form of the nearest neighbour exchange interaction for pseudo-spins on the pyrochlore lattice is derived for three different types of pseudo-spins. The methodology presented in this paper can be applied to other two-state spin systems with a high space group symmetry.

Preparation and characterization of bismuth ruthenate pyrochlore via solid state reaction and sol-gel methods

Directory of Open Access Journals (Sweden)

Mayuree Sansernnivet

2010-01-01

Full Text Available Bismuth ruthenate pyrochlores, potential cathode materials for intermediate temperature solid oxide fuel cells(ITSOFCs, were prepared via solid-state and sol-gel method. Effects of the preparation routes and conditions on the phase and microstructures of the materials were investigated in this study using XRD and SEM. The study showed that the preparation method and the adding sequence of the starting meterials have a significant effect on the crystal phase and the particle size obtained. Sol-gel synthesis could yield a material with only pyrochlore structure, i.e. Bi2Ru2O7, while the solid state method yielded powder with a small amount of the secondary RuO2 phase. The sol-gel synthesis resulted in materialswith a finer particle size (~0.3-1.0 μm compared to powder synthesized via the solid state reaction method.

Atomic-scale microstructures, Raman spectra and dielectric properties of cubic pyrochlore-typed Bi1.5MgNb1.5O7 dielectric ceramics

KAUST Repository

Li, Yangyang

2014-07-01

Single-phase cubic pyrochlore-typed Bi1.5MgNb 1.5O7 (BMN) dielectric ceramics were synthesized at temperatures of 1050-1200 °C by solid-state reaction method. Their atomic-scale microstructures and dielectric properties were investigated. X-ray diffraction patterns revealed that the BMN ceramics had an average cubic pyrochlore structure, whereas the Raman spectra indicated that they had an essentially cubic symmetry with small local deviations at the A and O\\' sites of the cubic pyrochlore structure. This was confirmed by selected electron area diffraction (SAED) patterns, where the reflections of {442} (not allowed in the cubic pyrochlore with Fd3̄m symmetry) were clearly observed. SEM and TEM images revealed that the average grain size was increased with the sintering temperature, and an un-homogeneous grain growth was observed at high temperatures. HRTEM images and SAED patterns revealed the single-crystalline nature of the BMN ceramic grains. Energy dispersive spectroscopy (EDS) elemental mapping studies indicated that the compositional distributions of Bi, Mg, Nb and O elements in the ceramic grains were homogenous, and no elemental precipitation was observed at the grain boundary. Quantitative EDS data on ceramic grains revealed the expected cationic stoichiometry based on the initial composition of Bi1.5MgNb1.5O7. Dielectric constants of all the BMN samples exhibited almost frequency independent characteristic in the frequency range of 102-106 Hz, and the highest value was 195 for the BMN ceramics sintered at sintered at 1150 °C with the highest bulk density. The dielectric losses were stable and less than 0.002 in the frequency range of 102-105 Hz. The high dielectric constants of the present BMN samples can be ascribed to the local atomic deviations at the A and O\\' sites from the ideal atomic positions of the pyrochlore structure, which affect the different polarization mechanisms in the BMN ceramics, and which in turn enhance the dielectric

Atomic-scale microstructures, Raman spectra and dielectric properties of cubic pyrochlore-typed Bi1.5MgNb1.5O7 dielectric ceramics

KAUST Repository

Li, Yangyang; Zhu, Xinhua; Al-Kassab, Talaat

2014-01-01

Single-phase cubic pyrochlore-typed Bi1.5MgNb 1.5O7 (BMN) dielectric ceramics were synthesized at temperatures of 1050-1200 °C by solid-state reaction method. Their atomic-scale microstructures and dielectric properties were investigated. X-ray diffraction patterns revealed that the BMN ceramics had an average cubic pyrochlore structure, whereas the Raman spectra indicated that they had an essentially cubic symmetry with small local deviations at the A and O' sites of the cubic pyrochlore structure. This was confirmed by selected electron area diffraction (SAED) patterns, where the reflections of {442} (not allowed in the cubic pyrochlore with Fd3̄m symmetry) were clearly observed. SEM and TEM images revealed that the average grain size was increased with the sintering temperature, and an un-homogeneous grain growth was observed at high temperatures. HRTEM images and SAED patterns revealed the single-crystalline nature of the BMN ceramic grains. Energy dispersive spectroscopy (EDS) elemental mapping studies indicated that the compositional distributions of Bi, Mg, Nb and O elements in the ceramic grains were homogenous, and no elemental precipitation was observed at the grain boundary. Quantitative EDS data on ceramic grains revealed the expected cationic stoichiometry based on the initial composition of Bi1.5MgNb1.5O7. Dielectric constants of all the BMN samples exhibited almost frequency independent characteristic in the frequency range of 102-106 Hz, and the highest value was 195 for the BMN ceramics sintered at sintered at 1150 °C with the highest bulk density. The dielectric losses were stable and less than 0.002 in the frequency range of 102-105 Hz. The high dielectric constants of the present BMN samples can be ascribed to the local atomic deviations at the A and O' sites from the ideal atomic positions of the pyrochlore structure, which affect the different polarization mechanisms in the BMN ceramics, and which in turn enhance the dielectric constants of

Order-disorder phase transformations in quaternary pyrochlore oxide system: Investigated by X-ray diffraction, transmission electron microscopy and Raman spectroscopic techniques

International Nuclear Information System (INIS)

Radhakrishnan, A.N.; Prabhakar Rao, P.; Sibi, K.S.; Deepa, M.; Koshy, Peter

2009-01-01

Order-disorder transformations in a quaternary pyrochlore oxide system, Ca-Y-Zr-Ta-O, were studied by powder X-ray diffraction (XRD) method, transmission electron microscope (TEM) and FT-NIR Raman spectroscopic techniques. The solid solutions in different ratios, 4:1, 2:1, 1:1, 1:2, 1:4, 1:6, of CaTaO 3.5 and YZrO 3.5 were prepared by the conventional high temperature ceramic route. The XRD results and Rietveld analysis revealed that the crystal structure changed from an ordered pyrochlore structure to a disordered defect fluorite structure as the ratios of the solid solutions of CaTaO 3.5 and YZrO 3.5 were changed from 4:1 to 1:4. This structural transformation in the present system is attributed to the lowering of the average cation radius ratio, r A /r B as a result of progressive and simultaneous substitution of larger cation Ca 2+ for Y 3+ at A sites and smaller cation Ta 5+ for Zr 4+ at B sites. Raman spectroscopy and TEM analysis corroborated the XRD results. - Graphical abstract: Selected area electron diffraction (SAED) patterns showed highly ordered diffraction maxima with characteristic superlattice weak diffraction spots of the pyrochlore structure for (a) Ca 0.6 7Y 1.33 Zr 1.33 Ta 0.33 O 7 (C2YZT2) and bright diffraction maxima arranged in a ring pattern of the fluorite structure for (b) Ca 0.29 7Y 1.71 Zr 1.71 Ta 0.29 O 7 (CY6Z6T).

High-pressure effects on the superconductivity of β-pyrochlore oxides AOs2O6

International Nuclear Information System (INIS)

Muramatsu, Takaki; Takeshita, Nao; Terakura, Chikeko; Takagi, Hidenori; Tokura, Yoshinori; Yonezawa, Shigeki; Muraoka, Yuji; Hiroi, Zenji

2006-01-01

High-pressure effects on the superconducting transitions of β-pyrochlore oxide superconductors AOs 2 O 6 (A=Cs, Rb, K) are studied by measuring resistivity under high pressures up to 16 GPa. The superconducting transition temperature T c first increases with increasing pressure in all the compounds and then exhibits a broad maximum at 7.6 K (6 GPa), 8.2 K (2 GPa) and 10 K (0.6 GPa) for A=Cs, Rb and K, respectively. Finally, the superconductivity is suppressed completely at a critical pressure near 7 and 6 GPa for A=Rb and K and probably above 10 GPa for A=Cs. Characteristic changes in the temperature dependence of resistivity of RbOs 2 O 6 under high pressure. The residual resistivity largely increases with pressure above 4 GPa and, as a result, resistivity indicates small temperature dependence down to 4.2 K at 7 GPa and application of further pressure up to 10 GPa indicates that temperature dependence of resistivity decrease below 100 K. This characteristic behavior in the β-pyrochlore oxides may originate from the nesting of nearly octahedron shape of Fermi surface

Radiation damage effects in pyrochlore and zirconolite ceramic matrices for the immobilization of actinide-rich wastes

International Nuclear Information System (INIS)

Lumpkin, G.R.; Begg, B.D.; Smith, K.L.

2000-01-01

Actinide-doping experiments using short-lived 238 Pu and 244 Cm have demonstrated that pyrochlore and zirconolite become fully amorphous at a dose of 0.2-0.5 x 10 16 α/mg at ambient temperature and exhibit bulk swelling of 5-7%. Detailed studies of natural samples have included determination of the critical amorphization dose, long-term annealing rate, microstructural changes as a function of dose, and the thermal histories of the host rocks. Together, the laboratory based work and studies of natural samples indicate that the critical amorphization dose will increase by about a factor of 2-4 for samples stored at temperatures of 100-200 deg. C for up to 10 million years. These studies of alpha-decay damage have been complemented by heavy ion irradiation studies over the last ten years. Most of the irradiation work has concerned the critical amorphization dose as a function of temperature in thin films; however, some work has been carried out on bulk samples. The irradiation work indicates that most pyrochlore and zirconolite compositions will have similar critical amorphization doses at low temperatures (e.g., below 300-400 deg. C). Pyrochlore with Zr as the major B-site cation transform to a defect fluorite structure with increasing ion irradiation dose, but do not become amorphous. (authors)

Speciation of uranium in La{sub 2}Zr{sub 2}O{sub 7} pyrochlore by TRPLS

Energy Technology Data Exchange (ETDEWEB)

Mohapatra, M.; Rajeswari, B.; Hon, N. S.; Kadam, R. M., E-mail: rmkadam@barc.gov.in; Natarajan, V. [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

2015-06-24

We discuss the speciation of uranium in lanthanum zirconate (La{sub 2}Zr{sub 2}O{sub 7} =LZO) pyrochlore ceramic prepared via a gel-combustion route. Uranium concentration in the pyrochlore was optimized to 2 mol%. XRD and SEM experiments were carried out to assess the phase and homogeneity of the prepared samples. Time resolved photoluminescence (TRPLS) investigations were carried out for understanding the species stabilized in the pyrochlore host. It was observed that, uranium exists as uranate ion (UO{sub 6}{sup 6−}) in the zirconate host where it replaces the ‘Zr’ ions at its regular site with surrounding defect centers created for charge compensation.

Stability of the Weyl-semimetal phase on the pyrochlore lattice

Science.gov (United States)

Berke, Christoph; Michetti, Paolo; Timm, Carsten

2018-04-01

Motivated by the proposal of a Weyl-semimetal phase in pyrochlore iridates, we consider a Hubbard-type model on the pyrochlore lattice. To shed light on the question as to why such a state has not been observed experimentally, its robustness is analyzed. On the one hand, we study the possible phases when the system is doped. Magnetic frustration favors several phases with magnetic and charge order that do not occur at half filling, including additional Weyl-semimetal states close to quarter filling. On the other hand, we search for density waves that break translational symmetry and destroy the Weyl-semimetal phase close to half filling. The uniform Weyl semimetal is found to be stable, which we attribute to the low density of states close to the Fermi energy.

Anisotropic vortex pinning in the β-pyrochlore oxide superconductor KOs 2O 6

Science.gov (United States)

Ishii, Y.; Yamaura, J.; Okamoto, Y.; Maeda, A.; Hiroi, Z.

2011-11-01

Vortex pinning in the β-pyrochlore oxide superconductor KOs2O6 with Tc = 9.6 K is investigated by measuring magnetic torque. A large anisotropy of magnetic torque is observed in the superconducting state below Tp = 7.6 K, where a first-order structural transition takes place, in spite of the inherent isotropic nature of the structural and electronic properties. Magnetic torque is enhanced at external magnetic fields parallel to the [1 1 1] and [0 0 1] directions. Moreover, a pronounced peak effect is also observed in the magnetic field dependence of the torque in these two directions. We consider that the observed anisotropy is related to a microstructure associated with the structural transition.

An unusual hybrid fluoride featuring a [V7F27]6- chain motif based on a pyrochlore-like building unit

International Nuclear Information System (INIS)

Aldous, David W.; Slawin, Alexandra M.Z.; Lightfoot, Philip

2008-01-01

A new hybrid vanadium (III) fluoride [C 4 H 12 N 2 ] 3 [V 7 F 27 ] has been synthesised solvothermally. The crystal structure (trigonal, R3-bar c; a=17.367(2) A, c=19.604(2) A) reveals an unusual and novel chain motif consisting of pyrochlore-like heptameric units of corner-sharing octahedra, which are further linked into linear chains of alternating triple and single octahedral groups. The chains are separated by hydrogen-bonded piperazinium moieties. Magnetic susceptibility data show moderate antiferromagnetic interactions but no long-range order above 2 K, consistent with pronounced one-dimensional character, as well as frustration arising within the triangular units of magnetic ions in the chains. - Graphical abstract: A unique chain-structure vanadium(III) fluoride [C 4 H 12 N 2 ] 3 [V 7 F 27 ], based on a pyrochlore-like building unit, has been prepared solvothermally. Despite antiferromagnetic interactions, no long-range magnetic order occurs above 2 K, suggesting possible frustration

X-ray diffraction study of the Y{sub 2}Ti{sub 2}O{sub 7} pyrochlore disordering sequence under irradiation

Energy Technology Data Exchange (ETDEWEB)

Soulié, Aurélien, E-mail: aurelien.soulie@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif sur Yvette (France); CEA, DEN, Service de Recherches de Métallurgie Appliqué, Université Paris-Saclay, F-91191 Gif sur Yvette (France); Menut, Denis [CEA, DEN, Service de Recherches de Métallurgie Appliqué, Université Paris-Saclay, F-91191 Gif sur Yvette (France); Crocombette, Jean-Paul [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif sur Yvette (France); Chartier, Alain [CEA, DEN, Service de la Corrosion et du Comportement des Matériaux dans leur Environnement, Laboratoire de Modélisation, de Thermodynamique et de Thermochimie, Université Paris-Saclay, F-91191 Gif sur Yvette (France); Sellami, Neila [Univ. Paris Sud, ICMMO-SP2M, Bât. 410, F-91405 Orsay (France); Sattonnay, Gaël [Univ. Paris-Sud, CSNSM, CNRS, IN2P3, Bât. 108, F-91405 Orsay (France); Monnet, Isabelle [CIMAP, CEA, CNRS, Université de Caen, BP 5133, F-14070 Caen Cedex 5 (France); and others

2016-11-15

The disordering sequence of Y{sub 2}Ti{sub 2}O{sub 7} pyrochlore, a nano-oxide phase that strengthens ODS steels under irradiation is studied in the experimental and modeling framework. XRD analysis has been performed considering both swift heavy ion and low energy/low mass ion irradiations. The simulation within molecular dynamics of Frenkel pair accumulation proves able to reproduce the variation of the amorphization fluence with temperature. XRD patterns calculated from the simulations reproduce well the patterns observed experimentally in the literature. Both experiments and calculations point to a first transition from pyrochlore to fluorite before an eventual amorphization. For swift heavy ion irradiations with 93 MeV Xe ions, tracks of direct impact amorphization are visible by HRTEM. Advanced refinement shows that one third of the pyrochlore impacted by an ion transforms into fluorite, while two third are directly amorphized. - Highlights: • A comparison between swift heavy ion and low energy/low mass ion irradiation of Y{sub 2}Ti{sub 2}O{sub 7} pyrochlore is performed. • Simulations of the irradiation with Molecular dynamics reproduce the amorphization dose at low energy/mass ion irradiation. • Advanced refinement of X-ray diffraction patterns gives the evolution of phase fractions in pyrochlore under irradiation. • The disordering sequence a transition from pyrochlore to defect fluorite before an eventual amorphization.

Low temperature spin dynamics and high pressure effects in frustrated pyrochlores

Science.gov (United States)

Mirebeau, Isabelle

2008-03-01

Frustrated pyrochlores R2M2O7, where R^3+ is a rare earth and M^4+ a transition or sp metal ion, show a large variety of exotic magnetic states due to the geometrical frustration of the pyrochlore lattice, consisting of corner sharing tetrahedra for both R and M ions. Neutron scattering allows one to measure their magnetic ground state as well as the spin fluctuations, in a microscopic way. An applied pressure may change the subtle energy balance between magnetic interactions, inducing new magnetic states. In this talk, I will review recent neutron results on Terbium pyrochlores, investigated by high pressure neutron diffraction and inelastic neutron scattering. Tb2M2O7 pyrochlores show respectively a spin liquid state for M=Ti [1], an ordered spin ice state for M= Sn [2], and a spin glass state with chemical order for M=Mo [3]. In Tb2Ti2O7 spin liquid, where only Tb^3+ ions are magnetic, an applied pressure induces long range antiferromagnetic order due to a small distortion of the lattice and magneto elastic coupling [4]. In Tb2Sn2O7, the substitution of Ti^4+ by the bigger Sn^4+ ion expands the lattice, inducing a long range ordered ferromagnetic state, with the local structure of a spin ice [2] and unconventional spin fluctuations [2,5]. The local ground state and excited crystal field states of the Tb^3+ ion were recently investigated by inelastic neutron scattering in both compounds [6]. Tb2Mo2O7, where Mo^4+ ions are also magnetic, shows an even more rich behaviour, due to the complex interaction between frustrated Tb and Mo lattices, having respectively localized and itinerant magnetism. In Tb2Mo2O7 spin glass, the lattice expansion induced by Tb/La substitution yields an ordered ferromagnetic state, which transforms back to spin glass under applied pressure [7]. New data about the spin fluctuations in these compounds, as measured by inelastic neutron scattering, will be presented. The talk will be dedicated to the memory of Igor Goncharenko, a renowned

Low-temperature specific heat of the β-pyrochlore oxide superconductors under high pressure

Science.gov (United States)

Isono, T.; Iguchi, D.; Machida, Y.; Izawa, K.; Salce, B.; Flouquet, J.; Ogusu, H.; Yamaura, J.; Hiroi, Z.

2011-01-01

We report the results of the low-temperature specific heat measurements of the single crystalline β-pyrochlore oxide superconductors AOs 2O 6 (A=K, Rb, and Cs) under high pressure up to 13 GPa. We find that superconducting transition temperature ( Tc) monotonically increases for CsOs 2O 6 and RbOs 2O 6, while the one for KOs 2O 6 decreases by applying the pressure. With further increasing the pressure, Tc is suddenly suppressed at the same lattice volume for all compounds, concomitant with the first-order structural phase transition.

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores.

Science.gov (United States)

Malkin, B Z; Lummen, T T A; van Loosdrecht, P H M; Dhalenne, G; Zakirov, A R

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores

International Nuclear Information System (INIS)

Perriot, Romain; Uberuaga, Blas P.

2015-01-01

We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd 2 Zr 2 O 7 (GZO) and Gd 2 Ti 2 O 7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusion with rates comparable to GZO for the fully disordered material. Here, we show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies VO or oxygen interstitials OI. And while in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, OI in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites AB or BA, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. Conversely, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping.

New Type of Quantum Criticality in the Pyrochlore Iridates

Directory of Open Access Journals (Sweden)

Lucile Savary

2014-11-01

Full Text Available Magnetic fluctuations and electrons couple in intriguing ways in the vicinity of zero-temperature phase transitions—quantum critical points—in conducting materials. Quantum criticality is implicated in non-Fermi liquid behavior of diverse materials and in the formation of unconventional superconductors. Here, we uncover an entirely new type of quantum critical point describing the onset of antiferromagnetism in a nodal semimetal engendered by the combination of strong spin-orbit coupling and electron correlations, and which is predicted to occur in the iridium oxide pyrochlores. We formulate and solve a field theory for this quantum critical point by renormalization group techniques and show that electrons and antiferromagnetic fluctuations are strongly coupled and that both these excitations are modified in an essential way. This quantum critical point has many novel features, including strong emergent spatial anisotropy, a vital role for Coulomb interactions, and highly unconventional critical exponents. Our theory motivates and informs experiments on pyrochlore iridates and constitutes a singular realistic example of a nontrivial quantum critical point with gapless fermions in three dimensions.

Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Torres-Martinez, Leticia M., E-mail: lettorresg@yahoo.com [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others

2012-04-16

Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

High-pressure resistivity measurements on the β-pyrochlore oxide KOs2O6

Science.gov (United States)

Ogusu, Hiroki; Takeshita, Nao; Yamaura, Jun-Ichi; Okamoto, Yoshihiko; Hiroi, Zenji

2010-12-01

High-pressure resistivity measurements are performed on a high-quality single crystal of the β-pyrochlore oxide KOs2O6 in the pressure range of 1.0 to 5.0 GPa. The superconducting transition temperature T increases slightly from 9.6 K at ambient pressure to 9.8 K at 1.0 GPa, decreases gradually with increasing pressure, and suddenly drops from 6.5 K to 3.2 K across P=3.6GPa. The drop of T at P is likely to be related to a change in the rattling vibration associated with a symmetry-breaking structural transition.

Use of linear free energy relationship to predict Gibbs free energies of formation of pyrochlore phases (CaMTi2O7)

International Nuclear Information System (INIS)

Xu, H.; Wang, Y.

1999-01-01

In this letter, a linear free energy relationship is used to predict the Gibbs free energies of formation of crystalline phases of pyrochlore and zirconolite families with stoichiometry of MCaTi 2 O 7 (or, CaMTi 2 O 7 ,) from the known thermodynamic properties of aqueous tetravalent cations (M 4+ ). The linear free energy relationship for tetravalent cations is expressed as ΔG f,M v X 0 =a M v X ΔG n,M 4+ 0 +b M v X +β M v X r M 4+ , where the coefficients a M v X , b M v X , and β M v X characterize a particular structural family of M v X, r M 4+ is the ionic radius of M 4+ cation, ΔG f,M v X 0 is the standard Gibbs free energy of formation of M v X, and ΔG n,M 4+ 0 is the standard non-solvation energy of cation M 4+ . The coefficients for the structural family of zirconolite with the stoichiometry of M 4+ CaTi 2 O 7 are estimated to be: a M v X =0.5717, b M v X =-4284.67 (kJ/mol), and β M v X =27.2 (kJ/mol nm). The coefficients for the structural family of pyrochlore with the stoichiometry of M 4+ CaTi 2 O 7 are estimated to be: a M v X =0.5717, b M v X =-4174.25 (kJ/mol), and β M v X =13.4 (kJ/mol nm). Using the linear free energy relationship, the Gibbs free energies of formation of various zirconolite and pyrochlore phases are calculated. (orig.)

Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

Energy Technology Data Exchange (ETDEWEB)

Sachan, Ritesh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division; Cooper, Valentino R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division; Liu, Bin [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Aidhy, Dilpuneet S. [Univ. of Wyoming, Laramie, WY (United States). Dept. of Mechanical Engineering; Voas, Brian K. [Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering; Lang, Maik [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Nuclear Engineering; Ou, Xin [Chinese Academy of Sciences (CAS), Shanghai (China). State Key Lab. of Functional Material for Informatics; Trautmann, Christina [GSI Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Technical Univ. of Darmstadt (Germany). Dept. of Materials Science; Zhang, Yanwen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Chisholm, Matthew F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division; Weber, William J. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division

2016-12-19

Atomically disordered oxides have attracted significant attention in recent years due to the possibility of enhanced ionic conductivity. However, the correlation between atomic disorder, corresponding electronic structure, and the resulting oxygen diffusivity is not well understood. The disordered variants of the ordered pyrochlore structure in gadolinium titanate (Gd₂Ti₂O₇) are seen as a particularly interesting prospect due to intrinsic presence of a vacant oxygen site in the unit atomic structure, which could provide a channel for fast oxygen conduction. In this paper, we provide insights into the subangstrom scale on the disordering-induced variations in the local atomic environment and its effect on the electronic structure in high-energy ion irradiation-induced disordered nanochannels, which can be utilized as pathways for fast oxygen ion transport. With the help of an atomic plane-by-plane-resolved analyses, the work shows how the presence of various types of TiO_x polyhedral that exist in the amorphous and disordered crystalline phase modify the electronic structures relative to the ordered pyrochlore phase in Gd₂Ti₂O₇. Finally, the correlated molecular dynamics simulations on the disordered structures show a remarkable enhancement in oxygen diffusivity as compared with ordered pyrochlore lattice and make that a suitable candidate for applications requiring fast oxygen conduction.

Synthesis, magnetic properties and Moessbauer spectroscopy for the pyrochlore family Bi{sub 2}BB Prime O{sub 7} with B=Cr and Fe and B Prime =Nb, Ta and Sb

Energy Technology Data Exchange (ETDEWEB)

Blanco, Maria C. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Franco, Diego G. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Centro Atomico Bariloche - CNEA, Av. E. Bustillo 9500, S.C. de Bariloche (8500), R.N. (Argentina); Jalit, Yamile; Pannunzio Miner, Elisa V. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Berndt, Graciele; Paesano, Andrea [Departamento de Fisica, Universidade Estadual de Maringa, Parana (Brazil); Nieva, Gladys [Centro Atomico Bariloche - CNEA, Av. E. Bustillo 9500, S.C. de Bariloche (8500), R.N. (Argentina); Carbonio, Raul E., E-mail: carbonio@mail.fcq.unc.edu.ar [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina)

2012-08-15

The samples Bi{sub 2}BB Prime O{sub 7}, with B=Cr and Fe and B Prime =Nb, Ta and Sb were prepared by solid state method. The crystallographic structure was investigated on the basis of X-ray powder diffraction data. Rietveld refinements show that the crystal structure is cubic, space group Fd-3m. The Bi{sup 3+} cation on the eight-coordinate pyrochlore A-site shows displacive disorder, as a consequence of its lone pair electron configuration. There is also a considerable A-site disorder shown by Rietveld Analysis and confirmed in the case of the iron containing samples with Moessbauer spectroscopy. The magnetic measurements show paramagnetic behavior at all temperatures for the Cr oxides. The Fe pyrochlores show antiferromagnetic order around 10 K.

Study on the chemical treatment processes of the uranium pyrochlore of Araxa

International Nuclear Information System (INIS)

Batista, H.F.; Fernandes, M.D.

Several processes are presented for the chemical treatment, in laboratory scale, of the uranium pyrochlore concentrates found in Araxa (Minas Gerais, Brazil), aiming to the extraction of uranium, thorium and rare earths, besides the recovery of niobium pentoxide [pt

High-pressure synthesis and characterizations of the R2Pt2O7 pyrochlores.

Science.gov (United States)

Cai, Yunqi; Cui, Qi; Cheng, Jinguang; Dun, Zhiling; Zhou, Haidong; Ma, Jie; Cruz, C. Dela; Yan, Jiaqiang; Li, Xiang; Zhou, Jianshi

Pyrochlore R2B2O7 where R3 + stands for rear-earth ion and B4 + for a nonmagnetic cation such as Sn4 +or Ti4 +consist of an important family of geometrically frustrated magnets, which have been the focus of extensive investigations over last decades. To further enlarge the R2B2O7, we have chosen to stabilize the Pt-based cubic pyrochlores under HPHT conditions for two reasons: (1) Pt4 + is in a low-spin state which ionic radius is located in between Ti4 + (0.605\\x85) and Sn4 + (0.69\\x85), and (2) Pt4 + has a spatially much more extended 5d orbitals and thus enhanced Pt 5d-O 2p hybridizations that might modify the local anisotropic exchange interactions. Such an effect has never been taken into account in the previous studies. In this work, we will present the detailed characterizations on the pyrochlores R2Pt2O7 obtained under HPHT conditions. This work is supported by the National Science Foundation of China (Grant Nos.11304371, 11574377), part of the work was supported by the CEM, and NSF MRSEC, under Grant DMR-1420451, and Grant No. NSF-DMR-1350002.

Phase transition and water incorporation into Eu2Sn2O7 pyrochlore at high pressure

Science.gov (United States)

Zhang, F. X.; Lang, M.; Ewing, R. C.

2016-04-01

Structural changes of europium stannate pyrochlore, Eu2Sn2O7, have been investigated at high pressures with in situ Raman spectroscopy, photoluminescence (PL), and synchrotron X-ray diffraction (XRD) techniques. The XRD measurements suggest that a pressure-induced phase transition starts at 34.4 GPa. The PL spectrum from Eu3+ cations also suggests a phase transition above 36 GPa. XRD analysis shows that the unit cell of the cubic phase deviates from the equation of state at pressures above 23.8 GPa. This is due to the incorporation of water from the pressure medium in the structure at high pressures, which is confirmed by optical spectroscopy measurements.

A spin-liquid with pinch-line singularities on the pyrochlore lattice.

Science.gov (United States)

Benton, Owen; Jaubert, L D C; Yan, Han; Shannon, Nic

2016-05-26

The mathematics of gauge theories lies behind many of the most profound advances in physics in the past 200 years, from Maxwell's theory of electromagnetism to Einstein's theory of general relativity. More recently it has become clear that gauge theories also emerge in condensed matter, a prime example being the spin-ice materials which host an emergent electromagnetic gauge field. In spin-ice, the underlying gauge structure is revealed by the presence of pinch-point singularities in neutron-scattering measurements. Here we report the discovery of a spin-liquid where the low-temperature physics is naturally described by the fluctuations of a tensor field with a continuous gauge freedom. This gauge structure underpins an unusual form of spin correlations, giving rise to pinch-line singularities: line-like analogues of the pinch points observed in spin-ice. Remarkably, these features may already have been observed in the pyrochlore material Tb2Ti2O7.

Irradiation-induced amorphization of Cd2Nb2O7 pyrochlore

International Nuclear Information System (INIS)

Meldrum, A.; White, C. W.; Keppens, V.; Boatner, L. A.; Ewing, R. C.

2001-01-01

Several investigations have recently been undertaken in order to achieve a more complete understanding of the radiation-damage mechanisms in A 2 B 2 O 7 pyrochlore-structure compounds. The present work represents the first systematic study of the irradiation-induced amorphization of a pyrochlore with A- and B-site cation valences of +2 and +5, respectively. Relatively large single crystals of Cd 2 Nb 2 O 7 were grown for these experiments. In situ ion-irradiation experiments were carried out in a transmission electron microscope in conjunction with ex situ Rutherford backscattering measurements of ion-irradiated Cd 2 Nb 2 O 7 single crystals. Cd 2 Nb 2 O 7 can be amorphized in situ by Ne or Xe ions at temperatures up to 480 and 620 K, respectively. At room temperature, the amorphization fluence was 36 times higher for 280 keV Ne + than for 1200 keV Xe 2+ , corresponding to a displacement dose that was higher by a factor of 3. Disordering of Cd and Nb over the available cation sites occurs at intermediate ion doses prior to amorphization. The temperature dependence of the amorphization dose is modeled, and the results are compared to those of a previous model. The bulk-sample Rutherford backscattering spectroscopy (RBS) results were generally consistent with the in situ TEM measurements. Effects of crystallographic orientation and ion charge state had relatively little effect on the damage accumulation in bulk crystals. The RBS data are consistent with a defect-accumulation, cascade-overlap model of amorphization of Cd 2 Nb 2 O 7 , as are the in situ TEM observations

Tm-doped TiO2 and Tm2Ti2O7 pyrochlore nanoparticles: enhancing the photocatalytic activity of rutile with a pyrochlore phase.

Science.gov (United States)

De Los Santos, Desiré M; Navas, Javier; Aguilar, Teresa; Sánchez-Coronilla, Antonio; Fernández-Lorenzo, Concha; Alcántara, Rodrigo; Piñero, Jose Carlos; Blanco, Ginesa; Martín-Calleja, Joaquín

2015-01-01

Tm-doped TiO2 nanoparticles were synthesized using a water-controlled hydrolysis reaction. Analysis was performed in order to determine the influence of the dopant concentration and annealing temperature on the phase, crystallinity, and electronic and optical properties of the resulting material. Various characterization techniques were utilized such as X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy and UV-vis spectroscopy. For the samples annealed at 773 and 973 K, anatase phase TiO2 was obtained, predominantly internally doped with Tm(3+). ICP-AES showed that a doping concentration of up to 5.8 atom % was obtained without reducing the crystallinity of the samples. The presence of Tm(3+) was confirmed by X-ray photoelectron spectroscopy and UV-vis spectroscopy: the incorporation of Tm(3+) was confirmed by the generation of new absorption bands that could be assigned to Tm(3+) transitions. Furthermore, when the samples were annealed at 1173 K, a pyrochlore phase (Tm2Ti2O7) mixed with TiO2 was obtained with a predominant rutile phase. The photodegradation of methylene blue showed that this pyrochlore phase enhanced the photocatalytic activity of the rutile phase.

Phase Competition in the Palmer-Chalker X Y Pyrochlore Er2Pt2O7

Science.gov (United States)

Hallas, A. M.; Gaudet, J.; Butch, N. P.; Xu, Guangyong; Tachibana, M.; Wiebe, C. R.; Luke, G. M.; Gaulin, B. D.

2017-11-01

We report neutron scattering measurements on Er2Pt2O7 , a new addition to the X Y family of frustrated pyrochlore magnets. Symmetry analysis of our elastic scattering data shows that Er2Pt2O7 orders into the k =0 , Γ7 magnetic structure (the Palmer-Chalker state), at TN=0.38 K . This contrasts with its sister X Y pyrochlore antiferromagnets Er2Ti2O7 and Er2Ge2O7 , both of which order into Γ5 magnetic structures at much higher temperatures, TN=1.2 and 1.4 K, respectively. In this temperature range, the magnetic heat capacity of Er2Pt2O7 contains a broad anomaly centered at T*=1.5 K . Our inelastic neutron scattering measurements reveal that this broad heat capacity anomaly sets the temperature scale for strong short-range spin fluctuations. Below TN=0.38 K , Er2Pt2O7 displays a gapped spin-wave spectrum with an intense, flat band of excitations at lower energy and a weak, diffusive band of excitations at higher energy. The flat band is well described by classical spin-wave calculations, but these calculations also predict sharp dispersive branches at higher energy, a striking discrepancy with the experimental data. This, in concert with the strong suppression of TN, is attributable to enhanced quantum fluctuations due to phase competition between the Γ7 and Γ5 states that border each other within a classically predicted phase diagram.

Phonon Dynamics and Multipolar Isomorphic Transition in β-Pyrochlore KOs2O6

Science.gov (United States)

Hattori, Kazumasa

2011-02-01

We investigate with a microscopic model anharmonic K-cation oscillation observed by neutron experiments in β-pyrochlore superconductor KOs2O6, which also shows a mysterious first-order structural transition at Tp = 7.5 K. We have identified a set of microscopic model parameters that successfully reproduce the observed tem perature dependence and the superconducting transition temperature. Considering changes in the parameters at Tp, we can explain puzzling experimental results about electron--phonon coupling and neutron data. Our analysis demonstrates that the first-order transition is multipolar transition driven by the octupolar component of K-cation oscillations. The octupole moment does not change the symmetry and is characteristic to noncentrosymmetric K-cation potential.

Heat capacity and magnetic properties of fluoride CsFe{sup 2+}Fe{sup 3+}F{sub 6} with defect pyrochlore structure

Energy Technology Data Exchange (ETDEWEB)

Gorev, M.V., E-mail: gorev@iph.krasn.ru [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Flerov, I.N. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Tressaud, A. [Institut de Chimie de la Matière Condensée, ICMCB-CNRS, Université Bordeaux, 33608 Pessac Cedex (France); Bogdanov, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk (Russian Federation); Kartashev, A.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Krasnoyarsk State Agrarian University, 660049 Krasnoyarsk (Russian Federation); Bayukov, O.A. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Eremin, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Krylov, A.S. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation)

2016-05-15

Heat capacity, Mössbauer and Raman spectra as well as magnetic properties of fluoride CsFe{sub 2}F{sub 6} with defect pyrochlore structure were studied. In addition to recently found above room temperature three successive structural transformations Pnma-Imma-I4{sub 1}amd-Fd-3m, phase transition of antiferromagnetic nature with the 13.7 K Neel temperature and a broad heat capacity anomaly with a maximum at about 30 K were observed. The room temperature symmetry Pnma is unchanged at least down to 7 K. Simple model of indirect bond used to estimate the exchange interactions and to propose a magnetic structure model. - Graphical abstract: The ordered arrangement of Fe{sup 2+} and Fe{sup 3+} ions in high-spin states as well as antiferromagnetic phase transition followed by significant magnetic frustrations were found in pyrocholore-related CsFe{sup 2+}Fe{sup 3+}F{sub 6}. A magnetic structure was proposed using a simple model of indirect bonds. - Highlights: • The Pnma structure in pyrocholore CsFe{sub 2}F{sub 6} is stable down to helium temperature. • Mössbauer spectra confirmed the ordering of Fe{sup 2+} and Fe{sup 3+} ions. • Antiferromagnetic transformation and significant magnetic frustrations are found. • Experimental magnetic entropy agrees with entropy for Fe ions in high-spin state. • Superexchange interactions were calculated and a magnetic structure was proposed.

Two-magnon scattering in the 5d all-in-all-out pyrochlore magnet Cd2Os2O7.

Science.gov (United States)

Nguyen, Thi Minh Hien; Sandilands, Luke J; Sohn, C H; Kim, C H; Wysocki, Aleksander L; Yang, In-Sang; Moon, S J; Ko, Jae-Hyeon; Yamaura, J; Hiroi, Z; Noh, Tae Won

2017-08-15

5d pyrochlore oxides with all-in-all-out magnetic order are prime candidates for realizing strongly correlated, topological phases of matter. Despite significant effort, a full understanding of all-in-all-out magnetism remains elusive as the associated magnetic excitations have proven difficult to access with conventional techniques. Here we report a Raman spectroscopy study of spin dynamics in the all-in-all-out magnetic state of the 5d pyrochlore Cd 2 Os 2 O 7 . Through a comparison between the two-magnon scattering and spin-wave theory, we confirm the large single ion anisotropy in this material and show that the Dzyaloshinskii-Moriya and exchange interactions play a significant role in the spin-wave dispersions. The Raman data also reveal complex spin-charge-lattice coupling and indicate that the metal-insulator transition in Cd 2 Os 2 O 7 is Lifshitz-type. Our work establishes Raman scattering as a simple and powerful method for exploring the spin dynamics in 5d pyrochlore magnets.Pyrochlore 5d transition metal oxides are expected to have interesting forms of magnetic order but are hard to study with conventional probes. Here the authors show that Raman scattering can be used to measure magnetic excitations in Cd 2 Os 2 O 7 and that it exhibits complex spin-charge-lattice coupling.

Effect of excess Mg and Excess Nb incorporation into the B-site of pyrochlore in the Pb-Mg-Nb-O system

Directory of Open Access Journals (Sweden)

Mergen, A.

2002-12-01

Full Text Available In the Pb-Mg-Nb-O system, excess Mg and excess Nb incorporation into the B-site of PMN pyrochlore were investigated along the compositons of Pb1.83Mg0.29+xNb1.71-xO6.39-1.5x where x=0.1, 0.2, 0.3, 0.4, 0.522 and Pb1.83Mg0.29-xNb1.71+xO6.39+1.5x where x=0.1, 0.2, 0.29 respectively. Excess Mg incorporation led to the formation of perovskite and excess Nb resulted in formation of Pb2Nb2O7 monoclinic pyrochlore. The densities of the PMN pyrochlore-PMN perovskite mixtures decreased with an increase in Mg concentration. The relative permittivity of the mixtures increased with decreasing pyrochlore content. The effect of pyrochlore on the permittivity follows the Weiner’s mixture rule up to a pyrochlore content of 50 vol%.

Se investigó la incorporación en lugares B de pirocloro PMN de un exceso de Mg y un exceso de Nb. En el sistema Pb-Mg-Nb-O2 las composiciones analizadas fueron Pb1.83Mg0.29+xNb1.71-xO6.39-1.5x donde x=0.1, 0.2, 0.3, 0.4, 0.522 y en Pb1.83Mg0.29-xNb1.71+xO6.39+1.5x donde x= 0.1, 0.2,0.29. El exceso de Mg condujo a la formación de perovskita y el exceso de Nb resultó en la formación del pirocloro monolínico, Pb2Nb2O7. La densidad de la mezcla de PMN pirocloro-perovskita dismunuye con el aumento de la concentración de Mg. La permitividad dieléctrica de las mezclas aumenta con la disminución del contenido de pirocloro. El efecto del pirocloro sobre la permitividad sigue la regla de mezclas de Weiner hasta conenidos de pirocloro del 50%.

Electrical conductivities and chemical stabilities of mixed conducting pyrochlores for SOFC applications

DEFF Research Database (Denmark)

Holtappels, P.; Poulsen, F.W.; Mogensen, Mogens Bjerg

2000-01-01

Pyrochlores with praseodymium as the A-site cation and zirconium, tin, cerium and manganese cations on the B-site were prepared in air and their electrical conductivities were investigated as a function of oxygen partial pressure and temperature. Pure Pr2Zr2O7+/-delta as well as samples modified...

Structural study and electrical properties of Zr-doped Nd2Sn2O7 ...

Indian Academy of Sciences (India)

applications as neutron absorbers and radioactive waste forms for final disposal. [2,3]. The cubic pyrochlore structure, space group Fd3m, has eight molecules of the general formula A2B2O6O in the unit cell. The anion array consists of three independent sites O(1), O(2) and O(3), occupying the locations 48f, 8a and 8b.

Intricate disorder in defect fluorite/pyrochlore: a concord of chemistry and crystallography

Czech Academy of Sciences Publication Activity Database

Simeone, D.; Thorogood, G.J.; Huo, D.; Luneville, L.; Baldinozzi, G.; Petříček, Václav; Porcher, F.; Ribis, J.; Mazerolles, L.; Largeau, L.; Berar, J.F.; Surble, S.

2017-01-01

Roč. 7, Jun (2017), 1-7, č. článku 3727. ISSN 2045-2322 Institutional support: RVO:68378271 Keywords : disorder * atomic scale * metallic allys * oxides * fluorite/pyrochlore Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.259, year: 2016

A novel high-temperature commensurate superstructure in a natural bariopyrochlore: A structural study by means of a multiphase crystal structure refinement

International Nuclear Information System (INIS)

Bindi, L.; Petricek, V.; Withers, R.L.; Zoppi, M.; Bonazzi, P.

2006-01-01

Additional X-ray diffraction effects yielding an eightfold commensurate superstructure [a=20.974(5)A] of the ideal pyrochlore structure were observed after annealing at 873K of a thallium-doped bariopyrochlore single crystal. Electron diffraction indicated the coexistence of two cubic phases, the pyrochlore structure and a new F-centred, cubic phase. The superstructure was solved and refined in the space group F4-bar 3m. The two phases were combined together and refined as independently diffracting to R=0.0628. The resulting unit-cell content is (A,-bar ) 20 Nb 16 Ti 2 O 53 (Z=8), with A=Ba, Tl, Ce, Th. For some atomic positions of the superstructure, third- and fourth-order anharmonic ADP's were used to account for the specific density shape having a continuous character as typical for ionic conductors. There are three distinct clusters in the superstructure, leading to a new structure type no longer strictly of pyrochlore-structure type

Topological Magnon Bands and Unconventional Superconductivity in Pyrochlore Iridate Thin Films

Science.gov (United States)

Laurell, Pontus; Fiete, Gregory A.

2017-04-01

We theoretically study the magnetic properties of pyrochlore iridate bilayer and trilayer thin films grown along the [111] direction using a strong coupling approach. We find the ground state magnetic configurations on a mean field level and carry out a spin-wave analysis about them. In the trilayer case the ground state is found to be the all-in-all-out (AIAO) state, whereas the bilayer has a deformed AIAO state. For all parameters of the spin-orbit coupled Hamiltonian we study, the lowest magnon band in the trilayer case has a nonzero Chern number. In the bilayer case we also find a parameter range with nonzero Chern numbers. We calculate the magnon Hall response for both geometries, finding a striking sign change as a function of temperature. Using a slave-boson mean-field theory we study the doping of the trilayer system and discover an unconventional time-reversal symmetry broken d +i d superconducting state. Our study complements prior work in the weak coupling limit and suggests that the [111] grown thin film pyrochlore iridates are a promising candidate for topological properties and unconventional orders.

Topological Magnon Bands and Unconventional Superconductivity in Pyrochlore Iridate Thin Films.

Science.gov (United States)

Laurell, Pontus; Fiete, Gregory A

2017-04-28

We theoretically study the magnetic properties of pyrochlore iridate bilayer and trilayer thin films grown along the [111] direction using a strong coupling approach. We find the ground state magnetic configurations on a mean field level and carry out a spin-wave analysis about them. In the trilayer case the ground state is found to be the all-in-all-out (AIAO) state, whereas the bilayer has a deformed AIAO state. For all parameters of the spin-orbit coupled Hamiltonian we study, the lowest magnon band in the trilayer case has a nonzero Chern number. In the bilayer case we also find a parameter range with nonzero Chern numbers. We calculate the magnon Hall response for both geometries, finding a striking sign change as a function of temperature. Using a slave-boson mean-field theory we study the doping of the trilayer system and discover an unconventional time-reversal symmetry broken d+id superconducting state. Our study complements prior work in the weak coupling limit and suggests that the [111] grown thin film pyrochlore iridates are a promising candidate for topological properties and unconventional orders.

Compositional Evolution of Pyrochlore-Group Minerals in Carbonatites of the Belaya Zima Pluton, Eastern Sayan

Science.gov (United States)

Khromova, E. A.; Doroshkevich, A. G.; Sharygin, V. V.; Izbrodin, L. A.

2017-12-01

Pyrochlore-group minerals are the main concentrators of niobium in carbonatites of the Belaya Zima alkaline pluton. Fluorcalciopyrochlore, kenopyrochlore and hydropyrochlore were identified in chemical composition. Their main characteristics are given: compositional variation, morphology, and zoning. During evolution from early calcite to late ankerite carbonatites, the UO2, TiO2, REE, and Y contents gradually increased. All carbonatite types are suggested to contain initial fluorcalciopyrochlore. However, in calcite-dolomite and ankerite carbonatites, it is partially or completely hydrated due to hydrothermal processes at the late stage of the pluton. This hydration resulted in the appearance of kenopyrochlore and hydropyrochlore due to removal of Ca, Na and F, and input of Ba, H2O, K, Si, Fe, and probably U and REE. At the last stage of the pluton, this hydrated pyrochlore was replaced by Fe-bearing columbite.

Synthesis and structural characterization of Ce-doped bismuth titanate

International Nuclear Information System (INIS)

Pavlovic, Nikolina; Srdic, Vladimir V.

2009-01-01

Ce-modified bismuth titanate nanopowders Bi 4-x Ce x Ti 3 O 12 (x ≤ 1) have been synthesized using a coprecipitation method. DTA/TG, FTIR, XRD, SEM/EDS and BET methods were used in order to investigate the effect of Ce-substitution on the structure, morphology and sinterability of the obtained powders. The phase structure investigation revealed that after calcinations at 600 deg. C powder without Ce addition exhibited pure bismuth titanate phase; however, powders with Ce (x = 0.25, 0.5 and 0.75) had bismuth titanate pyrochlore phase as the second phase. The strongest effect of Ce addition on the structure was noted for the powder with the highest amount of Ce (x = 1) having a cubic pyrochlore structure. The presence of pure pyrochlore phase was explained by its stabilization due to the incorporation of cerium ions in titanate structure. Ce-modified bismuth titanate ceramic had a density over 95% of theoretical density and the fracture in transgranular manner most probably due to preferable distribution of Ce in boundary region

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores

NARCIS (Netherlands)

Malkin, B. Z.; Lummen, T. T. A.; van Loosdrecht, P. H. M.; Dhalenne, G.; Zakirov, A. R.

2010-01-01

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R2Ti2O7 (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the

Spin-1/2 Heisenberg antiferromagnet on the pyrochlore lattice: An exact diagonalization study

Science.gov (United States)

Chandra, V. Ravi; Sahoo, Jyotisman

2018-04-01

We present exact diagonalization calculations for the spin-1/2 nearest-neighbor antiferromagnet on the pyrochlore lattice. We study a section of the lattice in the [111] direction and analyze the Hamiltonian of the breathing pyrochlore system with two coupling constants J1 and J2 for tetrahedra of different orientations and investigate the evolution of the system from the limit of disconnected tetrahedra (J2=0 ) to a correlated state at J1=J2 . We evaluate the low-energy spectrum, two and four spin correlations, and spin chirality correlations for a system size of up to 36 sites. The model shows a fast decay of spin correlations and we confirm the presence of several singlet excitations below the lowest magnetic excitation. We find chirality correlations near J1=J2 to be small at the length scales available at this system size. Evaluation of dimer-dimer correlations and analysis of the nature of the entanglement of the tetrahedral unit shows that the triplet sector of the tetrahedron contributes significantly to the ground-state entanglement at J1=J2 .

The effect of B-site substitution on structural transformation and ionic conductivity in Ho2(ZryTi1−y)2O7

International Nuclear Information System (INIS)

Shafique, Muhammad; Kennedy, Brenden J.; Iqbal, Yaseen; Ubic, Rick

2016-01-01

Compounds in the pyrochlore system Ho 2 (Zr y Ti 1−y ) 2 O 7 exhibit an order-disorder transition from pyrochlore to a defect-fluorite type structure. Compositions in this system were prepared via mechanical milling, followed by a two-step sintering process. Structural characterization was carried out via Rietveld refinements using neutron powder diffraction data, supported by X-ray diffraction to determine the phase and location of the pyrochlore-fluorite transformation. Unit-cell parameters were determined for the whole series using Rietveld refinements as well as the Nelson–Riley function. The neutron refinement results confirmed that the cation disorder was independent of the anion Frenkel disorder. The relation between the x-parameter in the oxygen 48f position and anion Frenkel disorder was found to be linear for the pyrochlore structure. The ionic conductivity studies were undertaken via AC impedance analysis to determine the electronic behaviour and its relation to the structural change in the temperature range 300°C–700 °C. The trends in ionic conductivity and activation energy were explained structurally via neutron powder diffraction and X-ray diffraction data. The pyrochlore-fluorite boundary composition (at y = 0.5) exhibited the lowest activation energy and highest ionic conductivity. - Highlights: • Ho 2 (Zr y Ti 1-y ) 2 O 7 structure changed from ordered pyrochlore to defect-fluorite at y = 0.6. • Ho 2 (Zr 0.5 Ti 0.5 ) 2 O 7 exhibited high ionic conductivity and low activation energy. • Doping improved stability in ionic conductivity behaviour at lower temperature.

Room temperature aerobic oxidation of amines by a nanocrystalline ruthenium oxide pyrochlore nafion composite catalyst.

Science.gov (United States)

Venkatesan, Shanmuganathan; Kumar, Annamalai Senthil; Lee, Jyh-Fu; Chan, Ting-Shan; Zen, Jyh-Myng

2012-05-14

The aerobic oxidation of primary amines to their respective nitriles has been carried out at room temperature using a highly reusable nanocrystalline ruthenium oxide pyrochlore Nafion composite catalyst (see figure). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Conductivity and hydration trends in disordered fluorite and pyrochlore oxides: A study on lanthanum cerate–zirconate based compounds

DEFF Research Database (Denmark)

Besikiotis, Vasileios; Ricote, Sandrine; Jensen, Molly Hjorth

2012-01-01

In the present contribution we discuss the influence of order/disorder on the concentration and mobility of ionic charge carriers in undoped and acceptor (calcium) doped fluorite and pyrochlore structured lanthanum cerate–zirconate solid solutions: (La1−yCay)2(Ce1−xZrx)2O7−δ (y=0, 0.02, 0.10; x=0...... enthalpy becomes more exothermic with higher cerium content, i.e. with more disordered materials. The proton conductivity decreases upon acceptor substitution of La3+ with Ca2+ which is attributed to trapping of the charge carriers by the effectively negative acceptor....

Potassium Disorder in the Defect Pyrochlore KSbTeO6: A Neutron Diffraction Study

Directory of Open Access Journals (Sweden)

José Antonio Alonso

2017-01-01

Full Text Available KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD and neutron powder diffraction (NPD data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7 Å, space group F d 3 ¯ m , Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,TeO6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3–3.07(3 Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.

Crystal-field study of magnetization and specific heat properties of frustrated pyrochlore Pr2Zr2O7

International Nuclear Information System (INIS)

Alam, J.; Jana, Y.M.; Biswas, A. Ali

2016-01-01

The experimental results of temperature dependent dc magnetic susceptibility, field dependent isothermal magnetization, magnetic specific heat and entropy of the pyrochlore Pr 2 Zr 2 O 7 are simulated and analyzed using appropriate D 3d crystal-field (CF) and anisotropic molecular field tensors at Pr-sites in the self-consistent mean-field approach involving four magnetically non-equivalent rare-earth spins on the tetrahedral unit of the pyrochlore structure. CF level pattern and wave-functions of the ground 3 H 4 multiplet of the Pr 3+ ions are obtained considering intermediate coupling between different Russell-Saunders terms of the 4f 2 electronic configurations of Pr-ion and J-mixing effects. CF analysis shows that the CF ground-state of the Pr 3+ ion in Pr 2 Zr 2 O 7 is a well-isolated doublet, with significant admixtures of terms coming from |M J =±4〉 and |M J =±1〉, and the Pr-spins are effectively Ising-like along the local <111> axes. Magnetic specific heat in zero-field is simulated by considering a temperature dependence of the exchange splitting of the ground doublet. - Highlights: • Full CF diagonalization using intermediate coupling and J-mixing. • Pr-spins are Ising-like along local [111] axis. • Magnetic specific heat is due to temperature dependence exchange splitting of ground CF doublet.

Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate

KAUST Repository

Noureldine, Dalal

2015-10-27

A combination of experimental and computational methods was applied to investigate the crystal structure and optoelectronic properties of the non-stoichiometric pyrochlore Bi2−xTi2O7−1.5x. The detailed experimental protocol for both powder and thin-film material synthesis revealed that a non-stoichiometric Bi2−xTi2O7−1.5x structure with an x value of ∼0.25 is the primary product, consistent with the thermodynamic stability of the defect-containing structure computed using density functional theory (DFT). The approach of density functional perturbation theory (DFPT) was used along with the standard GGA PBE functional and the screened Coulomb hybrid HSE06 functional, including spin–orbit coupling, to investigate the electronic structure, the effective electron and hole masses, the dielectric constant, and the absorption coefficient. The calculated values for these properties are in excellent agreement with the measured values, corroborating the overall analysis. This study indicates potential applications of bismuth titanate as a wide-bandgap material, e.g., as a substitute for TiO2 in dye-sensitized solar cells and UV-light-driven photocatalysis.

Quantum phase transitions and anomalous Hall effect in a pyrochlore Kondo lattice

Science.gov (United States)

Grefe, Sarah; Ding, Wenxin; Si, Qimiao

The metallic variant of the pyrochlore iridates Pr2Ir2O7 has shown characteristics of a possible chiral spin liquid state [PRL 96 087204 (2006), PRL 98, 057203 (2007), Nature 463, 210 (2010)] and quantum criticality [Nat. Mater. 13, 356 (2014)]. An important question surrounding the significant anomalous Hall response observed in Pr2Ir2O7 is the nature of the f-electron local moments, including their Kondo coupling with the conduction d-electrons. The heavy effective mass and related thermodynamic characteristics indicate the involvement of the Kondo effect in this system's electronic properties. In this work, we study the effects of Kondo coupling on candidate time-reversal-symmetry-breaking spin liquid states on the pyrochlore lattice. Representing the f-moments as slave fermions Kondo-coupled to conduction electrons, we study the competition between Kondo-singlet formation and chiral spin correlations and determine the zero-temperature phase diagram. We derive an effective chiral interaction between the local moments and the conduction electrons and calculate the anomalous Hall response across the quantum phase transition from the Kondo destroyed phase to the Kondo screened phase. We discuss our results' implications for Pr2Ir2O7 and related frustrated Kondo-lattice systems.

C60 and U ion irradiation of Gd₂Ti_xZr_2-xO₇ pyrochlore

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jiaming; Toulemonde, Marcel; Lang, Maik; Costantini, Jean Marc; Della-Negra, Serge; Ewing, Rodney C.

2015-08-01

Gd₂Ti_xZr_2-xO₇ (x = 0 to 2) pyrochlore was irradiated by 30 MeV C₆₀ clusters, which provide an extremely high ionizing energy density. Here, high-resolution transmission electron microscopy revealed a complex ion-track structure in Gd₂Ti₂O₇ and Gd₂TiZrO₇, consisting of an amorphous core and a shell of a disordered, defect-fluorite structure.

Atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb1.5O7 nanoparticles synthesized by sol-gel method

KAUST Repository

Zhang, Yuan; Zhu, Xinhua; Zhou, Shunhua; Zhu, Jianmin; Liu, Zhiguo; Al-Kassab, Talaat

2013-01-01

Here, we report the atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb 1.5O7 (BMN) nanoparticles with mean size of 70 nm, which were synthesized by sol-gel method. The crystallinity, phase formation, morphology, and surface microstructure of the BMN nanoparticles were characterized by X-ray diffraction (XRD), Raman spectra, transmission electron microscopy (TEM), and high-resolution transmission electron microscopy (HRTEM), respectively. The phase evolution of the BMN nanoparticles investigated by XRD patterns showed that uniform cubic pyrochlore BMN nanoparticles were obtained after calcination at temperature of 800 C, and their structural information was revealed by Raman spectrum. TEM images demonstrated that the BMN nanoparticles had a spherical morphology with an average particle size of 70 nm, and their crystalline nature was revealed by HRTEM images. In addition, HRTEM images also demonstrate a terrace-ledge-kink (TLK) surface structure at the edges of rough BMN nanoparticles, where the terrace was on the (100) plane, and the ledge on the (001) plane. The formation of such a TLK surface structure can be well explained by a theory of periodic bond chains. Due to the surface structural reconstruction in the BMN nanoparticles, the formation of a tetragonal structure in a rough BMN nanoparticle was also revealed by HRTEM image. The BMN nanoparticles exhibited dielectric constants of 50 at 100 kHz and 30 at 1 MHz, and the dielectric loss of 0.19 at 1 MHz. © 2013 Springer Science+Business Media Dordrecht.

Atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb1.5O7 nanoparticles synthesized by sol-gel method

KAUST Repository

Zhang, Yuan

2013-12-24

Here, we report the atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb 1.5O7 (BMN) nanoparticles with mean size of 70 nm, which were synthesized by sol-gel method. The crystallinity, phase formation, morphology, and surface microstructure of the BMN nanoparticles were characterized by X-ray diffraction (XRD), Raman spectra, transmission electron microscopy (TEM), and high-resolution transmission electron microscopy (HRTEM), respectively. The phase evolution of the BMN nanoparticles investigated by XRD patterns showed that uniform cubic pyrochlore BMN nanoparticles were obtained after calcination at temperature of 800 C, and their structural information was revealed by Raman spectrum. TEM images demonstrated that the BMN nanoparticles had a spherical morphology with an average particle size of 70 nm, and their crystalline nature was revealed by HRTEM images. In addition, HRTEM images also demonstrate a terrace-ledge-kink (TLK) surface structure at the edges of rough BMN nanoparticles, where the terrace was on the (100) plane, and the ledge on the (001) plane. The formation of such a TLK surface structure can be well explained by a theory of periodic bond chains. Due to the surface structural reconstruction in the BMN nanoparticles, the formation of a tetragonal structure in a rough BMN nanoparticle was also revealed by HRTEM image. The BMN nanoparticles exhibited dielectric constants of 50 at 100 kHz and 30 at 1 MHz, and the dielectric loss of 0.19 at 1 MHz. © 2013 Springer Science+Business Media Dordrecht.

Direct Measurement of Surface Dissolution Rates in Potential Nuclear Waste Forms: The Example of Pyrochlore.

Science.gov (United States)

Fischer, Cornelius; Finkeldei, Sarah; Brandt, Felix; Bosbach, Dirk; Luttge, Andreas

2015-08-19

The long-term stability of ceramic materials that are considered as potential nuclear waste forms is governed by heterogeneous surface reactivity. Thus, instead of a mean rate, the identification of one or more dominant contributors to the overall dissolution rate is the key to predict the stability of waste forms quantitatively. Direct surface measurements by vertical scanning interferometry (VSI) and their analysis via material flux maps and resulting dissolution rate spectra provide data about dominant rate contributors and their variability over time. Using pyrochlore (Nd2Zr2O7) pellet dissolution under acidic conditions as an example, we demonstrate the identification and quantification of dissolution rate contributors, based on VSI data and rate spectrum analysis. Heterogeneous surface alteration of pyrochlore varies by a factor of about 5 and additional material loss by chemo-mechanical grain pull-out within the uppermost grain layer. We identified four different rate contributors that are responsible for the observed dissolution rate range of single grains. Our new concept offers the opportunity to increase our mechanistic understanding and to predict quantitatively the alteration of ceramic waste forms.

High-pressure behavior of A ₂ B ₂ O ₇ pyrochlore (A=Eu, Dy; B=Ti, Zr)

Energy Technology Data Exchange (ETDEWEB)

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; Fuentes, Antonio F.; Yan, Jinyuan; Ewing, Rodney C.; Mao, Wendy L.

2017-01-28

In situ high-pressure X-ray diffraction and Raman spectroscopy were used to determine the influence of composition on the high-pressure behavior of A₂B₂O₇ pyrochlore (A=Eu, Dy; B=Ti, Zr) up to ~50GPa. Based on X-ray diffraction results, all compositions transformed to the high-pressure cotunnite structure. The B-site cation species had a larger effect on the transition pressure than the A-site cation species, with the onset of the phase transformation occurring at ~41 GPa for B=Ti and ~16 GPa B=Zr. However, the A-site cation affected the kinetics of the phase transformation, with the transformation for compositions with the smaller ionic radii, i.e., A=Dy, proceeding faster than those with a larger ionic radii, i.e., A=Eu. These results were consistent with previous work in which the radius-ratio of the A- and B-site cations determined the energetics of disordering, and compositions with more similarly sized A- and B-site cations had a lower defect formation energy. Raman spectra revealed differences in the degree of short-range order of the different compositions. Due to the large phase fraction of cotunnite at high pressure for B=Zr compositions, Raman modes for cotunnite could be observed, with more modes recorded for A=Eu than A=Dy. These additional modes are attributed to increased short-to-medium range ordering in the initially pyrochlore structured Eu₂Zr₂O₇ as compared with the initially defect-fluorite structured Dy₂Zr₂O₇.

Induced quadrupolar singlet ground state of praseodymium in a modulated pyrochlore

Science.gov (United States)

van Duijn, J.; Kim, K. H.; Hur, N.; Ruiz-Bustos, R.; Adroja, D. T.; Bridges, F.; Daoud-Aladine, A.; Fernandez-Alonso, F.; Wen, J. J.; Kearney, V.; Huang, Q. Z.; Cheong, S.-W.; Perring, T. G.; Broholm, C.

2017-09-01

The complex structure and magnetism of Pr2 -xBixRu2O7 was investigated by neutron scattering and extended x-ray absorption fine structure. Pr has an approximate doublet ground state and the first excited state is a singlet. While the B -site (Ru) is well ordered throughout, this is not the case for the A -site (Pr/Bi). A broadened distribution for the Pr-O2 bond length at low temperature indicates the Pr environment varies from site to site even for x =0 . The environment about the Bi site is highly disordered ostensibly due to the 6 s lone pairs on Bi3 +. Correspondingly, we find that the non-Kramers doublet ground-state degeneracy, otherwise anticipated for Pr in the pyrochlore structure, is lifted so as to produce a quadrupolar singlet ground state with a spatially varying energy gap. For x =0 , below TN, the Ru sublattice orders antiferromagnetically, with propagation vector k =(0 ,0 ,0 ) as for Y2Ru2O7 . No ordering associated with the Pr sublattice is observed down to 100 mK. The low-energy magnetic response of Pr2 -xBixRu2O7 features a broad spectrum of magnetic excitations associated with inhomogeneous splitting of the Pr quasidoublet ground state. For x =0 (x =0.97 ), the spectrum is temperature dependent (independent). It appears disorder associated with Bi alloying enhances the inhomogeneous Pr crystal-field level splitting so that intersite interactions become irrelevant for x =0.97 . The structural complexity for the A -site may be reflected in the hysteretic uniform magnetization of B -site ruthenium in the Néel phase.

Interface formation and defect structures in epitaxial La2Zr2O7 thin films on (111) Si

International Nuclear Information System (INIS)

Seo, J.W.; Fompeyrine, J.; Guiller, A.; Norga, G.; Marchiori, C.; Siegwart, H.; Locquet, J.-P.

2003-01-01

We have studied the growth of epitaxial La 2 Zr 2 O 7 thin films on (111) Si. Although the interface structure can be strongly affected by the Si oxidation during the deposition process, epitaxial growth of La 2 Zr 2 O 7 was obtained. A detailed study by means of transmission electron microscopy reveals two types of structures (pyrochlore and fluorite) with the same average chemical composition but strong differences in reactivity and interface formation. The structural complexity of the ordered pyrochlore structure seems to prevent excess oxygen diffusion and interfacial SiO 2 formation

PDF analysis on re-crystallized structure from amorphous BiT

Energy Technology Data Exchange (ETDEWEB)

Yoneda, Yasuhiro [Japan Atomic Energy Research Institute, Synchrotron Radiation Research Center, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5148 (Japan)]. E-mail: yoneda@spring8.or.jp; Kohara, Shinji [Synchrotron Radiation Research Laboratory, Japan Synchrotron Radiation, Research Institute, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5198 (Japan); Hamazaki, Shin' ichi [Department of Electronics, Iwaki Meisei University, Iino 5-5-1, Chuohdai, Fukushima 970-8551 (Japan); Takashige, Masaaki [Department of Electronics, Iwaki Meisei University, Iino 5-5-1, Chuohdai, Fukushima 970-8551 (Japan); Mizuki, Jun' ichiro [Japan Atomic Energy Research Institute, Synchrotron Radiation Research Center, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5148 (Japan)

2005-08-15

A glass sample of composition Bi{sub 4}Ti{sub 3}O{sub 12} was prepared by rapid quenching. The as-quenched sample was confirmed to be amorphous by synchrotron X-ray measurements. The crystallization process of the amorphous sample was also investigated by high-energy X-ray diffraction and by atomic pair distribution function analysis. The perovskite layer in the crystal Bi{sub 4}Ti{sub 3}O{sub 12} is transformed to a pyrochlore structure in the amorphous sample. The amorphous sample first crystallized to a metastable phase by acquiring long-range ordering of the pyrochlore structure at T {sub cryst1}, and then secondary crystallized into a reverted Bi{sub 4}Ti{sub 3}O{sub 12} structure at T {sub cryst2}.

Key insights on the structural characterization of textured Er2O3–ZrO2 nano-oxides prepared by a surfactant-free solvothermal route

International Nuclear Information System (INIS)

Julián-López, Beatriz; Luz, Verónica de la; Gonell, Francisco; Cordoncillo, Eloisa; López-Haro, Miguel; Calvino, Jose J.; Escribano, Purificación

2012-01-01

Highlights: ► Structural resolution of fluorite vs. pyrochlore in small nanocrystals. ► Simple template-free solvothermal synthesis of Er 2 O 3 –ZrO 2 nanooxides. ► Good control over size, morphology and surface properties (280 m 2 g −1 ). - Abstract: Zirconia-mixed oxides can exhibit cubic fluorite and pyrochlore structure. Their discrimination is not easy in nanooxides with a crystal size close to that of a few unit cells. In this work, high resolution transmission electron microscopy (HRTEM) has been employed to provide key insights on the structural characterization of a nanometric and porous mixed Er 2 O 3 –ZrO 2 oxide. The material was prepared by a simple template-free solvothermal route that provided nanocrystalline powders at low temperature (170 °C) with spherical morphology, and high surface area (∼280 m 2 g −1 ). The porosity was mainly originated from the assembling of organic complexing agents used in the synthesis to limit the crystal growth and to control hydrolysis and condensation reaction rates. The samples were characterized by thermal analysis, X-ray diffraction, scanning electron microscopy and N 2 adsorption measurements. A detailed study by HRTEM was conducted on microtomed samples. It was observed that the material was made of nanocrystals packed into spherical agglomerates. HRTEM simulations indicated that it is not possible to identify the pyrochlore phase in nanoparticles with diameter below 2 nm. In our samples, the analysis of the HRTEM lattice images by means of fast Fourier transform (FFT) techniques revealed well defined spots that can be assigned to different planes of a cubic fluorite-type phase, even in the raw material. Raman spectroscopy was also a powerful technique to elucidate the crystalline phase of the materials with the smallest nanoparticles. HREM and Raman results evidenced that the material is constituted, irrespective of the temperature of the final calcination step, by an ensemble of randomly

Key insights on the structural characterization of textured Er{sub 2}O{sub 3}-ZrO{sub 2} nano-oxides prepared by a surfactant-free solvothermal route

Energy Technology Data Exchange (ETDEWEB)

Julian-Lopez, Beatriz, E-mail: julian@qio.uji.es [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Luz, Veronica de la; Gonell, Francisco; Cordoncillo, Eloisa [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Lopez-Haro, Miguel; Calvino, Jose J. [Departamento de Ciencia de los Materiales e Ingenieria Metalurgica y Quimica Inorganica, Facultad de Ciencias, Universidad de Cadiz, Campus Rio San Pedro, Puerto Real, 11510 Cadiz (Spain); Escribano, Purificacion [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain)

2012-04-05

that the material is constituted, irrespective of the temperature of the final calcination step, by an ensemble of randomly oriented nanocrystals with fluorite structure. This study opens new perspectives for the design of synthetic approaches to prepare nanooxides (fluorites and pyrochlores) and the analysis of their crystalline structure.

Thermo-selective Tm(x)Ti(1-x)O(2-x/2) nanoparticles: from Tm-doped anatase TiO2 to a rutile/pyrochlore Tm2Ti2O7 mixture. An experimental and theoretical study with a photocatalytic application.

Science.gov (United States)

Navas, Javier; Sánchez-Coronilla, Antonio; Aguilar, Teresa; De los Santos, Desireé M; Hernández, Norge C; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; Martín-Calleja, Joaquín

2014-11-07

This is an experimental and theoretical study of thulium doped TiO2 nanoparticles. From an experimental perspective, a method was used to synthesize thulium-doped TiO2 nanoparticles in which Tm(3+) replaces Ti(4+) in the lattice, which to our knowledge has neither been reported nor studied theoretically so far. Different proportions of anatase and rutile phases were obtained at different annealing temperatures, and XRD and Raman spectroscopy also revealed the presence of a pyrochlore phase (Tm2Ti2O7) at 1173 K. Thus, the structure of the Tm-doped nanoparticles was thermally-controlled. Furthermore, XPS showed the presence of Tm(3+) in the samples synthesized, which produces oxygen vacancies to maintain the local neutrality in the lattice. The presence of Tm(3+) in the samples led to changes in the UV-Vis absorption spectra, so they showed photoluminescence properties and new states in the band gap, which produce a new lower energy electronic transition than the main TiO2 one. Periodic DFT calculations were performed to understand the experimentally produced structures. The production of oxygen vacancies was analysed and the changes generated in the structure were fully detailed. The DOS and PDOS analyses confirmed the experimental results obtained using UV-Vis spectroscopy, and showed that the new electronic states in the band gap are due to interactions of the f state of Tm and the p state of O. Likewise, the charge study and the ELF analysis indicate that when Tm is introduced into the TiO2 structure, the Ti-O bond around the oxygen vacancy is strengthened. Finally, an example of a photocatalytic application was developed to show the high efficiency of the samples due to the heterojunction in the interfaces of the phases in the samples, which improved the charge separation and the good charge carrier mobility due to the presence of the pyrochlore phase, as was also shown theoretically.

Multilayer Thermal Barrier Coating (TBC) Architectures Utilizing Rare Earth Doped YSZ and Rare Earth Pyrochlores

Science.gov (United States)

Schmitt, Michael P.; Rai, Amarendra K.; Bhattacharya, Rabi; Zhu, Dongming; Wolfe, Douglas E.

2014-01-01

To allow for increased gas turbine efficiencies, new insulating thermal barrier coatings (TBCs) must be developed to protect the underlying metallic components from higher operating temperatures. This work focused on using rare earth doped (Yb and Gd) yttria stabilized zirconia (t' Low-k) and Gd2Zr2O7 pyrochlores (GZO) combined with novel nanolayered and thick layered microstructures to enable operation beyond the 1200 C stability limit of current 7 wt% yttria stabilized zirconia (7YSZ) coatings. It was observed that the layered system can reduce the thermal conductivity by approximately 45 percent with respect to YSZ after 20 hr of testing at 1316 C. The erosion rate of GZO is shown to be an order to magnitude higher than YSZ and t' Low-k, but this can be reduced by almost 57 percent when utilizing a nanolayered structure. Lastly, the thermal instability of the layered system is investigated and thought is given to optimization of layer thickness.

Effect of Ion Irradiation in Cadmium Niobate Pyrochlores

International Nuclear Information System (INIS)

Jiang, Weilin; Weber, William J.; Thevuthasan, Suntharampillai; Boatner, Lynn A.

2003-01-01

Irradiation experiments have been performed for cadmium niobate pyrochlore (CdNb2O) single crystals at both 150 and 300 K using 1.0 MeV Au ions over fluences ranging from 0.01 to 0.10 ions/nm. In-situ 3.0 MeV He Rutherford backscattering spectrometry along the -axial channeling direction (RBS/C) has been applied to study the damage states ranging from small defect concentrations to a fully amorphous state. Results show that the crystal can be readily amorphized under the irradiation conditions. Room-temperature recovery of the defects produced at 150 K has been observed, while the defects produced at 300 K are thermally stable at room temperature. Results also indicate that the RBS/C analysis used in this study induced negligible damage in the near-surface regime. In addition, irradiation at and below room temperature using He and C3 ions leads to surface exfoliation at the corresponding damage peaks

Rattling motion in β-pyrochlore compounds explored by the millimeter-wave conductivity measurement

International Nuclear Information System (INIS)

Maeda, Atsutaka; Oba, Kentaro; Imai, Yoshinori; Yamaura, Jun-ichi; Hiroi, Zenji

2010-01-01

Complex conductivity is investigated at 19 GHz and 44 GHz in the normal state in β-pyrochlore materials, AOs 2 O 6 (A = Cs, Rb and K). In Cs material, large enhancement of the quasiparticle (QP) scattering time, τ, is observed at low temperatures, whereas there is no such enhancement in Rb and K materials. This indicates that rattling motion is absent in Cs material, whether in K and Rb materials it plays the role as a scatterer for QPs. In Rb materials, we find charge excitation possibly originated from the rattling motion.

Effects of sintering temperature on the pyrochlore phase in PZT nanotubes and their transformation to the perovskite phase by coating with PbO multilayers.

Science.gov (United States)

Han, Jin Kyu; Choi, Yong Chan; Jeon, Do Hyen; Lee, Min Ku; Bu, Sang Don

2014-11-01

We report the phase evolution of Pb(Zr0.52Ti0.48)O3 nanotubes (PZT-NTs), from the pyrochlore to perovskite phase, with an outer diameter of about 420 nm and a wall thickness of about 10 nm. The PZT-NTs were fabricated in pores of porous anodic alumina membrane (PAM) using a spin coating of PZT sol-gel solution and subsequent annealing at 500-700 degrees C in oxygen gas. The pyrochlore phase was found to be formed at 500 degrees C, and also found not to be transformed into the perovskite phase, even though annealing was performed at higher temperatures to 700 degrees C. Elementary distribution analysis of PZT-NTs embedded in PAM reveal that Pb diffusion from nanotubes into pore walls of PAM is one of the main reasons. By employing firstly an additional PbO coating on the pyrochlore nanotubes and then subsequent annealing at 700 degrees C, we have successfully achieved an almost pure perovskite phase in nanotubes. These results suggest that PbO acts as a Pb-compensation agent in the Pb- deficient PZT-NTs. Moreover, our method can be used in the synthesis of all metal-oxide materials, including volatile elements.

Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

International Nuclear Information System (INIS)

Berndt, G.; Silva, K.L.; Ivashita, F.F.; Paesano, A.; Blanco, M.C.; Miner, E.V.P.; Carbonio, R.E.; Dantas, S.M.; Ayala, A.P.; Isnard, O.

2015-01-01

Highlights: • We prepared monophasic RE 2 FeSbO 7 pyrochlores. • RE 2 FeSbO 7 compounds were characterized regarding crystallographic, vibrational and hyperfine properties. • We find out that a site disorder takes place for the RE’s of larger ionic radii. • Lattice parameters, Raman bands and quadrupole splittings were shown to depend correlatedly on the RE ionic radius. - Abstract: Pyrochlores of the RE 2 FeSbO 7 type were synthesized by ball-milling followed by annealing in free atmosphere at high temperatures. The samples prepared were characterized by X-ray diffraction, Raman spectroscopy and 57 Fe Mössbauer spectroscopy, at room temperature. The results showed that RE 2 FeSbO 7 compounds have a cubic structure, i.e., Fd-3m (#227) space group, and that a site disorder takes place for the RE’s of larger ionic radii. Lattice parameters, Raman bands and quadrupole splittings were shown to depend correlatedly on the RE ionic radius. This behavior is discussed in terms of the pyrochlore crystallographic structure

Photoluminescence properties of ‘red’ emitting La{sub 2}Zr{sub 2}O{sub 7}:Eu pyrochlore ceramics for potential phosphor application

Energy Technology Data Exchange (ETDEWEB)

Mohapatra, M., E-mail: manojm@barc.gov.in; Rajeswari, B.; Hon, N.S.; Kadam, R.M.; Natarajan, V.

2015-10-15

Lanthanum zirconate (La{sub 2}Zr{sub 2}O{sub 7}=LZO) pyrochlores doped with varying concentrations of Eu were synthesized using a low temperature gel-combustion synthesis route and characterized using X-ray diffraction, scanning electron microscopic and photoluminescence techniques. The final annealing temperature of the system could be brought down to 700 °C to produce a single phase compound. In addition, the optimum activator ion concentration for maximum luminescence yield was evaluated for the system. The site occupancy for the Eu ions was also investigated which suggested that at 500 °C, the ions were on the surface of the LZO host and later diffused into the lattice and replaced the La{sup 3+} ions on annealing at 700 °C 5 h. However, due to difference in the ionic radii, the doped RE ions were of the inversion center forming a D{sub 2d} symmetry around them. For the first time the radiative properties and the commercial utility of the LZO system have been investigated. These parameters were used to get an idea about the M–L bond covalency in the system. The radiative properties suggested the system can be used as a potential ‘red’ emitting phosphor. - Highlights: • Synthesis of lanthanum zirconate pyrochlores doped with Eu using gel-combustion route. • Optimization of dopant ion concentration and annealing temperature and evaluation of its local site symmetry. • Evaluation of various photo-physical properties for the Eu-LZO system to investigate the M–L bond covalency. • Investigation of the commercial utility of the system by calculating the color coordinates. • Comparison of the emission properties with commercial sample.

Geometrical frustration in the ferromagnetic pyrochlore Ho₂Ti₂O₇

DEFF Research Database (Denmark)

Harris, M.J.; Bramwell, S.T.; McMorrow, D.F.

1997-01-01

We report a detailed study of the pyrochlore Ho2Ti2O7, in which the magnetic ions (Ho3+) are ferromagnetically coupled with J similar to 1 K. We show that the presence of local Ising anisotropy leads to a geometrically frustrated ground state, preventing long-range magnetic order down to at least 0...

Structural determination of new solid solutions [Y2-x Mx ][Sn2-x Mx ]O7-3x/2 (M = Mg or Zn by Rietveld method

Directory of Open Access Journals (Sweden)

Mohamed Douma

2010-12-01

Full Text Available New [Y2-x Mx][Sn2-x Mx]O7-3x/2 (0 ≤x≤ 0.30 for M = Mg and 0 ≤x≤ 0.36 for M = Zn solid solutions with the pyrochlore structure were synthesized via high-temperature solid-state reaction method. Powder X-ray diffraction (PXRD patterns and Fourier transform infrared (FT-IR spectra showed that these materials are new non-stoichiometric solid solutions with the pyrochlore type structure. The structural parameters for the solids obtained were successfully determined by Rietveld refinement based on the analysis of the PXRD diagrams. Lattice parameter (a of these solid solutions decreases when x increases in both series. All samples obtained have the pyrochlore structure Fd-3m, no. 227 (origin at center -3m with M2+ (M = Mg2+ or Zn2+ cations in Y3+ and Sn4+ sites, thus creating vacancies in the anionic sublattice.

Spin freezing in the geometrically frustrated pyrochlore antiferromagnet Tb2Mo2O7

DEFF Research Database (Denmark)

Gaulin, B.D.; Reimers, J.N.; Mason, T.E.

1992-01-01

The magnetic metal ions in the cubic pyrochlore Tb2Mo2O7 form an infinite three-dimensional network of corner-sharing tetrahedra with a very high potential for frustration in the presence of antiferromagnetism. We have performed neutron scattering measurements which show short-range spatial...... correlations that develop continuously with decreasing temperature, while the characteristic time scale for the fluctuating moments decreases dramatically below T(f) is similar to 25 K. Therefore, this pure material, which possesses frustration that is purely geometrical in origin, displays a spin-glass state...

High-pressure synthesis and characterization of the effective pseudospin S =1 /2 XY pyrochlores R2P t2O7 (R =Er ,Yb )

Science.gov (United States)

Cai, Y. Q.; Cui, Q.; Li, X.; Dun, Z. L.; Ma, J.; dela Cruz, C.; Jiao, Y. Y.; Liao, J.; Sun, P. J.; Li, Y. Q.; Zhou, J. S.; Goodenough, J. B.; Zhou, H. D.; Cheng, J.-G.

2016-01-01

We report on the high-pressure syntheses and detailed characterizations of two effective pseudospin S =1 /2 XY pyrochlores E r2P t2O7 and Y b2P t2O7 via x-ray/neutron powder diffraction, dc and ac magnetic susceptibility, and specific-heat measurements down to 70 mK. We found that both compounds undergo long-range magnetic transitions at TN ,C≈0.3 K , which are ascribed to an antiferromagnetic- and ferromagnetic-type order for E r2P t2O7 and Y b2P t2O7 , respectively, based on the field dependence of their transition temperatures as well as the systematic comparisons with other similar pyrochlores R2B2O7 (R =Er ,Yb ;B =Sn ,Ti ,Ge ). The observed TN of E r2P t2O7 is much lower than that expected from the relationship of TN versus the ionic radius of B4 + derived from the series of E r2B2O7 , while the TC of Y b2P t2O7 is the highest among the series of ferromagnetic compounds Y b2B2O7 (B =Sn ,Pt ,Ti ). Given the monotonic variation of the lattice constant as a function of the B -cation size across these two series of R2B2O7 (R =Er ,Yb ), the observed anomalous values of TN ,C in the Pt-based XY pyrochlores imply that another important factor beyond the nearest-neighbor R -R distance is playing a role. In light of the anisotropic exchange interactions Jex={Jz z,J±,J±±,Jz ± } for the S =1 /2 XY pyrochlores, we have rationalized these observations by considering a weakened (enhanced) antiferromagnetic planar J± (ferromagnetic Ising-like Jz z) due to strong Pt 5 d -O 2 p hybridization within the plane perpendicular to the local [111] direction.

Cluster-Glass Phase in Pyrochlore X Y Antiferromagnets with Quenched Disorder

Science.gov (United States)

Andrade, Eric C.; Hoyos, José A.; Rachel, Stephan; Vojta, Matthias

2018-03-01

We study the impact of quenched disorder (random exchange couplings or site dilution) on easy-plane pyrochlore antiferromagnets. In the clean system, order by disorder selects a magnetically ordered state from a classically degenerate manifold. In the presence of randomness, however, different orders can be chosen locally depending on details of the disorder configuration. Using a combination of analytical considerations and classical Monte Carlo simulations, we argue that any long-range-ordered magnetic state is destroyed beyond a critical level of randomness where the system breaks into magnetic domains due to random exchange anisotropies, becoming, therefore, a glass of spin clusters, in accordance with the available experimental data. These random anisotropies originate from off-diagonal exchange couplings in the microscopic Hamiltonian, establishing their relevance to other magnets with strong spin-orbit coupling.

Emergent Topological Phenomena in Thin Films of Pyrochlore Iridates

Science.gov (United States)

Yang, Bohm-Jung; Nagaosa, Naoto

2014-06-01

Because of the recent development of thin film and artificial superstructure growth techniques, it is possible to control the dimensionality of the system, smoothly between two and three dimensions. In this Letter we unveil the dimensional crossover of emergent topological phenomena in correlated topological materials. In particular, by focusing on the thin film of pyrochlore iridate antiferromagnets grown along the [111] direction, we demonstrate that the thin film can have a giant anomalous Hall conductance, proportional to the thickness of the film, even though there is no Hall effect in 3D bulk material. Moreover, in the case of ultrathin films, a quantized anomalous Hall conductance can be observed, despite the fact that the system is an antiferromagnet. In addition, we uncover the emergence of a new topological phase, the nontrivial topological properties of which are hidden in the bulk insulator and manifest only in thin films. This shows that the thin film of correlated topological materials is a new platform to search for unexplored novel topological phenomena.

Superconductivity mediated by anharmonic phonons: application to β-pyrochlore oxides

Science.gov (United States)

Hattori, Kazumasa; Tsunetsugu, Hirokazu

2010-03-01

We investigate three dimensional anharmonic phonons under tetrahedral symmetry and superconductivity mediated by these phonons. Three dimensional anharmonic phonon spectra are calculated directly by solving Schr"odinger equation and the superconducting transition temperature is determined by using the theory of strong coupling superconductivity assuming an isotropic gap function. With increasing the third order anharmonicity b of the tetrahedral potential, we find a crossover in the energy spectrum to a quantum tunneling regime. We obtain strongly enhanced transition temperatures around the crossover point. The first order transition observed in KOs2O6 is discussed in terms of the first excited state energy δ, and the coupling constant λ in the strong coupling theory of superconductivity. Our results suggest that the decrease of λ and increase of δ below the first order transition temperature. We point out that the change in the oscillation amplitude and characterizes this isomorphic transition. The chemical trends of the superconducting transition temperature, λ, and δ in the β-pyrochlore compounds are also discussed.

Isotope effect on superconductivity and Raman phonons of Pyrochlore Cd2Re2O7

Science.gov (United States)

Razavi, F. S.; Hajialamdari, M.; Reedyk, M.; Kremer, R. K.

2018-06-01

Cd2Re2O7 is the only α-Pyrochlore exhibiting superconductivity with a transition temperature (Tc) of ∼ 1 K. In this study, we present the effect of oxygen isotope (18O) as well as combined 18O and cadmium isotope (116Cd) substitution on the superconductivity and Raman scattering spectrum of Cd2Re2O7. The change of Tc and the energy gap Δ(T) are reported using various techniques including point contact spectroscopy. The shift in Raman phonon frequencies upon isotope substitution will be compared with measurement of the isotope effect on the superconducting transition temperature.

Cooper-pair formation by anharmonic rattling modes in the β-pyrochlore superconductor KOs2O6

Science.gov (United States)

Chang, Jun; Eremin, Ilya; Thalmeier, Peter

2009-05-01

We study the influence of anharmonic rattling phonons in the β-pyrochlore superconductor KOs2O6 using the strong-coupling Eliashberg approach. In particular, by analyzing the specific heat data, we find that the rattling phonon frequency changes discontinuously at the critical temperature of the first-order phase transition. Solving the strong-coupling Eliashberg equations with effective temperature-dependent α2F(ω), we investigate the consequence of this first-order phase transition for the anomalous temperature dependence of the superconducting gap. We discuss our results in the context of the recent experimental data.

All-in-all-out magnetic domain size in pyrochlore iridate thin films as probed by local magnetotransport

Energy Technology Data Exchange (ETDEWEB)

Fujita, T. C.; Uchida, M., E-mail: uchida@ap.t.u-tokyo.ac.jp; Kozuka, Y.; Ogawa, S. [Department of Applied Physics and Quantum-Phase Electronics Center (QPEC), University of Tokyo, Tokyo 113-8656 (Japan); Tsukazaki, A. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); PRESTO, Japan Science and Technology Agency (JST), Tokyo 102-0075 (Japan); Arima, T. [Department of Advanced Materials Science, University of Tokyo, Kashiwa 277-8561 (Japan); RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Kawasaki, M. [Department of Applied Physics and Quantum-Phase Electronics Center (QPEC), University of Tokyo, Tokyo 113-8656 (Japan); RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan)

2016-01-11

Pyrochlore iridates have attracted growing attention because of a theoretical prediction of a possible topological semimetal phase originating from all-in-all-out spin ordering. Related to the topological band structure, recent findings of the magnetic domain wall conduction have stimulated investigations of magnetic domain distribution in this system. Here, we investigate the size of magnetic domains in Eu{sub 2}Ir{sub 2}O{sub 7} single crystalline thin films by magnetoresistance (MR) using microscale Hall bars. Two distinct magnetic domains of the all-in-all-out spin structure are known to exhibit linear MR but with opposite signs, which enables us to estimate the ratio of the two domains in the patterned channel. The linear MR for 80 × 60 μm{sup 2} channel is nearly zero after zero-field cooling, suggesting random distribution of domains smaller than the channel size. In contrast, the wide distribution of the value of the linear MR is detected in 2 × 2 μm{sup 2} channel, reflecting the detectable domain size depending on each cooling-cycle. Compared to simulation results, we estimate the average size of a single all-in-all-out magnetic domain as 1–2 μm.

A novel high-temperature commensurate superstructure in a natural bariopyrochlore: A structural study by means of a multiphase crystal structure refinement

Czech Academy of Sciences Publication Activity Database

Bindi, L.; Petříček, Václav; Withers, R. L.; Zoppi, M.; Bonazzi, P.

2006-01-01

Roč. 179, - (2006), s. 716-725 ISSN 0022-4596 R&D Projects: GA ČR(CZ) GA202/03/0430 Institutional research plan: CEZ:AV0Z10100521 Keywords : pyrochlore * superstructure * X-ray data * multiphase structure refinement * TEM study Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.107, year: 2006

Steering Charge Kinetics of Tin Niobate Photocatalysts: Key Roles of Phase Structure and Electronic Structure.

Science.gov (United States)

Huang, Shushu; Wang, Chunyan; Sun, Hao; Wang, Xiaojing; Su, Yiguo

2018-05-23

Tin niobate photocatalysts with the phase structures of froodite (SnNb 2 O 6 ) and pyrochlore (Sn 2 Nb 2 O 7 ) were obtained by a facile solvothermal method in order to explore the impact of phase structure and electronic structure on the charge kinetics and photocatalytic performance. By employing tin niobate as a model compound, the effects of phase structure over electronic structure, photocatalytic activity toward methyl orange solution and hydrogen evolution were systematically investigated. It is found that the variation of phase structure from SnNb 2 O 6 to Sn 2 Nb 2 O 7 accompanied with modulation of particle size and band edge potentials that has great consequences on photocatalytic performance. In combination with the electrochemical impedance spectroscopy (EIS), transient photocurrent responses, transient absorption spectroscopy (TAS), and the analysis of the charge-carrier dynamics suggested that variation of electronic structure has great impacts on the charge separation and transfer rate of tin niobate photocatalysts and the subsequent photocatalytic performance. Moreover, the results of the X-ray photoelectron spectroscopy (XPS) indicated that the existent of Sn 4+ species in Sn 2 Nb 2 O 7 could result in a decrease in photocatalytic activity. Photocatalytic test demonstrated that the SnNb 2 O 6 (froodite) catalyst possesses a higher photocatalytic activity toward MO degradation and H 2 evolution compared with the sample of Sn 2 Nb 2 O 7 (pyrochlore). On the basis of spin resonance measurement and trapping experiment, it is expected that photogenerated holes, O 2 -• , and OH • active species dominate the photodegradation of methyl orange.

Atomic scale simulations of pyrochlore oxides with a tight-binding variable-charge model: implications for radiation tolerance

International Nuclear Information System (INIS)

Sattonnay, G; Tétot, R

2014-01-01

Atomistic simulations with new interatomic potentials derived from a tight-binding variable-charge model were performed in order to investigate the lattice properties and the defect formation energies in Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 pyrochlores. The main objective was to determine the role played by the defect stability on the radiation tolerance of these compounds. Calculations show that the titanate has a more covalent character than the zirconate. Moreover, the properties of oxygen Frenkel pairs, cation antisite defects and cation Frenkel pairs were studied. In Gd 2 Ti 2 O 7 the cation antisite defect and the Ti-Frenkel pair are not stable: they evolve towards more stable defect configurations during the atomic relaxation process. This phenomenon is driven by a decrease of the Ti coordination number down to five which leads to a local atomic reorganization and strong structural distortions around the defects. These kinds of atomic rearrangements are not observed around defects in Gd 2 Zr 2 O 7 . Therefore, the defect stability in A 2 B 2 O 7 depends on the ability of B atoms to accommodate high coordination number (higher than six seems impossible for Ti). The accumulation of structural distortions around Ti-defects due to this phenomenon could drive the Gd 2 Ti 2 O 7 amorphization induced by irradiation. (paper)

Electrical transport properties of manganese containing pyrochlore type semiconducting oxides using impedance analyses

International Nuclear Information System (INIS)

Sumi, S.; Prabhakar Rao, P.; Mahesh, S.K.; Koshy, Peter

2012-01-01

Graphical abstract: DC conductivity variation of CaCe 1−x Mn x SnNbO 7−δ (x = 0, 0.2, 0.4 and 0.6) with inverse of temperature. Variation of conductivity with Mn concentration at 600 °C is shown in the inset. Display Omitted Highlights: ► We have observed that the structural ordering as well as grain size increase with Mn substitution. ► Impedance analysis proved that a correlated barrier hopping type conduction mechanism is involved in the materials. ► Activation energy as well as electrical conductivity increases with increase in Mn substitution. ► Localization of electrons associated with Mn 2+ and structural ordering are the key factors for the increased activation energy with Mn substitution. ► All the materials showed good NTC thermistor properties. -- Abstract: A new series of manganese containing pyrochlore type semiconducting oxides CaCe 1−x Mn x SnNbO 7−δ (x = 0, 0.2, 0.4 and 0.6) have been synthesized to study the effect of Mn substitution on the structure, microstructure and electrical properties of these samples. X-ray diffraction and scanning electron microscopy studies revealed an increase of structural ordering and grain size respectively with increase of Mn substitution. Rietveld analysis and Raman spectroscopy were also employed to corroborate the XRD results. The bulk resistance measurements with temperature exhibit negative temperature coefficient behavior. The impedance analysis of the samples revealed a non-Debye type relaxation existed in the materials. The ac conductivity variation with temperature and frequency indicates a correlated barrier hopping type conduction mechanism in these materials. The barrier height and the intersite separation for hopping influence the electrical conductivity of these samples and are found to be a function of localization of electrons associated with the Mn 2+ ions and the unit cell volume respectively. The Mn substitution increases both electrical conductivity and activation energy

High throughput synthesis and characterization of the PbnNb2O5+n (0.5 < n < 4.1) system on a single chip

International Nuclear Information System (INIS)

Mirsaneh, Mehdi; Hayden, Brian E.; Miao Shu; Pokorny, Jan; Perini, Steve; Furman, Eugene; Lanagan, Michael T.; Ubic, Rick; Reaney, Ian M.

2011-01-01

Most high throughput studies focus on assessing the effect of composition within a single known fundamental structure type, such as perovskite. Here we demonstrate how high throughput synthesis and screening can be used to establish structure-property relations in the PbO-Nb 2 O 5 system, for which eight distinct fundamental structure types are known to exist. PbNb 4 O 11 , PbNb 2 O 6 and pyrochlore could be easily distinguished by X-ray diffraction (XRD). However, XRD was insensitive to distortions of the pyrochlore structure and instead Raman spectroscopy was utilized to determine changes in symmetry from cubic to rhombohedral as the PbO concentration increased. High throughput screening of the capacitance revealed permittivity (ε r ) maxima in the PbNb 4 O 11 (ε r = 700) and cubic pyrochlore phases (ε r = 450). The ε r of PbNb 4 O 11 has not to date been reported but the value for cubic pyrochlore is higher than that reported for bulk ceramics (ε r = 270). Initial high electric field studies also revealed exceptionally high tunability (four times that reported for bismuth zinc niobate-based pyrochlores) of the capacitance in the pyrochlore phase.

Preparation, structural characterization, and enhanced electrical conductivity of pyrochlore-type (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} ceramics

Energy Technology Data Exchange (ETDEWEB)

Xia, X.L. [Institute for Advanced Ceramics, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin (China); Institute of Oceanography Instruments, Shandong Academy of Science, Chinese National Engineering Research Center for Marine Monitoring Equipment, Qingdao (China); Liu, Z.G.; Ouyang, J.H. [Institute for Advanced Ceramics, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin (China); Zheng, Y. [Institute of Oceanography Instruments, Shandong Academy of Science, Chinese National Engineering Research Center for Marine Monitoring Equipment, Qingdao (China)

2012-08-15

(Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} (0 {<=} x {<=} 1.0) samples are prepared by solid state reaction method using Sm{sub 2}O{sub 3}, Eu{sub 2}O{sub 3}, and ZrO{sub 2} as starting materials. The phase composition and microstructure of (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} ceramics are investigated by X-ray diffraction (XRD), scanning electron microscopy, high-resolution transmission electron microscopy (HRTEM) coupled with selected area electron diffraction and Raman spectroscopy. XRD and TEM show that all the samples exhibit a single pyrochlore-type structure. HRTEM observation indicates that the whole grain interior of Sm{sub 2}Zr{sub 2}O{sub 7} ceramic is a perfect crystal free of any dislocation. Raman spectroscopy reveals that the degree of structural disorder of (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} ceramics increases gradually with increasing Eu content. The electrical conductivity of (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} ceramics is investigated by impedance spectroscopy in the air and hydrogen atmospheres, respectively. The electrical conductivity of (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} ceramics increases with increasing Eu content at identical temperature levels. Both the activation energy E{sub g} and the pre-exponential factor {sigma}{sub 0g} for the grain conductivity gradually increase with increasing Eu content. As the ionic conductivity shows no obvious change in both air and hydrogen atmospheres, the conduction of (Sm{sub 1-x}Eu{sub x}){sub 2}Zr{sub 2}O{sub 7} is purely ionic with negligible electronic conduction. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study of the nearly constant dielectric loss regime in ionic conductors with pyrochlore-like structure; Estudio del regimen de perdidas dielectricas constantes en conductores ionicos con estructura de tipo pirocloro

Energy Technology Data Exchange (ETDEWEB)

Diaz-Guillen, M. r.; Fuentes, A. F.; Diaz-Guillen, J. a.; Santamaria, J.; Leon, C.

2012-07-01

We report on ac conductivity measurement of oxide ion conductors with composition Gd{sub 2}(ZryTi{sub 1}-y){sub 2}O{sub 7} and a pyrochlore type structure, at temperatures between -20 and 250 degree centigrade and in the frequency range from 1 Hz to 3 MHz by using impedance spectroscopy. Results show that a crossover from a power law dependence to a linear frequency dependence (or nearly constant loss behavior) in the ac conductivity can be clearly observed in a wide temperature range. This crossover is found to be thermally activated, and its activation energy ENCL to be much lower than the activation energy Edc for the dc conductivity. We also found that the values of ENCL are almost independent of composition, and therefore of the concentration of mobile oxygen vacancies, unlike those of Edc. Moreover, for each composition, the values of E{sub N}CL=0.67{+-}0.04 eV are very similar to those estimated for the energy barrier for the ions to leave their cages, E{sub {alpha}}=0.69{+-}0.05 eV. These results support that the nearly constant loss behavior, ubiquitous in ionic conductors, is originated from caged ion dynamics. (Author) 33 refs.

Final disposal room structural response calculations

International Nuclear Information System (INIS)

Stone, C.M.

1997-08-01

Finite element calculations have been performed to determine the structural response of waste-filled disposal rooms at the WIPP for a period of 10,000 years after emplacement of the waste. The calculations were performed to generate the porosity surface data for the final set of compliance calculations. The most recent reference data for the stratigraphy, waste characterization, gas generation potential, and nonlinear material response have been brought together for this final set of calculations

Quantum Spin Ice under a [111] Magnetic Field: From Pyrochlore to Kagome.

Science.gov (United States)

Bojesen, Troels Arnfred; Onoda, Shigeki

2017-12-01

Quantum spin ice, modeled for magnetic rare-earth pyrochlores, has attracted great interest for hosting a U(1) quantum spin liquid, which involves spin-ice monopoles as gapped deconfined spinons, as well as gapless excitations analogous to photons. However, the global phase diagram under a [111] magnetic field remains open. Here we uncover by means of unbiased quantum Monte Carlo simulations that a supersolid of monopoles, showing both a superfluidity and a partial ionization, intervenes the kagome spin ice and a fully ionized monopole insulator, in contrast to classical spin ice where a direct discontinuous phase transition takes place. We also show that on cooling, kagome spin ice evolves towards a valence-bond solid similar to what appears in the associated kagome lattice model [S. V. Isakov et al., Phys. Rev. Lett. 97, 147202 (2006)PRLTAO0031-900710.1103/PhysRevLett.97.147202]. Possible relevance to experiments is discussed.

First-principles study of strong correlation effects in pyrochlore iridates

Energy Technology Data Exchange (ETDEWEB)

Shinaoka, Hiroshi [Department of Physics, Saitama University (Japan); Hoshino, Shintaro [Department of Basic Science, The University of Tokyo (Japan); Troyer, Matthias [Theoretische Physik, ETH Zuerich (Switzerland); Werner, Philipp [Department of Physics, University of Fribourg (Switzerland)

2016-07-01

The pyrochlore iridates A{sub 2}Ir{sub 2}O{sub 7} (A=Pr, Nd, Y, etc.) are an ideal system to study fascinating phenomena induced by strong electron correlations and spin-orbit coupling. In this talk, we study strong correlation effects in the prototype compound Y{sub 2}Ir{sub 2}O{sub 7} using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, onsite Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in/all-out ordered insulating phase is stable for realistic values of U. We reveal the importance of the hybridization between j{sub eff} = 1/2 and j{sub eff} = 3/2 states under the Coulomb interaction and trigonal crystal field. We demonstrate a substantial band narrowing in the paramagnetic metallic phase and non-Fermi liquid behavior in the electron/hole doped system originating from long-lived quasi-spin moments induced by nearly flat bands. We further compare our results with recent experimental results of Eu{sub 2}Ir{sub 2}O{sub 7} under hydrostatic pressure.

Catalytic Oxidation of Soot on a Novel Active Ca-Co Dually-Doped Lanthanum Tin Pyrochlore Oxide

Directory of Open Access Journals (Sweden)

Lijie Ai

2018-04-01

Full Text Available A novel active Ca-Co dually-doping pyrochlore oxide La2−xCaxSn2−yCoyO7 catalyst was synthesized by the sol-gel method for catalytic oxidation of soot particulates. The microstructure, atomic valence, reduction, and adsorption performance were investigated by X-ray powder diffraction (XRD, scanning electron microscope (SEM, Fourier-transform infrared spectroscopy (FT-IR, X-ray photoelectron spectroscopy (XPS, H2-TPR (temperature-programmed reduction, and in situ diffuse reflection infrared Fourier transformed (DRIFTS techniques. Temperature programmed oxidation (TPO tests were performed with the mixture of soot-catalyst under tight contact conditions to evaluate the catalytic activity for soot combustion. Synergetic effect between Ca and Co improved the structure and redox properties of the solids, increased the surface oxygen vacancies, and provided a suitable electropositivity for oxide, directly resulting in the decreased ignition temperature for catalyzed soot oxidation as low as 317 °C. The presence of NO in O2 further promoted soot oxidation over the catalysts with the ignition temperature decreased to about 300 °C. The DRIFTS results reveal that decomposition of less stable surface nitrites may account for NO2 formation in the ignition period of soot combustion, which thus participate in the auxiliary combustion process.

Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series

International Nuclear Information System (INIS)

Aughterson, Robert D.; Lumpkin, Gregory R.; Reyes, Massey de los; Sharma, Neeraj; Ling, Christopher D.; Gault, Baptiste; Smith, Katherine L.; Avdeev, Maxim; Cairney, Julie M.

2014-01-01

A series of single phase compounds with nominal stoichiometry Sm (x) Yb (2−x) TiO 5 (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln 2 TiO 5 series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6 3 /mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm 0.6 Yb 1.4 TiO 5 showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The ideal crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm 0.6 Yb 1.4 TiO 5 ). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm 2 TiO 5 . • Systematic study of crystal structure types within Ln 2 TiO 5 series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures

Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials. Final Report

International Nuclear Information System (INIS)

Lindle, Dennis W.

2011-01-01

Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate 'real' waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

Cofiring behavior and interfacial structure of NiCuZn ferrite/PMN ferroelectrics composites for multilayer LC filters

International Nuclear Information System (INIS)

Miao Chunlin; Zhou Ji; Cui Xuemin; Wang Xiaohui; Yue Zhenxing; Li Longtu

2006-01-01

The cofiring behavior, interfacial structure and cofiring migration between NiCuZn ferrite and lead magnesium niobate (PMN)-based relaxor ferroelectric materials were investigated via thermomechanical analyzer (TMA), X-ray diffractometer (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Mismatched sintering shrinkage between NiCuZn ferrite and PMN was modified by adding an appropriate amount of sintering aids, Bi 2 O 3 , into NiCuZn ferrite. Pyrochlore phase appeared in the mixture of NiCuZn ferrite and PMN, which is detrimental to the final electric properties of LC filters. EDS results indicated that the interdiffusion at the heterogeneous interfaces in the composites, such as Fe, Pb, Zn, existed which can strengthen combinations between ferrite layers and ferroelectrics layers

Nanostructured KTaTeO6 and Ag-doped KTaTeO6 Defect Pyrochlores: Promising Photocatalysts for Dye Degradation and Water Splitting

Science.gov (United States)

Venkataswamy, Perala; Sudhakar Reddy, CH.; Gundeboina, Ravi; Sadanandam, Gullapelli; Veldurthi, Naveen Kumar; Vithal, M.

2018-03-01

In this study, the nanostructured parent KTaTeO6 (KTTO) and Ag-doped KTaTeO6 (ATTO) catalysts with defect pyrochlore structure were prepared by solid-state and ion-exchange methods, respectively. The synthesized materials were characterized by various techniques to determine their chemical composition, morphology and microstructural features. The XRD studies show that both KTTO and ATTO have cubic structure (space group Fd3m) with high crystallinity. The doping of Ag altered the BET surface area of parent KTTO. The nano nature of the samples was studied by TEM images. A considerable red-shift in the absorption edge is observed for ATTO compared to KTTO. Incorporation of Ag+ in the KTTO lattice is clearly identified from EDX, elemental mapping and XPS results. Degradation of methyl violet and solar water splitting reactions were used to access the photocatalytic activity of KTTO and ATTO. The results obtained suggest that compared to KTTO, the ATTO showed higher photocatalytic activity in both cases. The favourable properties such as high surface area, more surface hydroxyl groups, stronger light absorption in visible region and narrower band gap energy were supposed to be the reasons for the high activity observed in ATTO.

Diffraction and spectroscopic study of pyrochlores Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Zhou, Qingdi; Blanchard, Peter E.R. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Kennedy, Brendan J., E-mail: kennedyb@chem.usyd.edu.au [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Ling, Chris D.; Liu, Samuel [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Max [Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234 (Australia); Aitken, Jade B. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia); Institute of Materials Structure Science, KEK, Tsukuba, Ibaraki 305-0801 (Japan); School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Tadich, Anton; Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

2014-03-15

Highlights: • Fe rich pyrochlores of the type Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7} were prepared by solid state methods. • Structures determined using a combination of neutron and synchrotron X-ray diffraction. • Fe partially occupies the 8-coordinate site. • Dispacive disorder of the Bi cations observed as a consequence of the 6s{sup 2} electrons. • Non-Vegard behaviour seen at low Fe contents due to disorder. -- Abstract: The structural and electronic properties of the series Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7} (0 ⩽ x ⩽ 0.6) were investigated using a combination of diffraction and spectroscopy. Synchrotron and neutron diffraction analysis show that Fe{sup 3+} cations substitute for Bi{sup 3+} onto the A site with increasing x, which was further confirmed by analysis of the Fe K/L-edge X-ray absorption near-edge spectra. The diffraction analysis indicated the presence of displacive disorder along the A{sub 2}O chains, likely the result of the Bi{sup 3+} 6s{sup 2} lone pair, as well as non-Vegard-like behaviour of the lattice parameters in the Fe-poor region. Fe K-edge extended X-ray absorption fine-structure analysis of Bi{sub 2}FeSbO{sub 7} confirmed the displacive disorder of the Bi{sup 3+} cations as well as Sb{sup 5+} and Fe{sup 3+} disorder on the B site.

Synthesis and electrical properties of the pyrochlore-type Gd2-yLayZr2O7 solid solution

Directory of Open Access Journals (Sweden)

León, C.

2008-06-01

Full Text Available Different compositions in the pyrochlore-type Gd2-yLayZr2O7 solid solution (0 ≤ y ≤ 1 were prepared at room-temperature by mechanically milling stoichiometric mixtures of the corresponding oxides. Irrespective of their lanthanum content, as-prepared powder samples consist of single-phase anion deficient fluorite materials, although long-range ordering of cations and anion vacancies characteristic of pyrochlores was observed in all cases after firing the samples at 1500°C. Interestingly, activation energy for oxygen migration in the series decreases as La-content increases, from 1.13 eV for Gd2Zr2O7 to 0.81 eV for GdLaZr2O7, whereas ionic conductivity was found to be almost La-content independent, at least for y ≤ 0.8 at T = 500°C and y ≤ 0.4 at T = 800°C. These results are explained in terms of weaker ion-ion interactions in better ordered structures (i.e., as La-content increases and highlight the importance of structural ordering/disordering in determining the dynamics of mobile oxygen ions.Partiendo de mezclas estequiométricas de los óxidos correspondientes, se prepararon por molienda mecánica y a temperatura ambiente diferentes composiciones en la solución sólida Gd2-yLayZr2O7 (0 ≤ y ≤ 1 con estructura de tipo pirocloro y conductora de iones oxígeno. Independientemente del contenido de lantano, los polvos extraídos del molino presentaron difractogramas similares al de una fluorita no estequiométrica aunque en todos los casos, el tratamiento térmico a 1500°C indujo la aparición del ordenamiento de largo alcance de cationes y vacancias aniónicas característico de pirocloros. La energía de activación para el proceso de migración de iones oxígeno en la serie disminuye a medida que se incrementa el contenido de lantano, desde 1.13 eV de Gd2Zr2O7 hasta 0.81 eV de GdLaZr2O7, mientras que la conductividad resultó ser prácticamente independiente del mismo hasta y ≤ 0.8 para T = 500°C e y ≤ 0.4 para T = 800�

Sudden Disappearance of the First-Order Transition in β-Pyrochlore KOs2O6 under Low Pressure

Science.gov (United States)

Umeo, Kazunori; Kubo, Hirokazu; Yamaura, Jun-ichi; Hiroi, Zenji; Takabatake, Toshiro

2009-12-01

We report the first observation of the pressure effect on the first-order transition at Tp = 7.5 K in the β-pyrochlore oxide superconductor KOs2O6 by specific-heat measurement. The peak in the specific heat at Tp disappeared at a low pressure of 0.02 GPa. With increasing pressure up to 0.02 GPa, the coefficient of the T5 dependence of the specific heat increases by 30%. This finding implies that low-energy excitations of phonons are enhanced by the suppression of the first-order transition. However, the specific-heat jump at Tc is unchanged with pressure up to 1 GPa, indicating that the strong coupling superconductivity is rather robust under pressure.

Absence of magnetic long-range order in Y2CrSbO7 : Bond-disorder-induced magnetic frustration in a ferromagnetic pyrochlore

Science.gov (United States)

Shen, L.; Greaves, C.; Riyat, R.; Hansen, T. C.; Blackburn, E.

2017-09-01

The consequences of random nonmagnetic-ion dilution for the pyrochlore family Y2(M 1 -xN x)2O7 (M = magnetic ion, N = nonmagnetic ion) have been investigated. As a first step, we experimentally examine the magnetic properties of Y2CrSbO7 (x =0.5 ), in which the magnetic sites (Cr3 +) are percolative. Although the effective Cr-Cr spin exchange is ferromagnetic, as evidenced by a positive Curie-Weiss temperature, ΘCW ≃19.5 K , our high-resolution neutron powder diffraction measurements detect no sign of magnetic long-range order down to 2 K. In order to understand our observations, we construct a lattice model to numerically study the bond disorder introduced by the ionic size mismatch between M and N , which reveals that the bond disorder percolates at xb ≃0.23 , explaining the absence of magnetic long-range order. This model could be applied to a series of frustrated magnets with a pyrochlore sublattice, for example, the spinel compound Zn (Cr1 -xGax )2O4 , wherein a Néel to spin glass phase transition occurs between x =0.2 and 0.25 [Lee et al., Phys. Rev. B 77, 014405 (2008), 10.1103/PhysRevB.77.014405]. Our study stresses the non-negligible role of bond disorder on magnetic frustration, even in ferromagnets.

First-principles calculation of structural and energetic properties for A2Ti2O7 (A = Lu, Er, Y, Gd, Sm, Nd, La)

International Nuclear Information System (INIS)

Zhang, Z.L.; Xiao, H.Y.; Zu, Xiaotao T.; Gao, Fei; Weber, William J.

2009-01-01

A first-principles method has been employed to investigate the structural and energetic properties for A2Ti2O7 (A = Lu, Er, Y, Gd, Sm, Nd, La), including the formation energies of the cation antisite-pair, the anion Frenkel pair that defines anion-disorder, and the coupled cation antisite-pair/anion-Frenkel. It is proposed that the interaction may have more significant influence on the radiation resistance behavior of titanate pyrochlores, although the interactions are relatively much stronger than the interactions. It is found that the defect formation energies are not simple functions of the A-site cation radii. The formation energy of the cation antisite-pair increases continuously as the A-site cation varies from Lu to Gd, and then decreases continuously with the variation of the A-site cation from Gd to La, in excellent agreement with the radiation-resistance trend of the titanate pyrochlores. The band gaps in these pyrochlores were also measured, and the band gap widths changed continuously with cation radius.

Synthesis and characterization of Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} pyrochlore sun-light-responsive photocatalyst

Energy Technology Data Exchange (ETDEWEB)

Naceur, Benhadria, E-mail: nacer1974@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Abdelkader, Elaziouti, E-mail: elaziouti_a@yahoo.com [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Nadjia, Laouedj, E-mail: nlaouedj@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Sellami, Mayouf, E-mail: Mourad7dz@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Noureddine, Bettahar, E-mail: nbettahar2001@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria)

2016-02-15

Graphical abstract: Heterogeneous photo Fenton process with dye sensitized mechanism of RhB by Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} compound. - Highlights: • Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} (BSCO) catalyst was synthesized by improved solid state reaction method. • BSCO/H{sub 2}O{sub 2}/UVA and BSCO/H{sub 2}O{sub 2}/SL catalyst systems exhibit excellent photocatalytic activities for rhodamine B. • The photocatalytic degradation was preceded via heterogeneous photo Fenton mechanism process. • ·OH radicals are the main reactive species for the degradation of RhB. - Abstract: Novel nanostructure pyrochlore Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} was successfully synthesized via solid state reaction method in air. The as-synthesized photocatalyst was characterized by X-ray diffraction, Scanning electron microscopy and UV–vis diffuse reflectance spectroscopy techniques. The results showed that the BSCO was crystallized with the pyrochlore-type structure, cubic crystal system and space group Fd3m. The average particle size and band gap for BSCO were D = 76.29 nm and E{sub g} = 1.50 eV respectively. Under the optimum conditions for discoloration of the dye: initial concentration of 20 mg L{sup −1} RhB, pH 7, 25 °C, 0.5 mL H{sub 2}O{sub 2} and BSCO/dye mass ration of 1 g L{sup −1}, 97.77 and 90.16% of RhB were removed with BSCO/H{sub 2}O{sub 2} photocatalytic system within 60 min of irradiation time under UVA- and SL irradiations respectively. Pseudo-second-order kinetic model gave the best fit, with highest correlation coefficients (R{sup 2} ≥ 0.99). On the base of these results, the mechanism of the enhancement of the discoloration efficiency was discussed. .

Raman effect in ferroelectric Cd2Nb2O7 and in other crystals with pyrochlorine-type structure

International Nuclear Information System (INIS)

Pisarev, R.V.; Sinij, I.G.; Kuz'minov, E.G.; Myl'nikova, I.E.

1976-01-01

Vibrational structure of cadmium and lead pyroniobates and a number of other crystals with a pyrochlore structure has been investigated by Raman scattering. The scattering has been studied using a double monochromator, HeNe laser, and a photons counter. In the Raman spectrum of cadmium and lead pyroniobates three frequency band1 can be distinguished. In the spectrum of rhombohedral lead pyroniobate the band structure in resolved much better than in the spectrum of cubic cadmium pyroniobate. The spectrum of lead pyroniobate crystals doped with magnesium and zinc ions has a medium (in the sense of complexity) structure, because big lead ions deteriorate the pyrochlore structure but doping of lead pyroniobate with Mg 2+ and Zn 2+ ions improves it. More than six bands in the Raman spectrum is associated with the presence of impurities in cubic cadmium pyroniobate that deteriorate its cubic structure. The decrease of temperature leads to a big change of the Cd 2 Nb 2 O 7 spectrum. However, the spectrum of Pb 2 Nb 2 O 7 -Zn cubic crystal measured ar temperatures below 100 deg K remais unchanged. The chages of the Cd 2 Nb 2 O 7 spectrum are associated with phase transitions at 200 and 85 K and also with ferroelectric transition at 185 K

Observation of magnetic polarons in the magnetoresistive pyrochlore Lu2V2O7

International Nuclear Information System (INIS)

Storchak, Vyacheslav G; Brewer, Jess H; Eshchenko, Dmitry G; Mengyan, Patrick W; Zhou Haidong; Wiebe, Christopher R

2013-01-01

Materials that exhibit colossal magnetoresistance (CMR) have attracted much attention due to their potential technological applications. One particularly interesting model for the magnetoresistance of low-carrier-density ferromagnets involves mediation by magnetic polarons (MP)—electrons localized in nanoscale ferromagnetic ‘droplets’ by their exchange interaction. However, MP have not previously been directly detected and their size has been difficult to determine from macroscopic measurements. In order to provide this crucial information, we have carried out muon spin rotation measurements on the magnetoresistive semiconductor Lu 2 V 2 O 7 in the temperature range from 2 to 300 K and in magnetic fields up to 7 T. Magnetic polarons with characteristic radius R ≈ 0.4 nm are detected below about 100 K, where Lu 2 V 2 O 7 exhibits CMR; at higher temperature, where the magnetoresistance vanishes, these MP also disappear. This observation confirms the MP-mediated model of CMR and reveals the microscopic size of the MP in magnetoresistive pyrochlores. (paper)

Dielectric and magnetic properties, and electronic structure of multiferroic perovskite PbFe.sub.0.5./sub.Ta.sub.0.5./sub.O.sub.3./sub. and incipient ferroelectric pyrochlore Pb.sub.2./sub.Fe.sub.0.34./sub.Ta.sub.1.84./sub.O.sub.7.11./sub. single crystals and ceramics

Czech Academy of Sciences Publication Activity Database

Kania, A.; Miga, S.; Talik, E.; Gruszka, I.; Szubka, M.; Savinov, Maxim; Prokleška, J.; Kamba, Stanislav

2016-01-01

Roč. 36, č. 14 (2016), s. 3369-3381 ISSN 0955-2219 R&D Projects: GA ČR GA15-08389S Institutional support: RVO:68378271 Keywords : lead iron tantalate * perovskite multiferroic * pyrochlore * incipient ferroelectric * X-ray photoelectron spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.411, year: 2016

First-principles study on cubic pyrochlore iridates Y2Ir2O7 and Pr2Ir2O7

International Nuclear Information System (INIS)

Ishii, Fumiyuki; Mizuta, Yo Pierre; Kato, Takehiro; Ozaki, Taisuke; Weng Hongming; Onoda, Shigeki

2015-01-01

Fully relativistic first-principles electronic structure calculations based on a noncollinear local spin density approximation (LSDA) are performed for pyrochlore iridates Y 2 Ir 2 O 7 and Pr 2 Ir 2 O 7 . The all-in, all-out antiferromagnetic (AF) order is stablized by the on-site Coulomb repulsion U > U c in the LSDA+U scheme, with U c ∼ 1.1 eV and 1.3 eV for Y 2 Ir 2 O 7 and Pr 2 Ir 2 O 7 , respectively. AF semimetals with and without Weyl points and then a topologically trivial AF insulator successively appear with further increasing U. For U = 1.3 eV, Y 2 Ir 2 O 7 is a topologically trivial narrow-gap AF insulator having an ordered local magnetic moment ∼0.5μ B /Ir, while Pr 2 Ir 2 O 7 is barely a paramagnetic semimetal with electron and hole concentrations of 0.016/Ir, in overall agreements with experiments. With decreasing oxygen position parameter x describing the trigonal compression of IrO 6 octahedra, Pr 2 Ir 2 O 7 is driven through a non-Fermi-liquid semimetal having only an isolated Fermi point of Γ 8 + , showing a quadratic band touching, to a Z 2 topological insulator. (author)

Investigations of the magnetic properties in the pyrochlore Ho{sub 2}Ti{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Schoenemann, Rico; Herrmannsdoerfer, Thomas; Green, Elizabeth Lauren; Wang, Zhaosheng; Wosnitza, Joachim [Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); Skrotzki, Richard [Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); Department of Chemistry and Food Chemistry, TU Dresden, Dresden (Germany); Kaneko, Hiroshi; Suzuki, Haruhiko [Faculty of Mathematics and Physics, Kanazawa University, Kanazawa (Japan)

2013-07-01

Pyrochlore compounds such as R{sub 2}Ti{sub 2}O{sub 7} (where R is Ho or Dy) have an highly degenerate ground state where the R{sup 3+} moments obey the ''ice rules''. This provides access to study extraordinary physical phenomena, like the formation of magnetic monopoles. Recent publications evidence monopoles which can be probed using high frequency (adiabatic) susceptibility measurements. We performed ac susceptibility measurements on a single-crystal Ho{sub 2}Ti{sub 2}O{sub 7} sample at low temperatures down to 30 mK and magnetic fields up to 14 T. Based on isothermal frequency sweeps we were able to determine spin relaxation rates. Both the real and imaginary parts of the temperature-dependent magnetic susceptibility measurements show the spins freezing below 1 K and provide insight into the magnetic-monopole density.

Pseudo-Goldstone Magnons in the Frustrated S=3/2 Heisenberg Helimagnet ZnCr_{2}Se_{4} with a Pyrochlore Magnetic Sublattice

Directory of Open Access Journals (Sweden)

Y. V. Tymoshenko

2017-11-01

Full Text Available Low-energy spin excitations in any long-range ordered magnetic system in the absence of magnetocrystalline anisotropy are gapless Goldstone modes emanating from the ordering wave vectors. In helimagnets, these modes hybridize into the so-called helimagnon excitations. Here we employ neutron spectroscopy supported by theoretical calculations to investigate the magnetic excitation spectrum of the isotropic Heisenberg helimagnet ZnCr_{2}Se_{4} with a cubic spinel structure, in which spin-3/2 magnetic Cr^{3+} ions are arranged in a geometrically frustrated pyrochlore sublattice. Apart from the conventional Goldstone mode emanating from the (0 0 q_{h} ordering vector, low-energy magnetic excitations in the single-domain proper-screw spiral phase show soft helimagnon modes with a small energy gap of ∼0.17  meV, emerging from two orthogonal wave vectors (q_{h} 0 0 and (0 q_{h} 0 where no magnetic Bragg peaks are present. We term them pseudo-Goldstone magnons, as they appear gapless within linear spin-wave theory and only acquire a finite gap due to higher-order quantum-fluctuation corrections. Our results are likely universal for a broad class of symmetric helimagnets, opening up a new way of studying weak magnon-magnon interactions with accessible spectroscopic methods.

Structural, photoluminescence and radioluminescence properties of Eu{sup 3+} doped La{sub 2}Hf{sub 2}O{sub 7} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Wahid, Kareem; Pokhrel, Madhab; Mao, Yuanbing, E-mail: yuanbing.mao@utrgv.edu

2017-01-15

This study presents the structural, optical, and radioluminescent characterization of newly synthesized europium-doped lanthanum hafnate (La{sub 2}Hf{sub 2}O{sub 7}:xmol%Eu{sup 3+}, x=0 to 35) nanoparticles (NPs) for use as phosphors and scintillation materials. Samples prepared through a combined co-precipitation and molten salt synthetic process were found to crystalize in the pyrochlore phase, a radiation tolerant structure related to the fluorite structure. These samples exhibit red luminescence under ultraviolet and X-ray excitation. Under these excitations, the optical intensity and quantum yield of the La{sub 2}Hf{sub 2}O{sub 7}:xmol%Eu{sup 3+} NPs depend on the Eu{sup 3+} concentration and are maximized at 5%. It is proposed that there is a trade-off between the quenching due to defect states/cross-relaxation and dopant concentration. An optimal dopant concentration allows the La{sub 2}Hf{sub 2}O{sub 7}:5 mol%Eu{sup 3+} NPs to show the best luminescent properties of all the samples. - Graphical abstract: Incident X-ray and UV photons interact with La{sub 2}Hf{sub 2}O{sub 7}: xmol%Eu{sup 3+}(x=1–35) nanoparticles (NPs) to yield strong red luminescence centered at 612 nm. Colored spheres inside NP diagram represent pyrochlore coordination environment of La{sub 2}Hf{sub 2}O{sub 7}:xmol%Eu{sup 3+}. Blue, red, yellow, green and black spheres represent hafnium(IV) atoms, lanthanum(III)/europium(III) atoms, oxygen atoms at 48f site, oxygen atoms at 8b site and oxygen vacancies, respectively. - Highlights: • La{sub 2}Hf{sub 2}O{sub 7}:xmol%Eu{sup 3+} (x=0–35) nanoparticles with weakly-ordered pyrochlore structures were synthesized. • Optically and X-ray excited emission spectra showed strong luminescence centered at 612 nm. • Photoluminescence quantum yield increases with doping concentration up to 5% and decreases at higher concentrations.

Spin correlations in the pyrochlore slab compounds Ba2Sn2Ga10-7pZnCr7pO22

International Nuclear Information System (INIS)

Bonnet, P; Payen, C; Mutka, H; Danot, M; Fabritchnyi, P; Stewart, J R; Mellergaard, A; Ritter, C

2004-01-01

The low-temperature properties of a diluted antiferromagnetic pyrochlore slab of S = 3/2 spins are investigated through a study of the frustrated oxides Ba 2 Sn 2 Ga 10-7p ZnCr 7p O 22 (p>0.85). Powder neutron diffraction and 119 Sn Moessbauer absorption show no evidence of long-range magnetic order above 1.5 K. As in SrCr 9q Ga 12-9q O 19 , diffuse magnetic scattering, indicative of short range spin-spin correlations, is observed at low temperature. The dependence of the low-temperature sub-Curie bulk susceptibility to weak site depletion is the inverse of that observed in SrCr 9q Ga 12-9q O 19

UV laser micromachining of piezoelectric ceramic using a pulsed Nd:YAG laser

International Nuclear Information System (INIS)

Zeng, D.W.; Xie, C.S.; Li, K.; Chan, H.L.W.; Choy, C.L.; Yung, K.C.

2004-01-01

UV laser (λ=355 nm) ablation of piezoelectric lead zirconate titanate (PZT) ceramics in air has been investigated under different laser parameters. It has been found that there is a critical pulse number (N=750). When the pulse number is smaller than the critical value, the ablation rate decreases with increasing pulse number. Beyond the critical value, the ablation rate becomes constant. The ablation rate and concentrations of O, Zr and Ti on the ablated surface increase with the laser fluence, while the Pb concentration decreases due to the selective evaporation of PbO. The loss of the Pb results in the formation of a metastable pyrochlore phase. ZrO 2 was detected by XPS in the ablated zone. Also, the concentrations of the pyrochlore phase and ZrO 2 increase with increasing laser fluence. These results clearly indicate that the chemical composition and phase structure in the ablated zone strongly depend on the laser fluence. The piezoelectric properties of the cut PZT ceramic samples completely disappear due to the loss of the Pb and the existence of the pyrochlore phase. After these samples were annealed at 1150 C for 1 h in a PbO-controlled atmosphere, their phase structure and piezoelectric properties were recovered again. Finally, 1-3 and concentric-ring 2-2 PZT/epoxy composites were fabricated by UV laser micromachining and their thickness modes were measured by impedance spectrum analysis and a d 33 meter. Both composites show high piezoelectric properties. (orig.)

Comparison of the Supercooled Spin Liquid States in the Pyrochlore Magnets Dy2Ti2O7 and Ho2Ti2O7

Science.gov (United States)

Eyal, Anna; Eyvazov, Azar B.; Dusad, Ritika; Munsie, Timothy J. S.; Luke, Graeme M.; Davis, J. C. Séamus

Despite a well-ordered crystal structure and strong magnetic interactions between the Dy or Ho ions, no long-range magnetic order has been detected in the pyrochlore titanates Ho2Ti2O7 and Dy2Ti2O7. The low temperature state in these materials is governed by spin-ice rules. These constrain the Ising like spins in the materials, yet does not result in a global broken symmetry state. To explore the actual magnetic phases, we simultaneously measure the time- and frequency-dependent magnetization dynamics of Dy2Ti2O7 and Ho2Ti2O7 using toroidal, boundary-free magnetization transport techniques. We demonstrate a distinctive behavior of the magnetic susceptibility of both compounds, that is indistinguishable in form from the permittivity of supercooled dipolar liquids. Moreover, we show that the microscopic magnetic relaxation times for both materials increase along a super-Arrhenius trajectory also characteristic of supercooled glass-forming liquids. Both materials therefore exhibit characteristics of a supercooled spin liquid. Strongly-correlated dynamics of loops of spins is suggested as a possible mechanism which could account for these findings. Potential connections to many-body spin localization will also be discussed.

Preparation, optical, and photocatalytic studies of defect pyrochlores: KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Ravi, G.; Veldurthi, Naveen Kumar [Osmania University, Department of Chemistry (India); Prasad, Muvva D. [University of Hyderabad, School of Chemistry (India); Muniratnam, N. R. [Centre for Materials Electronics Technology (C-MET) (India); Prasad, G. [Osmania University, Department of Physics (India); Vithal, M., E-mail: mugavithal@gmail.com [Osmania University, Department of Chemistry (India)

2013-09-15

Nano sized defect pyrochlores of compositions KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O (A = Sn, Ag, Bi, Sm, Eu, and Gd) have been synthesized by sol-gel and ion exchange methods, respectively. These oxides were characterized by thermogravimetric analysis, powder X-ray diffraction, energy dispersive spectra, transmission electron microscopy, UV-Vis diffuse reflectance spectra, Raman spectra, and Fourier transform infrared spectra. Spontaneous exchange of K{sup +} with A ion is accompanied by insertion of water also into the lattice. KCr{sub 0.33}W{sub 1.67}O{sub 6} and A{sub x}Cr{sub 0.33}W{sub 1.67}O{sub 6}{center_dot}nH{sub 2}O crystallize in cubic lattice and isomorphous with KSbWO{sub 6}. The optical properties of Cr{sup 3+} were investigated. Substitution of K{sup +} by A ion leads to a shift of absorption onset to longer wavelengths marginally. The Raman spectra of all the samples are characteristic of defect pyrochlore system. The photocatalytic degradation of methylene blue aqueous solution was investigated using these oxides. The results obtained were fitted with the Langmuir-Hinshelwood model to study the degradation kinetics. Both Sn{sup 2+} and Bi{sup 3+}-doped KCr{sub 0.33}W{sub 1.67}O{sub 6} exhibit higher photoactivity in the degradation of methylene blue. The structure/composition of the photocatalyst remains the same even after fourth cycle of photodegradation.

Anomalous pressure dependence of the superconducting transition temperature in the β-Pyrochlore KOs2O6

Science.gov (United States)

Miyoshi, Kiyotaka; Takaichi, Yuta; Takeuchi, Jun

2009-03-01

DC magnetic measurements have been performed for β-pyrochlore superconductor KOs2O6 (Tc = 9.6 K) under pressure for the precise determination of the pressure dependence of Tc, using a miniature diamond anvil cell combined with a commercial SQUID magnetometer. It is found that the critical temperature Tc shows a maximum of ~10 K at P=0.5 GPa. The maximum of Tc is higher than that for CsOs2O6 and RbOs2O6, in both of which Tc is known to increase and saturate at Tcm = 8.8 K by the application of pressure, suggesting the enhanced superconductivity due to the rattling of K ions in an oversized cage of Os-O network. For the further application of pressure, Tc decreases linearly but the decreasing rate appears to be suddenly changed at P~2 GPa and Tc~8 K. The sharp bend of the Tc — P line probably corresponds to the transition concerning to the rattling motion which occurs at Tp=7.5 K at ambient pressure, suggesting the positive pressure dependence of Tp.

Quantum Magnetism Applied to the Iron-Pnictides and Rare Earth Pyrochlores

Science.gov (United States)

Applegate, Ryan

This dissertation presents computational studies of two families of magnetic materials of significant current interest. The iron pnictides are new high temperature superconductors with interesting parent compound antiferromagnetism. The rare earth pyrochlore material Yb2Ti2O7 is a candidate quantum spin ice. The magnetic and structural phases of individual iron pnictides have both many common features and material specific differences. In an attempt to unify these behaviors as instances of a larger theoretical picture, we use Monte Carlo simulations of a two-dimensional Hamiltonian with coupled Heisenberg-spin and Ising-orbital degrees of freedom. We introduce spin-space and single-ion anisotropies and study the finite temperature transitions in our model. We develop a phase diagram and propose that the interplay of spin and orbital physics in the presence of anisotropy could explain how material details affect the transitions of the pnictide materials. Nuclear magnetic resonance (NMR) can study magnetic materials via the hyperfine interaction and the coupling between the nuclear moment and the field produced by the samples local moment environment. Recent measurements suggest that Zn doped BaFe2As2 may have quantum fluctuations about the striped phase that produce a distribution of fields at As nuclear sites. The non-magnetic ion Zn replaces Fe and can be treated as an impurity which can be studied by a zero-temperature Ising Series expansion method. We propose a Heisenberg-like J1a-J 1b-J2 model which has small ferromagnetic exchanges along the b axis and strong antiferromagnetic exchanges along the a axis. In our impurity model we find that the magnetic moments are everywhere reduced by quantum fluctuations, except on the nearest neighbor site in the AFM direction. We suggest that the presented impurity model may provide an explanation for the experimental measurements. Based on a recently proposed quantum spin ice model, we use numerical linked cluster (NLC

Radiation effects in uranium-niobium titanates

International Nuclear Information System (INIS)

Lian, J.; Wang, S.X.; Wang, L.M.; Ewing, R.C.

2000-01-01

Pyrochlore is an important actinide host phase proposed for the immobilization of high level nuclear wastes and excess weapon plutonium.[1] Synthetic pyrochlore has a great variety of chemical compositions due to the possibility of extensive substitutions in the pyrochlore structure.[2] During the synthesis of pyrochlore, additional complex titanate phases may form in small quantities. The response of these phases to radiation damage must be evaluated because volume expansion of minor phases may cause micro-fracturing. In this work, two complex uranium-niobium titanates, U 3 NbO 9.8 (U-rich titanate) and Nb 3 UO 10 (Nb-rich titanate) were synthesized by the alkoxide/nitrate route at 1300 deg. C under an argon atmosphere. The phase composition and structure were analyzed by EDS, BSE, XRD, EMPA and TEM techniques. An 800 KeVKr 2+ irradiation was performed using the IVEM-Tandem Facility at Argonne National Laboratory in a temperature range from 30 K to 973 K. The radiation effects were observed by in situ TEM

Relaxation and final-state structure in XPS of atoms, molecules, and metals

International Nuclear Information System (INIS)

Shirley, D.A.; Martin, R.L.; McFeely, F.R.; Kowalczyk, S.P.; Ley, L.

1975-03-01

Photoemission from a many-electron system is a many-electron process, even though the transition operator may affect only one electron directly. Relaxation and ''shake-up'' structure are related by a sum rule. When one is present, the other must be also. Shake-up structure is shown to be accurately predictable in atomic neon and molecular HF if the CI calculations are done carefully. In metals the sum rule also applies but final-state effects usually appear as relaxation energy, which is large even for valence electrons. Finally, in rare-earth metals discrete shake-up structure is observable in the 4p region. (7 figs, 30 refs) (auth)

Self-assembled, rare earth tantalate pyrochlore nanoparticles for superior flux pinning in YBa2Cu3O7-δ films

International Nuclear Information System (INIS)

Harrington, S A; Durrell, J H; Wimbush, S C; Kursumovic, A; MacManus-Driscoll, J L; Maiorov, B; Wang, H; Lee, J H

2009-01-01

Addition of pyrochlore rare earth tantalate phases, RE 3 TaO 7 (RTO, where RE = rare earth, Er, Gd and Yb) to YBa 2 Cu 3 O 7-δ (YBCO) is shown to vastly improve pinning, without being detrimental to the superconducting transition temperature. The closely lattice matched to RTO phase provides a lower interfacial energy with YBCO than BaZrO 3 (BZO) and produces very fine (∼5 nm) particles with high linearity in their self-assembly along c. Critical current densities of 0.86, 0.38 MA cm -2 at 1 and 3 T (for fields) parallel to the c axis were recorded at 77 K in 0.5-1.0 μm thick films and a transition temperature of 92 K was observed even in the highest level doped sample (8 mol%). (rapid communication)

NERI FINAL TECHNICAL REPORT, DE-FC07-O5ID14647. OPTIMIZATION OF OXIDE COMPOUNDS FOR ADVANCED INERT MATRIX MATERIALS

International Nuclear Information System (INIS)

Nino, Juan C.

2009-01-01

In order to reduce the current excesses of plutonium (both weapon grade and reactor grade) and other transuranium elements, a concept of inert matrix fuel (IMF) has been proposed for an uranium free transmutation of fissile actinides which excludes continuous uranium-plutonium conversion in thermal reactors and advanced systems. Magnesium oxide (MgO) is a promising candidate for inert matrix (IM) materials due to its high melting point (2827 C), high thermal conductivity (13 W/K · m at 1000 C), good neutronic properties, and irradiation stability However, MgO reacts with water and hydrates easily, which prevents it from being used in light water reactors (LWRs) as an IM. To improve the hydration resistance of MgO-based inert matrix materials, Medvedev and coworkers have recently investigated the introduction of a secondary phase that acts as a hydration barrier. An MgO-ZrO 2 composite was specifically studied and the results showed that the composite exhibited improved hydration resistance than pure MgO. However, ZrO 2 is insoluble in most acids except HF, which is undesirable for fuel reprocessing. Moreover, the thermal conductivity of ZrO 2 is low and typically less than 3 W · m -1 · K -1 at 1000 C. In search for an alternative composite strategy, Nd 2 Zr 2 O 7 , an oxide compound with pyrochlore structure, has been proposed recently as a corrosion resistant phase, and MgO-Nd 2 Zr 2 O 7 composites have been investigated as potential IM materials. An adequate thermal conductivity of 6 W · m - 1 · K -1 at 1000 C for the MgO-Nd 2 Zr 2 O 7 composite with 90 vol% MgO was recently calculated and reported. Other simulations proposed that the MgO-pyrochlore composites could exhibit higher radiation stability than previously reported. Final optimization of the composite microstructure was performed on the 70 vol% MgO-Nd 2 Zr 2 O 7 composite that burnup calculations had shown to have the closest profile to that of MOX fuel. Theoretical calculations also indicated that

Fundamental Thermodynamics of Actinide-Bearing Mineral Waste Forms - Final Report

Energy Technology Data Exchange (ETDEWEB)

Williamson, Mark A.; Ebbinghaus, Bartley B.; Navrotsky, Alexandra

2001-03-01

The end of the Cold War raised the need for the technical community to be concerned with the disposition of excess nuclear weapon material. The plutonium will either be converted into mixed-oxide fuel for use in nuclear reactors or immobilized in glass or ceramic waste forms and placed in a repository. The stability and behavior of plutonium in the ceramic materials as well as the phase behavior and stability of the ceramic material in the environment is not well established. In order to provide technically sound solutions to these issues, thermodynamic data are essential in developing an understanding of the chemistry and phase equilibria of the actinide-bearing mineral waste form materials proposed as immobilization matrices. Mineral materials of interest include zircon, zirconolite, and pyrochlore. High temperature solution calorimetry is one of the most powerful techniques, sometimes the only technique, for providing the fundamental thermodynamic data needed to establish optimum material fabrication parameters, and more importantly understand and predict the behavior of the mineral materials in the environment. The purpose of this project is to experimentally determine the enthalpy of formation of actinide orthosilicates, the enthalpies of formation of actinide substituted zirconolite and pyrochlore, and develop an understanding of the bonding characteristics and stabilities of these materials.

Fundamental Thermodynamics of Actinide-Bearing Mineral Waste Forms - Final Report

International Nuclear Information System (INIS)

Williamson, Mark A.; Ebbinghaus, Bartley B.; Navrotsky, Alexandra

2001-01-01

The end of the Cold War raised the need for the technical community to be concerned with the disposition of excess nuclear weapon material. The plutonium will either be converted into mixed-oxide fuel for use in nuclear reactors or immobilized in glass or ceramic waste forms and placed in a repository. The stability and behavior of plutonium in the ceramic materials as well as the phase behavior and stability of the ceramic material in the environment is not well established. In order to provide technically sound solutions to these issues, thermodynamic data are essential in developing an understanding of the chemistry and phase equilibria of the actinide-bearing mineral waste form materials proposed as immobilization matrices. Mineral materials of interest include zircon, zirconolite, and pyrochlore. High temperature solution calorimetry is one of the most powerful techniques, sometimes the only technique, for providing the fundamental thermodynamic data needed to establish optimum material fabrication parameters, and more importantly understand and predict the behavior of the mineral materials in the environment. The purpose of this project is to experimentally determine the enthalpy of formation of actinide orthosilicates, the enthalpies of formation of actinide substituted zirconolite and pyrochlore, and develop an understanding of the bonding characteristics and stabilities of these materials

AgLnSb/sub 2/O/sub 7/ compounds with weberite structure

Energy Technology Data Exchange (ETDEWEB)

Lopatin, S S; Aver' yanova, L N; Belyaev, I N; Zvyagintsev, B I; Dyatlov, Eh V [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

1982-11-01

The interaction between AgSbO/sub 3/ and LnSbO/sub 4/ in the solid phase at 1100-1150 deg C has been investigated. AgLnSb/sub 2/O/sub 7/ compounds with weberite crystal structure are formed in Ln=La, Pr, Nd, Sm cases but in Ln=Eu, Cd, Dy, Er cases the formation of termary oxides of the indicated composition has not been observed. Inasmuch as compounds of the general formula A/sub 2/B/sub 2/O/sub 7/ with average cation radii Rsub(B) >0.60 A and 1.65 <= Rsub(A)/Rsub(B) <= 2.20 can crystallize in weberite, pyrochlore and laminated perovskite-like structurer, conditions of the existence of the above mentioned structures depending on A and B dimensions and electronegativity are discussed.

Quasiparticle Breakdown and Spin Hamiltonian of the Frustrated Quantum Pyrochlore Yb_{2}Ti_{2}O_{7} in a Magnetic Field.

Science.gov (United States)

Thompson, J D; McClarty, P A; Prabhakaran, D; Cabrera, I; Guidi, T; Coldea, R

2017-08-04

The frustrated pyrochlore magnet Yb_{2}Ti_{2}O_{7} has the remarkable property that it orders magnetically but has no propagating magnons over wide regions of the Brillouin zone. Here we use inelastic neutron scattering to follow how the spectrum evolves in cubic-axis magnetic fields. At high fields we observe, in addition to dispersive magnons, a two-magnon continuum, which grows in intensity upon reducing the field and overlaps with the one-magnon states at intermediate fields leading to strong renormalization of the dispersion relations, and magnon decays. Using heat capacity measurements we find that the low- and high-field regions are smoothly connected with no sharp phase transition, with the spin gap increasing monotonically in field. Through fits to an extensive data set of dispersion relations combined with magnetization measurements, we reevaluate the spin Hamiltonian, finding dominant quantum exchange terms, which we propose are responsible for the anomalously strong fluctuations and quasiparticle breakdown effects observed at low fields.

Quasiparticle Breakdown and Spin Hamiltonian of the Frustrated Quantum Pyrochlore Yb2 Ti2 O7 in a Magnetic Field

Science.gov (United States)

Thompson, J. D.; McClarty, P. A.; Prabhakaran, D.; Cabrera, I.; Guidi, T.; Coldea, R.

2017-08-01

The frustrated pyrochlore magnet Yb2 Ti2 O7 has the remarkable property that it orders magnetically but has no propagating magnons over wide regions of the Brillouin zone. Here we use inelastic neutron scattering to follow how the spectrum evolves in cubic-axis magnetic fields. At high fields we observe, in addition to dispersive magnons, a two-magnon continuum, which grows in intensity upon reducing the field and overlaps with the one-magnon states at intermediate fields leading to strong renormalization of the dispersion relations, and magnon decays. Using heat capacity measurements we find that the low- and high-field regions are smoothly connected with no sharp phase transition, with the spin gap increasing monotonically in field. Through fits to an extensive data set of dispersion relations combined with magnetization measurements, we reevaluate the spin Hamiltonian, finding dominant quantum exchange terms, which we propose are responsible for the anomalously strong fluctuations and quasiparticle breakdown effects observed at low fields.

Signatures of a gearwheel quantum spin liquid in a spin-1/2 pyrochlore molybdate Heisenberg antiferromagnet

Science.gov (United States)

Iqbal, Yasir; Müller, Tobias; Riedl, Kira; Reuther, Johannes; Rachel, Stephan; Valentí, Roser; Gingras, Michel J. P.; Thomale, Ronny; Jeschke, Harald O.

2017-12-01

We theoretically investigate the low-temperature phase of the recently synthesized Lu2Mo2O5N2 material, an extraordinarily rare realization of a S =1 /2 three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo5 + are the S =1 /2 magnetic species. Despite a Curie-Weiss temperature (ΘCW) of -121 (1 ) K, experiments have found no signature of magnetic ordering or spin freezing down to T*≈0.5 K. Using density functional theory, we find that the compound is well described by a Heisenberg model with exchange parameters up to third nearest neighbors. The analysis of this model via the pseudofermion functional renormalization group method reveals paramagnetic behavior down to a temperature of at least T =| ΘCW|/100 , in agreement with the experimental findings hinting at a possible three-dimensional quantum spin liquid. The spin susceptibility profile in reciprocal space shows momentum-dependent features forming a "gearwheel" pattern, characterizing what may be viewed as a molten version of a chiral noncoplanar incommensurate spiral order under the action of quantum fluctuations. Our calculated reciprocal space susceptibility maps provide benchmarks for future neutron scattering experiments on single crystals of Lu2Mo2O5N2 .

Heavy ion irradiation effects of brannerite-type ceramics

International Nuclear Information System (INIS)

Lian, J.; Wang, L.M.; Lumpkin, G.R.; Ewing, R.C.

2002-01-01

Brannerite, UTi 2 O 6 , occurs in polyphase Ti-based, crystalline ceramics that are under development for plutonium immobilization. In order to investigate radiation effects caused by α-decay events of Pu, a 1 MeV Kr + irradiation on UTi 2 O 6 , ThTi 2 O 6 , CeTi 2 O 6 and a more complex material, composed of Ca-containing brannerite and pyrochlore, was performed over a temperature range of 25-1020 K. The ion irradiation-induced crystalline-to-amorphous transformation was observed in all brannerite samples. The critical amorphization temperatures of the different brannerite compositions are: 970 K, UTi 2 O 6 ; 990 K, ThTi 2 O 6 ; 1020 K, CeTi 2 O 6 . The systematic increase in radiation resistance from Ce-, Th- to U-brannerite is related to the difference of mean atomic mass of A-site cation in the structure. As compared with the pyrochlore structure-type, brannerite phases are more susceptible to ion irradiation-induced amorphization. The effects of structure and chemical compositions on radiation resistance of brannerite-type and pyrochlore-type ceramics are discussed

NERI FINAL TECHNICAL REPORT, DE-FC07-O5ID14647, OPTIMIZATION OF OXIDE COMPOUNDS FOR ADVANCED INERT MATRIX MATERIALS

Energy Technology Data Exchange (ETDEWEB)

PI: JUAN C. NINO, ASSOCIATE PROFESSOR

2009-01-11

In order to reduce the current excesses of plutonium (both weapon grade and reactor grade) and other transuranium elements, a concept of inert matrix fuel (IMF) has been proposed for an uranium free transmutation of fissile actinides which excludes continuous uranium-plutonium conversion in thermal reactors and advanced systems. Magnesium oxide (MgO) is a promising candidate for inert matrix (IM) materials due to its high melting point (2827 C), high thermal conductivity (13 W/K {center_dot} m at 1000 C), good neutronic properties, and irradiation stability However, MgO reacts with water and hydrates easily, which prevents it from being used in light water reactors (LWRs) as an IM. To improve the hydration resistance of MgO-based inert matrix materials, Medvedev and coworkers have recently investigated the introduction of a secondary phase that acts as a hydration barrier. An MgO-ZrO{sub 2} composite was specifically studied and the results showed that the composite exhibited improved hydration resistance than pure MgO. However, ZrO{sub 2} is insoluble in most acids except HF, which is undesirable for fuel reprocessing. Moreover, the thermal conductivity of ZrO{sub 2} is low and typically less than 3 W {center_dot} m{sup -1} {center_dot} K{sup -1} at 1000 C. In search for an alternative composite strategy, Nd{sub 2}Zr{sub 2}O{sub 7}, an oxide compound with pyrochlore structure, has been proposed recently as a corrosion resistant phase, and MgO-Nd{sub 2}Zr{sub 2}O{sub 7} composites have been investigated as potential IM materials. An adequate thermal conductivity of 6 W {center_dot} m{sup -} 1 {center_dot} K{sup -1} at 1000 C for the MgO-Nd{sub 2}Zr{sub 2}O{sub 7} composite with 90 vol% MgO was recently calculated and reported. Other simulations proposed that the MgO-pyrochlore composites could exhibit higher radiation stability than previously reported. Final optimization of the composite microstructure was performed on the 70 vol% MgO-Nd{sub 2}Zr{sub 2}O{sub 7

Unusual spin frozen state in a frustrated pyrochlore system NaCaCo{sub 2}F{sub 7} as observed by NMR

Energy Technology Data Exchange (ETDEWEB)

Sarkar, R.; Brueckner, F.; Klauss, H.H. [IFP, TU Dresden (Germany); Krizan, J.W.; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ (United States)

2016-07-01

We present {sup 23}Na -and {sup 19}F NMR results on the magnetically frustrated pyrochlore NaCaCo{sub 2}F{sub 7} with a frustration index of f = θ{sub CW}/T{sub f} ∝ 56. Recent neutron scattering experiments proposed XY like antiferromagnetic spin clusters at low energies in NaCaCo{sub 2}F{sub 7}. {sup 23}Na NMR -spectra reveal the presence of two magnetically non equivalent Na sites in conjunction with the local Co{sup 2+} spin structure. Below 3.6 K both the {sup 23}Na -and {sup 19}F spectra broaden due to the formation of static spin correlations. A huge reduction of the {sup 19}F -and {sup 23}Na NMR signal intensity hints at a quasi-static field distribution in NaCaCo{sub 2}F{sub 7} in this regime. The {sup 19}F spin-lattice relaxation rate {sup 19}(1/T{sub 1}) exhibits a peak at around 2.9 K, at the same temperature range where ac and dc susceptibility data show a broad maximum. The character of the spin fluctuation appears to be isotropic. The overall temperature dependence of {sup 19}(1/T{sub 1}) can be described by the BPP theory considering a fluctuating hyperfine field with an autocorrelation function. The correlation time of the autocorrelation function exhibits an activation behavior further indicating the spin-frozen state. While the present NMR studies suggest the spin frozen state at low temperatures, μSR investigations however reveal the presence of so called persistent spin dynamics down to 20 mK implying an exotic ground state in NaCaCo{sub 2}F{sub 7}.

Smart Intelligent Aircraft Structures (SARISTU) : Proceedings of the Final Project Conference

CERN Document Server

Papadopoulos, Michael

2016-01-01

The book includes the research papers presented in the final conference of the EU funded SARISTU (Smart Intelligent Aircraft Structures) project, held at Moscow, Russia between 19-21 of May 2015. The SARISTU project, which was launched in September 2011, developed and tested a variety of individual applications as well as their combinations. With a strong focus on actual physical integration and subsequent material and structural testing, SARISTU has been responsible for important progress on the route to industrialization of structure integrated functionalities such as Conformal Morphing, Structural Health Monitoring and Nanocomposites. The gap- and edge-free deformation of aerodynamic surfaces known as conformal morphing has gained previously unrealized capabilities such as inherent de-icing, erosion protection and lightning strike protection, while at the same time the technological risk has been greatly reduced. Individual structural health monitoring techniques can now be applied at the part-manufacturin...

Orange-red emitting Gd2Zr2O7:Sm3+: Structure-property correlation, optical properties and defect spectroscopy

Science.gov (United States)

Gupta, Santosh K.; Reghukumar, C.; Sudarshan, K.; Ghosh, P. S.; Pathak, Nimai; Kadam, R. M.

2018-05-01

Local structure analysis of dopant ion, understanding host to dopant energy transfer dynamics and defects characterization in a doped material which plays an important role in the designing a highly efficient opto-electronic material. In this connection a new Sm3+ doped Gd2Zr2O7 pyrochlore material was synthesized using gel-combustion technique and was characterized systematically using X-ray diffraction (XRD), time resolved photoluminescence spectroscopy (TRPLS), positron annihilation lifetime spectroscopy (PALS) and density functional theory (DFT) based ab-initio calculation. Based on DFT site selective energetics calculation and luminescence decay measurement, it was observed that the Sm3+ was distributed at both Gd3+ and Zr4+ site with higher Sm3+ fraction at the Gd3+ site. PALS was used to probe the presence of defects in the phosphor. In this work intense orange-red emission is realized through manipulating the energy transfer from host defect emission (oxygen vacancies) to Sm3+ which allows color emission from green in undoped to orange-red in doped samples. Effect of dopant concentration and annealing temperature was probed using TRPLS and PALS. These all information is highly important for researcher looking to achieve pyrochlore based phosphor materials with high quantum yield.

In-situ high temperature irradiation setup for temperature dependent structural studies of materials under swift heavy ion irradiation

International Nuclear Information System (INIS)

Kulriya, P.K.; Kumari, Renu; Kumar, Rajesh; Grover, V.; Shukla, R.; Tyagi, A.K.; Avasthi, D.K.

2015-01-01

An in-situ high temperature (1000 K) setup is designed and installed in the materials science beam line of superconducting linear accelerator at the Inter-University Accelerator Centre (IUAC) for temperature dependent ion irradiation studies on the materials exposed with swift heavy ion (SHI) irradiation. The Gd 2 Ti 2 O 7 pyrochlore is irradiated using 120 MeV Au ion at 1000 K using the high temperature irradiation facility and characterized by ex-situ X-ray diffraction (XRD). Another set of Gd 2 Ti 2 O 7 samples are irradiated with the same ion beam parameter at 300 K and simultaneously characterized using in-situ XRD available in same beam line. The XRD studies along with the Raman spectroscopic investigations reveal that the structural modification induced by the ion irradiation is strongly dependent on the temperature of the sample. The Gd 2 Ti 2 O 7 is readily amorphized at an ion fluence 6 × 10 12 ions/cm 2 on irradiation at 300 K, whereas it is transformed to a radiation-resistant anion-deficient fluorite structure on high temperature irradiation, that amorphized at ion fluence higher than 1 × 10 13 ions/cm 2 . The temperature dependent ion irradiation studies showed that the ion fluence required to cause amorphization at 1000 K irradiation is significantly higher than that required at room temperature irradiation. In addition to testing the efficiency of the in-situ high temperature irradiation facility, the present study establishes that the radiation stability of the pyrochlore is enhanced at higher temperatures

Final design of the generic equatorial port plug structure for ITER diagnostic systems

International Nuclear Information System (INIS)

Udintsev, V.S.; Maquet, P.; Alexandrov, E.; Casal, N.; Cuenca, D.; Drevon, J.-M.; Feder, R.; Friconneau, J.P.; Giacomin, T.; Guirao, J.; Iglesias, S.; Josseaume, F.; Levesy, B.; Loesser, D.; Ordieres, J.; Quinn, E.; Pak, S.; Penot, C.; Pitcher, C.S.; Portalès, M.

2015-01-01

The Diagnostic Generic Equatorial Port Plug (GEPP) is designed to be common to all equatorial port-based diagnostic systems. It is designed to survive throughout the lifetime of ITER for 20 years, 30,000 discharges, and 3000 disruptions. The EPP structure dimensions (without Diagnostic First Walls and Diagnostic Shield Modules) are L2.9 × W1.9 × H2.4 m"3. The length of the fully integrated EPP is 3174 mm. The weight of the EPP structure is about 15 t, whereas the total weight of the integrated EPP may be up to 45 t. The EPP structure provides a flexible platform for a variety of diagnostics. The Diagnostic Shield Module assemblies, or drawers, allow a modular approach with respect to diagnostic integration and maintenance. In the nuclear phase of ITER operations, they will be remotely inserted into the EPP structure in the Hot Cell Facility. The port plug structure must also contribute to the nuclear shielding, or plugging, of the port and further contain circulated water to allow cooling during operation and heating during bake-out. The Final Design of the GEPP has been successfully passed in late 2013 and is now heading toward manufacturing. The final design of the GEPP includes interfaces, manufacturing, R&D, operation and maintenance, load cases and analysis of failure modes.

The XPS study of the structure of uranium-containing ceramics

Directory of Open Access Journals (Sweden)

Teterin Anton Yu.

2010-01-01

Full Text Available The samples of the (Ca0.5GdU0.5Zr2O7 and (Ca0.5GdU0.5(ZrTiO7 ceramics with the fluorite and pyrochlore structures used as matrixes for the long-lived high-level radioactive waste disposal were studied with the X-ray photoelectron spectroscopy method. On the basis of the X-ray photoelectron spectroscopy parameters of the outer and core electrons from the binding energy range of 0-1250 eV the oxidation states of the included metal ions were determined, the quantitative elemental and ionic analysis was done, and the orderliness (monophaseness was evaluated. The obtained data agree with the X-ray diffraction and the scanning electron microscopy results.

Final design of the generic upper port plug structure for ITER diagnostic systems

Energy Technology Data Exchange (ETDEWEB)

Pak, Sunil, E-mail: paksunil@nfri.re.kr [National Fusion Research Institute, Daejeon (Korea, Republic of); Feder, Russell [Princeton Plasma Physics Laboratory, Princeton, NJ (United States); Giacomin, Thibaud; Guirao, Julio; Iglesias, Silvia; Josseaume, Fabien [ITER Organization, Route de Vinon sur Verdon, 13115 St Paul-lez-Durance (France); Kalish, Michael; Loesser, Douglas [Princeton Plasma Physics Laboratory, Princeton, NJ (United States); Maquet, Philippe [ITER Organization, Route de Vinon sur Verdon, 13115 St Paul-lez-Durance (France); Ordieres, Javier; Panizo, Marcos [NATEC, Ingenieros, Gijón (Spain); Pitcher, Spencer; Portalès, Mickael [ITER Organization, Route de Vinon sur Verdon, 13115 St Paul-lez-Durance (France); Proust, Maxime [CEA, Cadarache, St. Paul-lez-Durance (France); Ronden, Dennis [FOM Institute DIFFER, Nieuwegein (Netherlands); Serikov, Arkady [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany); Suarez, Alejandro [ITER Organization, Route de Vinon sur Verdon, 13115 St Paul-lez-Durance (France); Tanchuk, Victor [NIIEFA, St.-Petersburg (Russian Federation); Udintsev, Victor; Vacas, Christian [ITER Organization, Route de Vinon sur Verdon, 13115 St Paul-lez-Durance (France); and others

2016-01-15

The generic upper port plug (GUPP) structure in ITER is a 6 m long metal box which deploys diagnostic components into the vacuum vessel. This structure is commonly used for all the diagnostic upper ports. The final design of the GUPP structure, which has successfully passed the final design review in 2013, is described here. The diagnostic port plug is cantilevered to the vacuum vessel with a heavy payload at the front, so called the diagnostic first wall (DFW) and the diagnostic shield module (DSM). Most of electromagnetic (EM) load (∼80%) occurs in DFW/DSM. Therefore, the mounting design to transfer the EM load from DFW/DSM to the GUPP structure is challenging, which should also comply with thermal expansion and tolerance for assembly and manufacturing. Another key design parameter to be considered is the gap between the port plug and the vacuum vessel port. The gap should be large enough to accommodate the remote handling of the heavy port plug (max. 25 t), the structural deflection due to external loads and machine assembly tolerance. At the same time, the gap should be minimized to stop the neutron streaming according to the ALARA (as low as reasonably achievable) principle. With these design constraints, the GUPP structure should also provide space for diagnostic integration as much as possible. This requirement has led to the single wall structure having the gun-drilled water channels inside the structure. Furthermore, intensive efforts have been made on the manufacturing study including material selection, manufacturing codes and French regulation related to nuclear equipment and safety. All these main design and manufacturing aspects are discussed in this paper, including requirements, interfaces, loads and structural assessment and maintenance.

High aspect ratio lead zirconate titanate tube structures: I. Template assisted fabrication - vacuum infiltration method

Directory of Open Access Journals (Sweden)

Vladimír Kovaľ

2012-03-01

Full Text Available Polycrystalline Pb(Zr0.52Ti0.48O3 (PZT microtubes are fabricated by a vacuum infiltration method. The method is based on repeated infiltration of precursor solution into macroporous silicon (Si templates at a sub-atmospheric pressure. The pyrolyzed PZT tubes of a 2-µm outer diameter, extending to over 30 µm in length were released from the template using a selective isotropic-pulsed XeF2 reactive ion etching of silicon. Free-standing microtubes, partially anchored at the bottom of the Si template, were then crystallized in pure oxygen atmosphere at 750 °C for 2 min using a rapid thermal annealer. The perovskite phase of the final PZT tubes was confirmed by X-ray diffraction (XRD analysis. The XRD spectrum also revealed a small amount of the pyrochlore phase in the structure and signs of possible fluoride contamination caused most likely by the XeF2 etching process. The surface morphology was examined using scanning electron microscopy. It was demonstrated that the whole surface of the pore walls was conformally coated during the repeated infiltration of templates, resulting in straight tubes with closed tips formed on the opposite ends as replicas of the pore bottoms. These high aspect ratio ferroelectric structures are suggested as building units for developing miniaturized electronic devices, such as memory storage (DRAM trenched capacitors, piezoelectric scanners and actuators, and are of fundamental value for the theory of ferroelectricity in systems with low dimensionality.

TFTR Inner Support Structure final assembly and installation

International Nuclear Information System (INIS)

Rocco, R.E.; Brown, G.; Carglia, G.; Heitzenroeder, P.; Koenig, F.; Mookerjee, S.; Raugh, J.

1983-01-01

The Inner Support Structure (ISS) of the TFTR provides a specific level of restraint to the net centering force and overturning moment produced by the Toroidal Field (TF) coils and to the vertical forces produced by the Inner Poloidal Field (PF) coils. This is accomplished consistent with the need for four radial dielectric breaks running the entire length of the ISS to prevent eddy current loops. A brief description of the major components, method of manufacture and material selection of the ISS and PF coils is presented. Particular attention is given to the integration of the PF coils and the ISS components into the total assembly and the installation of strain gauges and crack monitors on the ISS. The requirements of no gaps at the interfaces of the ISS teeth at all three horizontal planes is discussed. The problem encountered with achieving the no gap requirement and the successful resolution of this problem, including its impact on installation of the ISS, is also discussed. The installation of the ISS, including setting in position, preloading with TF coil clips, and final tensioning of the tension bars is discussed. A brief description of the lower and upper lead stem splicing operation is presented. Subsequent to the final assembly, electrical tests were performed prior to and after installation on the TFTR machine. An overview of the tests and their results is presented

Colloidal alloys with preassembled clusters and spheres.

Science.gov (United States)

Ducrot, Étienne; He, Mingxin; Yi, Gi-Ra; Pine, David J

2017-06-01

Self-assembly is a powerful approach for constructing colloidal crystals, where spheres, rods or faceted particles can build up a myriad of structures. Nevertheless, many complex or low-coordination architectures, such as diamond, pyrochlore and other sought-after lattices, have eluded self-assembly. Here we introduce a new design principle based on preassembled components of the desired superstructure and programmed nearest-neighbour DNA-mediated interactions, which allows the formation of otherwise unattainable structures. We demonstrate the approach using preassembled colloidal tetrahedra and spheres, obtaining a class of colloidal superstructures, including cubic and tetragonal colloidal crystals, with no known atomic analogues, as well as percolating low-coordination diamond and pyrochlore sublattices never assembled before.

Computer simulations applied in materials

International Nuclear Information System (INIS)

2003-01-01

This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La 2 Zr 2 O 7 pyrochlores; first principle calculations of defects formation energies in the Y 2 (Ti,Sn,Zr) 2 O 7 pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO 2 ; composition defect maps for A 3+ B 3+ O 3 perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

Self-assembly of three-dimensional open structures using patchy colloidal particles.

Science.gov (United States)

Rocklin, D Zeb; Mao, Xiaoming

2014-10-14

Open structures can display a number of unusual properties, including a negative Poisson's ratio, negative thermal expansion, and holographic elasticity, and have many interesting applications in engineering. However, it is a grand challenge to self-assemble open structures at the colloidal scale, where short-range interactions and low coordination number can leave them mechanically unstable. In this paper we discuss the self-assembly of three-dimensional open structures using triblock Janus particles, which have two large attractive patches that can form multiple bonds, separated by a band with purely hard-sphere repulsion. Such surface patterning leads to open structures that are stabilized by orientational entropy (in an order-by-disorder effect) and selected over close-packed structures by vibrational entropy. For different patch sizes the particles can form into either tetrahedral or octahedral structural motifs which then compose open lattices, including the pyrochlore, the hexagonal tetrastack and the perovskite lattices. Using an analytic theory, we examine the phase diagrams of these possible open and close-packed structures for triblock Janus particles and characterize the mechanical properties of these structures. Our theory leads to rational designs of particles for the self-assembly of three-dimensional colloidal structures that are possible using current experimental techniques.

Nanoscopic characterization of Pr2Zr2O7 at Zr sites

International Nuclear Information System (INIS)

Martinez, J.A.; Caracoche, M.C.; Rodriguez, A.M.; Rivas, P.C.; Bondioli, F.; Manfredini, T.; Ferrari, A.M.

2005-01-01

By using Perturbed Angular Correlation Spectroscopy, a suitable technique to explore internal fields at nanoscopic scale, the electric field gradients at Zr 4+ sites in the Pr 2 Zr 2 O 7 compound have been determined as a function of temperature. Three nonequivalent nanoconfigurations are present, which have been interpreted with the aid of point charge model calculations. Two of them correspond to pyrochlore - oxygen defective and perfect structures -, and the third one to the pyrochlore-related defect fluorite structure. The most abundant interaction is a disordered and fluctuating electric field gradient, which describes the oxygen defective pyrochlore. As temperature increases, its gradual and reversible transformation towards the perfect form is observed. Below 750 C the oxygen vacancies movement, which exhibits an activation energy of 0.14 eV, is assumed to be due to vacancies jumping among 48f equivalent sites. At higher temperatures the movement is interpreted as the fast diffusion of oxygen vacancies involving 48f and 8b sites, thus giving place to anionic disorder. The activation energy for this movement has been determined to be of 0.85 eV. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Fundamental aspects of Am and Cm in zirconia-based materials. Investigations using X-ray diffraction and Raman spectroscopy

International Nuclear Information System (INIS)

Raison, P.E.; Haire, R.G.; Assefa, Z.

2002-01-01

We have investigated incorporation of americium and curium in selected zirconia-based materials. Fundamental aspects were explored via X-ray diffraction and Raman spectroscopy. First explored was the pseudo ternary system, AmO 2 -ZrO 2 -Y 2 O 3 . It was found that stable, cubic solid solutions (Am x Zr 1-x Y y )O 2-2/y can be obtained for selected compositions. The cell parameters of the cubic phases were established as being linear with the AmO 2 content. For the Cm 2 O 3 -ZrO 2 system, it was determined that diphasic materials are produced, except for two compositions: 25 mol% and 50 mol% of CmO 1.5 . For these compositions a single-phase cubic fluorite type solid solution (a=5.21A±0.01) and a pyrochlore oxide Cm 2 Zr 2 O 7 (a=10.63A±0.02) are formed, respectively. The stability of pyrochlore oxides is also being investigated as a function of self-irradiation, using shorter-lived isotopes, one being the californium pyrochlore 249 Cf 2 Zr 2 O 7 . We obtained evidence that after six months of storage the pyrochlore oxide is undergoing structural change. Additional studies are in progress. (author)

Nuclear resonance scattering study of iridates, iridium and antimony based pyrochlores

International Nuclear Information System (INIS)

Alexeev, P.

2017-04-01

This thesis shows the first synchrotron-based Moessbauer spectroscopy studies on iridium containing compounds and first vibrational spectroscopy on Sb containing compounds carried out at the P01 beamline of PETRA III. In this context, two types of X-ray monochromators have been developed: a monochromator for 73 keV photons with medium energy resolution, and a high-resolution backscattering monochromator based on a sapphire crystal. The monochromator for 73 keV X-rays is the key instrument for hyperfine spectroscopy on Iridium compounds, while the sapphire backscattering monochromator is purposed to vibrational spectroscopy on any Moessbauer resonances with the transition energies in the 20-50 keV range. Additionally, the signal detection for nuclear resonance scattering experiments at the beamline was significantly improved during this work, inspired by the high energies and low lifetimes of the employed resonances. The first synchrotron-based hyperfine spectroscopy on Iridium-containing compounds was demonstrated by NRS on 73 keV resonance in "1"9"3Ir. The results can be interpreted by dynamical theory of nuclear resonance scattering. In this work, special emphasis is set onto the electronic and magnetic properties of Ir nuclei in IrO_2 and in Ruddlesden-Popper (RP) phases of strontium iridates Sr_n_+_1Ir_nO_3_n_+_1 (n=0,1). These systems are well-suited for studies with X-ray scattering techniques, since the scattered signal contains vast information about the widely tunable crystallographic and electronic structure of these systems; furthermore, studies with X-rays are less limited by absorption from iridium as it is the case for neutron scattering experiments. The hyperfine parameters in IrO_2, SrIrO_3 and Sr_2IrO_4 have been measured via Nuclear Forward Scattering for the first time. Using the dynamical theory of NRS, the temperature and magnetic field dependence of the electric field gradient and magnetic hyperfine field on Ir nucleus have been determined for

Nuclear resonance scattering study of iridates, iridium and antimony based pyrochlores

Energy Technology Data Exchange (ETDEWEB)

Alexeev, P.

2017-04-15

This thesis shows the first synchrotron-based Moessbauer spectroscopy studies on iridium containing compounds and first vibrational spectroscopy on Sb containing compounds carried out at the P01 beamline of PETRA III. In this context, two types of X-ray monochromators have been developed: a monochromator for 73 keV photons with medium energy resolution, and a high-resolution backscattering monochromator based on a sapphire crystal. The monochromator for 73 keV X-rays is the key instrument for hyperfine spectroscopy on Iridium compounds, while the sapphire backscattering monochromator is purposed to vibrational spectroscopy on any Moessbauer resonances with the transition energies in the 20-50 keV range. Additionally, the signal detection for nuclear resonance scattering experiments at the beamline was significantly improved during this work, inspired by the high energies and low lifetimes of the employed resonances. The first synchrotron-based hyperfine spectroscopy on Iridium-containing compounds was demonstrated by NRS on 73 keV resonance in {sup 193}Ir. The results can be interpreted by dynamical theory of nuclear resonance scattering. In this work, special emphasis is set onto the electronic and magnetic properties of Ir nuclei in IrO{sub 2} and in Ruddlesden-Popper (RP) phases of strontium iridates Sr{sub n+1}Ir{sub n}O{sub 3n+1} (n=0,1). These systems are well-suited for studies with X-ray scattering techniques, since the scattered signal contains vast information about the widely tunable crystallographic and electronic structure of these systems; furthermore, studies with X-rays are less limited by absorption from iridium as it is the case for neutron scattering experiments. The hyperfine parameters in IrO{sub 2}, SrIrO{sub 3} and Sr{sub 2}IrO{sub 4} have been measured via Nuclear Forward Scattering for the first time. Using the dynamical theory of NRS, the temperature and magnetic field dependence of the electric field gradient and magnetic hyperfine field

Computer simulations applied in materials

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La{sub 2}Zr{sub 2}O{sub 7} pyrochlores; first principle calculations of defects formation energies in the Y{sub 2}(Ti,Sn,Zr){sub 2}O{sub 7} pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO{sub 2}; composition defect maps for A{sup 3+}B{sup 3+}O{sub 3} perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

Charge structure of the hadronic final state in deep-inelastic muon-nucleon scattering

International Nuclear Information System (INIS)

Arneodo, M.; Ferrero, M.I.; Peroni, C.; Beaufays, J.; Jacholkowska, A.; Kellner, G.; Osborne, A.M.; Bee, C.P.; Bird, I.; Coughlan, J.; Sloan, T.; Braun, H.; Brueck, H.; Drees, J.; Edwards, A.; Krueger, J.; Montgomery, H.E.; Peschel, H.; Pietrzyk, U.; Poetsch, M.; Schneider, A.; Combley, F.; Foster, J.; Whalley, M.; Wheeler, S.; Dreyer, T.; Ernst, T.; Haas, J.; Kabuss, E.M.; Landgraf, U.; Mohr, W.; Rith, K.; Schlagboehmer, A.; Schroeder, T.; Stier, H.E.; Wallucks, W.; Figiel, J.; Gajewski, J.; Janata, F.; Poensgen, B.; Schiemann, H.; Studt, M.; Torre, A. de la; Geddes, N.; Johnson, A.S.; Loken, J.; Long, K.; Renton, P.; Taylor, G.N.; Williams, W.S.C.; Grard, F.; Windmolders, R.

1988-01-01

The general charge properties of the hadronic final state produced in μ + p and μ + d interactions at 280 GeV are investigated. Quark charge retention and local charge compensation is observed. The ratio F 2 n /F 2 p of the neutron to proton structure function is derived from the measurement of the average hadronic charge in μd interactions. (orig.)

Response of Gd 2 Ti 2 O 7 and La 2 Ti 2 O 7 to swift-heavy ion irradiation and annealing

Energy Technology Data Exchange (ETDEWEB)

Park, Sulgiye; Lang, Maik; Tracy, Cameron L.; Zhang, Jiaming; Zhang, Fuxiang; Trautmann, Christina; Rodriguez, Matias D.; Kluth, Patrick; Ewing, Rodney C.

2015-07-01

Swift heavy ion (2 GeV 181Ta) irradiation-induced amorphization and temperature-induced recrystallization of cubic pyrochlore Gd2Ti2O7 (Fd3¯m) are compared with the response of a compositionally-similar material with a monoclinic-layered perovskite-type structure, La2Ti2O7 (P21). The averaged electronic energy loss, dE/dx, was 37 keV/nm and 35 keV/nm in Gd2Ti2O7 and La2Ti2O7, respectively. Systematic analysis of the structural modifications was completed using transmission electron microscopy, synchrotron X-ray diffraction, Raman spectroscopy, and small-angle X-ray scattering. Increasing ion-induced amorphization with increasing ion fluence was evident in the X-ray diffraction patterns of both compositions by a reduction in the intensity of the diffraction maxima concurrent with the growth in intensity of a broad diffuse scattering halo. Transmission electron microscopy analysis showed complete amorphization within ion tracks (diameter: ~10 nm) for the perovskite-type material; whereas a concentric, core–shell morphology was evident in the ion tracks of the pyrochlore, with an outer shell of disordered yet still crystalline material with the fluorite structure surrounding an amorphous track core (diameter: ~9 nm). The radiation response of both titanate oxides with the same stoichiometry can be understood in terms of differences in their structures and compositions. While the radiation damage susceptibility of pyrochlore A2B2O7 materials decreases as a function of the cation radius ratio rA/rB, the current study correlates this behavior with the stability field of monoclinic structures, where rLa/rTi > rGd/rTi. Isochronal annealing experiments of the irradiated materials showed complete recrystallization of La2Ti2O7 at 775 °C and of Gd2Ti2O7 at 850 °C. The annealing behavior is discussed in terms of enhanced damage recovery in La2Ti2O7, compared to the pyrochlore compounds Gd2Ti2O7. The difference in the recrystallization behavior may be related to structural

Effect of cerium additive and secondary phase analysis on Ag0.5Bi0 ...

Indian Academy of Sciences (India)

Technical University of Madrid (UPM), Madrid 28012, Spain. MS received 27 ... XRD analysis showed the presence of pyrochlore structure and secondary phase when more .... The present work reports the effect of incorporation of cerium in ...

Influence of initial annealing on structure evolution and magnetic properties of 3.4% Si non-oriented steel during final annealing

Energy Technology Data Exchange (ETDEWEB)

Simões Mendanha Pedrosa, Josiane [Department of Physics, Federal University of Ouro Preto, Ouro Preto MG-3540000 (Brazil); Costa Paolinelli, Sebastião da [Research Department Aperam South America, Praça Primeiro de Maio, 9, Timóteo MG-35180018 (Brazil); Barros Cota, André, E-mail: abcota@ufop.br [Department of Physics, Federal University of Ouro Preto, Ouro Preto MG-3540000 (Brazil)

2015-11-01

The effect of the initial annealing on structure evolution and magnetic properties during the final annealing of a 3.4% Si non-oriented grain steel was evaluated. Half of the samples were submitted to initial annealing at 1030 °C before cold rolling and all samples were subjected to final annealing process at temperatures from 540 °C to 1100 °C. The magnetic induction and core loss in the final samples, the microstructure by optical microscopy and the crystallographic texture by X-ray diffraction and EBSD were evaluated. The results show that the samples without initial annealing presented better magnetic properties than the samples with initial annealing, due to the higher ratio between Eta fiber and Gamma fiber volume fractions (Eta/Gamma ratio) in their structure after final annealing. - Highlights: • Texture and magnetic properties of 3.4% Si non-oriented electrical steel were measured. • Without initial annealing, better texture and magnetic properties were obtained. • Good texture and magnetic properties are obtained with Steckel hot band structure.

Structure and Thermal Expansion of YSZ and La2Zr2O7 Above 1500°C from Neutron Diffraction on Levitated Samples

International Nuclear Information System (INIS)

Ushakov, Sergey V.; Neuefeind, Joerg C.

2015-01-01

High-temperature time-of-flight neutron diffraction experiments were performed in this paper on cubic yttria-stabilized zirconia (YSZ, 10 mol% YO 1.5 ) and lanthanum zirconate (LZ) prepared by laser melting. Three spheroids of each composition were aerodynamically levitated and rotated in argon flow and heated with a CO 2 laser. Unit cell, positional and atomic displacement parameters were obtained by Rietveld analysis. Below ~1650°C the mean thermal expansion coefficient (TEC) for YSZ is higher than for LZ (13 ± 1 vs. 10.3 ± 0.6) × 10 -6 /K. From ~1650°C to the onset of melting of LZ at ~2250°C, TEC for YSZ and LZ are similar and within (7 ± 2) × 10 -6 /K. LZ retains the pyrochlore structure up to the melting temperature with Zr coordination becoming closer to perfectly octahedral. Congruently melting LZ is La deficient. The occurrence of thermal disordering of oxygen sublattice (Bredig transition) in defect fluorite structure was deduced from the rise in YSZ TEC to ~25 × 10 -6 /K at 2350°C–2550°C with oxygen displacement parameters (U iso ) reaching 0.1 Å 2 , similar to behavior observed in UO 2 . Acquisition of powder-like high-temperature neutron diffraction data from solid-levitated samples is feasible and possible improvements are outlined. Finally, this methodology should be applicable to a wide range of materials for high-temperature applications.

Structure functions and final-state properties in deeply inelastic electron-proton scattering

International Nuclear Information System (INIS)

Kharraziha, H.

1997-01-01

In this thesis, we give a description of the detailed structure of the proton and a description of the final-state properties in electron-proton scattering. Qualitative results, in a purely gluonic scenario with the leading log approximation, and quantitative results, where quarks are included and some sub-leading corrections have been made, are presented. The quantitative results are in fair agreement with available experimental data and a Monte Carlo event generator for electron-proton scattering is presented. Further, a computer program for calculating QCD colour factors is presented

A novel isomorphic phase transition in β-pyrochlore oxide KOs2O6: a study using high resolution neutron powder diffraction

Science.gov (United States)

Sasai, Kenzo; Kofu, Maiko; Ibberson, Richard M.; Hirota, Kazuma; Yamaura, Jun-ichi; Hiroi, Zenji; Yamamuro, Osamu

2010-01-01

We have carried out adiabatic calorimetric and neutron powder diffraction experiments on the β-pyrochlore oxide KOs2O6, which has a superconducting transition at Tc = 9.6 K and another novel transition at Tp = 7.6 K. A characteristic feature of this compound is that the K ions exhibit rattling vibrations in the cages formed by O atoms even at very low temperatures. The temperature and entropy of the Tp transition is in good agreement with previous data measured using a heat relaxation method, indicating that the present sample is of high purity and the transition entropy, 0.296 J K-1 mol-1, does not depend on the calorimetric method used. The neutron powder diffraction data show no peak splitting nor extra peaks over the temperature range between 2 and 295 K, suggesting that the Tp transition is a rather unusual isomorphic transition. Rietveld analysis revealed an anomalous expansion of the lattice and a deformation of the O atom cage below 7.6 K. In the low-temperature phase, the distribution of scattering density corresponding to the K ions becomes broader whilst maintaining its maximum at the cage center. Based on these findings, we suggest that the Tp transition is due to the expansion of the cage volume and cooperative condensation of the K ions into the ground state of the rattling motion.

Radiation Damage Effects in Candidate Ceramics for Plutonium Immobilization: Final Report

International Nuclear Information System (INIS)

Strachan, Denis M.; Scheele, Randall D.; Icenhower, Jonathan P.; Buck, Edgar C.; Kozelisky, Anne E.; Sell, Rachel L.; Elovich, Robert J.; Buchmiller, William C.

2004-01-01

In this document, we summarize our study of the effects of radiation induced damage to the titanate ceramics that were to be the immobilization form for surplus weapons-grade Pu. In this study, we made five ceramic materials: pure-phase pyrochlore, pure-phase zirconolite, pyrochlore-rich baseline, zirconolite-rich baseline, and impurity baseline. Two-hundred specimens were made of which 130 contained approximately 10 mass% 238Pu and 70 contained 10 mass% 239Pu. The specimens containing 239Pu served as materials against which the behavior of the 238Pu-bearing specimens could be compared. In our studies, we measured the true density (density exclusive of surface connected porosity), bulk density, crystalline-phase composition with X-ray diffraction (XRD), and dissolution rates as radiation induced damage accumulated in the 238Pu-bearing specimens. We routinely took photographs of the specimens during each characterization period. From our studies, we determined that these materials swell less than 10% and generally less than 5%. As the material swells, some open porosity can be converted to closed porosity, often causing the true density to decrease more rapidly than the bulk density. In general, 3?1018 a/g of damage accumulation were required for the materials to become amorphous as determined with the XRD method. The order in which the phases became amorphous was brannerite, pyrochlore, and zirconolite with brannerite being the most susceptible to radiation induced damage. However, we also show that Pu is not evenly distributed amongst the phases when multiple phases are present. We were unsuccessful in making a pure brannerite to study. Therefore, the brannerite was always present with other phases. For a material containing about 10 mass% 239Pu, 3?1018 a/g represent about 500 years in the geologic repository. At no time in our studies was there evidence for microcracking in these materials, even upon close examination in a scanning-electron microscope . Upon

A near-peer teaching program designed, developed and delivered exclusively by recent medical graduates for final year medical students sitting the final objective structured clinical examination (OSCE

Directory of Open Access Journals (Sweden)

Sobowale Oluwaseun

2011-03-01

Full Text Available Abstract Background The General Medical Council states that teaching doctors and students is important for the care of patients. Our aim was to deliver a structured teaching program to final year medical students, evaluate the efficacy of teaching given by junior doctors and review the pertinent literature. Methods We developed a revision package for final year medical students sitting the Objective Structured Clinical Examination (OSCE. The package was created and delivered exclusively by recent medical graduates and consisted of lectures and small group seminars covering the core areas of medicine and surgery, with a focus on specific OSCE station examples. Students were asked to complete a feedback questionnaire during and immediately after the program. Results One hundred and eighteen completed feedback questionnaires were analysed. All participants stated that the content covered was relevant to their revision. 73.2% stated that junior doctors delivered teaching that is comparable to that of consultant - led teaching. 97.9% stated the revision course had a positive influence on their learning. Conclusions Our study showed that recent medical graduates are able to create and deliver a structured, formal revision program and provide a unique perspective to exam preparation that was very well received by our student cohort. The role of junior doctors teaching medical students in a formal structured environment is very valuable and should be encouraged.

Processing development for ceramic structural components: the influence of a presintering of silicon on the final properties of reaction bonded silicon nitride. Final technical report

Energy Technology Data Exchange (ETDEWEB)

1982-03-01

The influence of a presintering of silicon on the final properties of reaction bonded silicon nitride has been studied using scanning electron and optical microscopy, x-ray diffraction analysis, 4 pt. bend test, and mecury intrusion porosimetry. It has been shown that presintering at 1050/sup 0/C will not affect the final nitrided properties. At 1200/sup 0/C, the oxide layer is removed, promoting the formation of B-phase silicon nitride. Presintering at 1200/sup 0/C also results in compact weight loss due to the volatilization of silicon, and the formation of large pores which severely reduce nitrided strength. The development of the structure of sintered silicon compacts appears to involve a temperature gradient, with greater sintering observed near the surface.

Theoretical study of disorder in Ti-substituted La2Zr2O7

International Nuclear Information System (INIS)

Chartier, Alain; Meis, Constantin; Weber, William J.; Corrales, L. Rene

2002-01-01

Pyrochlores have the striking feature that their radiation resistance is highly dependent on their composition. In this work, the propensity of a pyrochlore to transform to a cation-disordered structure and the influence of titanium ions is ascertained from the mechanisms of defect formation. A detailed study of defect formation and migration activation energies in Ti-substituted La 2 Zr 2 O 7 is carried out by modern theoretical computational methods that include the use of a classical interatomic potential with a modified shell model to capture the effects of local charge transfer. The results show that La 2 Zr 2 O 7 has a tendency towards cation disorder, whereas, substitution of Zr with Ti makes this tendency energetically less favorable

The Goettingen high-Tc superconductivity research pool: the effects of structure and structural defects on the performance of high-Tc superconductors. Final reports

International Nuclear Information System (INIS)

1992-02-01

The compilation presents the final reports prepared by the various teams of the Goettingen research pool for high-Tc superconductivity. The reports are entitled: Structure and phase transition in high-Tc superconductors (Krebs/Freyhardt). Preparation and critical properties of high-Tc superconductors (Freyhardt/Heinemann/Zimmermann). EMC measurements in high-Tc superconductors (Bormann/Noelting). Phase analysis of the various phases observed in the preparation of high-Tc superconductors (Faupel/Hehenkamp). Positron annihilation in high-Tc superconductors (Hehenkamp). Preparation and characterization of thin films consisting of superconducting oxide ceramics (v. Minnigerode/Samwer). High-Tc superconductivity in monocrystals (Winzer/Beuermann). Microwave conductivity in high-Tc superconductors (Helberg). High-resolution structural analyses in high-Tc superconductors (Kupcik/Bente). Synthesis, structural analyses and spectroscopy of high-Tc superconductors (Bente). Synthesis, monocrystal growing, crystal structure of high-Tc superconductors (Schwarzmann). Ion-beam-aided studies in high-Tc superconductors (Uhrmacher). (orig./MM) [de

Synthesis, structural and luminescence properties of Bi3+ co-doped Y2Sn2O7:Tb nanoparticles

International Nuclear Information System (INIS)

Nigam, S.; Sudarsan, V.; Vatsa, R.K.

2010-01-01

Full text: In recent years, advanced materials derived from Pyrochlore-type oxides (A 2 B 2 O 7 ) have been of extensive scientific and technological interest. Chemical substitution of A or B sites of pyrochlore oxide by rare earth ions is a widely used approach to prepare thermally stable, lanthanide ion doped luminescent materials. Due to the higher symmetry around the A and B sites in the lattice lanthanide ions like Eu 3+ and Tb 3+ when incorporated at the A or B sites give very poor luminescence. This problem can be avoided by incorporating other ions like Bi 3+ in the lattice so that the lattice gets distorted and luminescent intensity from the lanthanide ions increases. The present study deals with the synthesis and characterization of Bi 3+ co-doped Y 2 Sn 2 O 7 :Tb nanoparticles. For the preparation of Tb 3+ and Bi 3+ doped Y 2 Sn 2 O 7 nano-materials, Sn metal, Bi(NO 3 ) 3 , Tb 4 O 7 , Y 2 CO 3 , were used as starting materials. The solution containing Y 3+ , Sn 4+ ,and Bi 3+ -Tb 3+ in ethylene glycol medium was slowly heated up to 120 deg C and then subjected to urea hydrolysis. The obtained precipitate after washing was heated to 700 deg C. As prepared samples are amorphous in nature and 700 deg C heated sample showed well crystalline pyrochlore structure as revealed by the XRD studies. Average particles size is calculated from the width of the X-ray diffraction peaks and found to be ∼ 5 nm. TEM images of the nanoparticles obtained at 700 deg C shows very fine spherical particles having a diameter in the range of 2-5 nm. Luminescence measurements were carried out for as prepared and 700 deg C heated samples of 2.5%Tb doped Y 2 Sn 2 O 7 nanoparticles. Green emission characteristic 5 D 4 7 F 5 transition of Tb 3+ has been observed from as prepared sample but on heating to 700 deg C the emission characteristic of Tb 3+ ions got completely removed . However, there is a significant improvement in Tb 3+ emission from 2.5% Bi 3+ co-doped Y 2 Sn 2 O 7 :Tb 3

Schedulability Analysis for Java Finalizers

DEFF Research Database (Denmark)

Bøgholm, Thomas; Hansen, Rene Rydhof; Søndergaard, Hans

2010-01-01

Java finalizers perform clean-up and finalisation of objects at garbage collection time. In real-time Java profiles the use of finalizers is either discouraged (RTSJ, Ravenscar Java) or even disallowed (JSR-302), mainly because of the unpredictability of finalizers and in particular their impact...... on the schedulability analysis. In this paper we show that a controlled scoped memory model results in a structured and predictable execution of finalizers, more reminiscent of C++ destructors than Java finalizers. Furthermore, we incorporate finalizers into a (conservative) schedulability analysis for Predictable Java...... programs. Finally, we extend the SARTS tool for automated schedulability analysis of Java bytecode programs to handle finalizers in a fully automated way....

Liandratite from Karkonosze pegmatites, Sudetes, Southwestern Poland

Science.gov (United States)

Matyszczak, Witold

2018-06-01

The chemical composition of liandratite, U6+(Nb,Ta)2O8, was determined from material collected in Niobium, Yttrium, Fluorine type (NYF) pegmatites of the Karkonosze intrusion (Sudetes, SW Poland). Liandratite occurs mainly as rims, up to 40 µm thick, and fracture infillings in fergusonite-(Y) and other Nb-Ta-Ti minerals. Its formation was related to the fluid-driven alteration of primary minerals by three potential mechanisms: (i) direct replacement of a primary mineral by liandratite; (ii) breakdown of the primary mineral to liandratite and a product with the composition of minerals of the pyrochlore group; (iii) multistage alteration, which involved: removal of A-site cations (mostly Y + REE with the exception of U4+) and formation of phases with the composition of pyrochlore group minerals; then crystallization of U-, Bi-, Pb-rich pyrochlores and their replacement by liandratite. The chemical compositions of liandratite formed by the breakdown of different primary minerals are also different, mainly in their U, Ti and Nb contents. Excess Ti, relative to the U6+Nb2O8 end-member, is incorporated into the structure together with additional U. The Ti content of liandratite, and partially through this the U content, are dependent on the nature of the precursor mineral.

Final COMPASS results on the deuteron spin-dependent structure function g1d and the Bjorken sum rule

Directory of Open Access Journals (Sweden)

C. Adolph

2017-06-01

Full Text Available Final results are presented from the inclusive measurement of deep-inelastic polarised-muon scattering on longitudinally polarised deuterons using a 6LiD target. The data were taken at 160 GeV beam energy and the results are shown for the kinematic range 1(GeV/c24GeV/c2 in the mass of the hadronic final state. The deuteron double-spin asymmetry A1d and the deuteron longitudinal-spin structure function g1d are presented in bins of x and Q2. Towards lowest accessible values of x, g1d decreases and becomes consistent with zero within uncertainties. The presented final g1d values together with the recently published final g1p values of COMPASS are used to again evaluate the Bjorken sum rule and perform the QCD fit to the g1 world data at next-to-leading order of the strong coupling constant. In both cases, changes in central values of the resulting numbers are well within statistical uncertainties. The flavour-singlet axial charge a0, which is identified in the MS‾ renormalisation scheme with the total contribution of quark helicities to the nucleon spin, is extracted at next-to-leading order accuracy from only the COMPASS deuteron data: a0(Q2=3(GeV/c2=0.32±0.02stat±0.04syst±0.05evol. Together with the recent results on the proton spin structure function g1p, the results on g1d constitute the COMPASS legacy on the measurements of g1 through inclusive spin-dependent deep inelastic scattering.

Untitled

Indian Academy of Sciences (India)

Materials Science Research Centre, Indian Institute of Technology, Madras 600 036,. India. MS received 10 May 1980. Abstract. Complete series of solid solutions exist in the mixed oxide pyrochlore system, Erº (Vºl. Feºf) vs W:O, with the crystal structure changing from cubic to rhombohedral at x = 0.25. The compounds are ...

Mechanism of mechanochemical synthesis of complex oxides and the peculiarities of their nano-structurization determining sintering

Directory of Open Access Journals (Sweden)

Zyryanov V.V.

2005-01-01

Full Text Available A mechanism of superfast mechanosynthesis reaction for oxide systems is proposed on the base of a dynamics study. The threshold effect and linear dependence of the chemical response on the effective temperature of the reaction zone are established. Major factors are determined: molecular mass of reagents, enthalpy and difference of reagents in Mohs’s hardness, which also influence the composition of the primary product. Primary acts are characterized by a superfast roller mechanism of mass transfer with the formation of a transient dynamic state (D*. Secondary acts slowly approximate the composition of the product to the composition of the starting mixture by diffusion mass transfer in a deformation mixing regime with a contribution of a rotation (roller mechanism. The list of structure types for complex oxides derived by mechanosynthesis includes perovskites, fluorites, pyrochlors, sheelites, and some other ones. Powders of crystal products display multilevel structurization. In all studied complex oxides strong disordering of the “anti-glass” type was observed. The mechanism of sintering was studied in BaTiO3 powders of different origin and in metastable complex oxides derived by mechanosynthesis. The major contribution in shrinkage belongs to rearrangements of crystalline particles as a whole. Structure transformations accompany, as a rule, sintering of inhomogeneous powders derived by mechanosynthesis.

EXAFS and XANES analysis of plutonium and cerium edges from titanate ceramics for fissile materials disposal

International Nuclear Information System (INIS)

Fortner, J. A.; Kropf, A. J.; Bakel, A. J.; Hash, M. C.; Aase, S. B.; Buck, E. C.; Chamerlain, D. B.

1999-01-01

We report x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS) spectra from the plutonium L III edge and XANES from the cerium L II edge in prototype titanate ceramic hosts. The titanate ceramics studied are based upon the hafnium-pyrochlore and zirconolite mineral structures and will serve as an immobilization host for surplus fissile materials, containing as much as 10 weight % fissile plutonium and 20 weight % (natural or depleted) uranium. Three ceramic formulations were studied: one employed cerium as a ''surrogate'' element, replacing both plutonium and uranium in the ceramic matrix, another formulation contained plutonium in a ''baseline'' ceramic formulation, and a third contained plutonium in a formulation representing a high-impurity plutonium stream. The cerium XANES from the surrogate ceramic clearly indicates a mixed III-IV oxidation state for the cerium. In contrast, XANES analysis of the two plutonium-bearing ceramics shows that the plutonium is present almost entirely as Pu(IV) and occupies the calcium site in the zirconolite and pyrochlore phases. The plutonium EXAFS real-space structure shows a strong second-shell peak, clearly distinct from that of PuO 2 , with remarkably little difference in the plutonium crystal chemistry indicated between the baseline and high-impurity formulations

S K Paranjpe

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics. S K Paranjpe. Articles written in Pramana – Journal of Physics. Volume 63 Issue 2 August 2004 pp 189-197 Contributed Papers : Neutron diffraction. Structural study and electrical properties of Zr-doped Nd2Sn2O7 pyrochlore compounds · Y D Kolekar S B Kulkarni Keka ...

Actinides compounds for the transmutation: scientific contributions of american and japanese collaborations; Composes d'actinides pour la transmutation: apports scientifiques de collaborations americaines et japonaises

Energy Technology Data Exchange (ETDEWEB)

Raison, Ph.; Albiot, T

2000-07-01

This paper deals with the minor actinides transmutation and the scientific contribution of the ORNL and the JAERI. It presents researches on the Am-Zr-Y-O system in the framework of the heterogeneous reprocessing, the curium and pyrochlore structures, with the ORNL contribution and phase diagrams, data of Thermodynamics, actinides nitrides, with the JAERI. (A.L.B.)

Actinides compounds for the transmutation: scientific contributions of american and japanese collaborations

International Nuclear Information System (INIS)

Raison, Ph.; Albiot, T.

2000-01-01

This paper deals with the minor actinides transmutation and the scientific contribution of the ORNL and the JAERI. It presents researches on the Am-Zr-Y-O system in the framework of the heterogeneous reprocessing, the curium and pyrochlore structures, with the ORNL contribution and phase diagrams, data of Thermodynamics, actinides nitrides, with the JAERI. (A.L.B.)

Synthesis, characterization and luminescence study of Eu3+ doped Y2Sn2O7 nano-particles

International Nuclear Information System (INIS)

Nigam, Sandeep; Sudarsan, V.; Vatsa, R.K.

2011-01-01

In recent years, advanced materials derived from Pyrochlore-type oxides (A 2 B 2 O 7 ), have been of extensive scientific and technological interest. Chemical substitution of A or B sites of pyrochlore oxide by rare earth ions is a widely used approach to prepare thermally stable, lanthanide ion doped luminescent materials. The present study deals with the synthesis and characterization of Eu 3+ doped Y 2 Sn 2 O 7 : nanoparticles prepared by the hydrolysis of Y 3+ , Sn 4+ , and Eu 3+ in ethylene glycol medium followed by heating at 700 deg C for 4 hours. As prepared samples are amorphous in nature and 700 deg C heated sample showed well crystalline pyrochlore structure in XRD studies. Average particle size is calculated from the width of the X-ray diffraction peaks and found to t be around 5 nm. Luminescence measurements were carried out for as prepared and 700 deg C heated samples. The undoped as prepared sample showed a broad emission peak around 420 nm after excitation at 285 nm. While for 700 deg C undoped heated sample, the peak maxima was shifted to 435 nm. The emission spectrum for doped as prepared samples is characterized by both host emission around 420 nm along with the characteristic Eu 3+ emission peaks in the visible region. However, very poor Eu 3+ emission from heated sample was observed

Tuning structure in epitaxial Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} thin films by using miscut substrates

Energy Technology Data Exchange (ETDEWEB)

Mietschke, M., E-mail: m.mietschke@ifw-dresden.de [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Dresden University of Technology, Faculty of Mechanical Science and Engineering, D-01062 Dresden (Germany); Oswald, S.; Fähler, S. [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Schultz, L. [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Dresden University of Technology, Faculty of Mechanical Science and Engineering, D-01062 Dresden (Germany); Hühne, R. [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany)

2015-08-31

Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PMN–PT) is one of the most promising ferroelectric material for actuator, dielectric and electrocaloric applications. However, oriented and phase pure thin films are essential to use the outstanding properties of these compounds. In this work it is demonstrated that the use of miscut substrates influences the growth mechanism leading to a significantly broader deposition window to achieve the required film quality. Therefore, epitaxial 0.68Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–0.32PbTiO{sub 3} films were grown by pulsed laser deposition on (001)-oriented single crystalline SrTiO{sub 3} (STO) substrates with a miscut angle between 0 and 15° towards the [100] direction using a conducting La{sub 0.7}Sr{sub 0.3}CoO{sub 3} buffer layer. The influence of the vicinal angle on the PMN–PT structure was studied by high resolution X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. A nearly pure perovskite phase growth with a cube-on-cube epitaxial relationship was obtained on all miscut STO substrates, whereas a significant volume fraction of the pyrochlore phase was present on the standard substrate. Reciprocal space measurements revealed a peak split of the perovskite reflections indicating structural variants of PMN–PT with different c/a ratios. An additional tilting of the PMN–PT planes with respect to the buffer layer was observed on some samples, which might be explained with the incorporation of dislocations according to the Nagai model. Polarization loops were measured in a temperature range between room temperature and 150 °C showing a sharp drop of the remanent polarization above 65 °C on vicinal substrates. - Highlights: • Epitaxial growth of pure perovskite Pb (Mg{sub 1}/{sub 3}Nb{sub 2}/{sub 3})O{sub 3}–PbTiO{sub 3} on miscut SrTiO{sub 3}. • Significant broadening of the deposition window for pyrochlore-free films. • Dependence of the structural parameters

Structure-Reactivity Relationships in Multi-Component Transition Metal Oxide Catalysts FINAL Report

Energy Technology Data Exchange (ETDEWEB)

Altman, Eric I. [Yale Univ., New Haven, CT (United States)

2015-10-06

The focus of the project was on developing an atomic-level understanding of how transition metal oxide catalysts function. Over the course of several renewals the specific emphases shifted from understanding how local structure and oxidation state affect how molecules adsorb and react on the surfaces of binary oxide crystals to more complex systems where interactions between different transition metal oxide cations in an oxide catalyst can affect reactivity, and finally to the impact of cluster size on oxide stability and reactivity. Hallmarks of the work were the use of epitaxial growth methods to create surfaces relevant to catalysis yet tractable for fundamental surface science approaches, and the use of scanning tunneling microscopy to follow structural changes induced by reactions and to pinpoint adsorption sites. Key early findings included the identification of oxidation and reduction mechanisms on a tungsten oxide catalyst surface that determine the sites available for reaction, identification of C-O bond cleavage as the rate limiting step in alcohol dehydration reactions on the tungsten oxide surface, and demonstration that reduction does not change the favored reaction pathway but rather eases C-O bond cleavage and thus reduces the reaction barrier. Subsequently, a new reconstruction on the anatase phase of TiO₂ relevant to catalysis was discovered and shown to create sites with distinct reactivity compared to other TiO₂ surfaces. Building on this work on anatase, the mechanism by which TiO₂ enhances the reactivity of vanadium oxide layers was characterized and it was found that the TiO₂ substrate can force thin vanadia layers to adopt structures they would not ordinarily form in the bulk which in turn creates differences in reactivity between supported layers and bulk samples. From there, the work progressed to studying well-defined ternary oxides where synergistic effects between the two cations can induce

Final Report for Geometric Analysis for Data Reduction and Structure Discovery DE-FG02-10ER25983, STRIPES award # DE-SC0004096

Energy Technology Data Exchange (ETDEWEB)

Vixie, Kevin R. [Washington State Univ., Pullman, WA (United States)

2014-11-27

This is the final report for the project "Geometric Analysis for Data Reduction and Structure Discovery" in which insights and tools from geometric analysis were developed and exploited for their potential to large scale data challenges.

Review and Perspectives of Aurivillius Structures as a Lead-Free Piezoelectric System

Directory of Open Access Journals (Sweden)

Alberto Moure

2018-01-01

Full Text Available According to the EU-Directives 2002/95/EC, 2002/96/EC, lead-based piezoceramics must be substituted in the future with more environmentally friendly alternatives, only when a reliable alternative is found. This is why an increasing interest has grown in the research community to find lead free piezoelectric materials that fulfil the requirements for this substitution. Different families of compounds have been shown to be possible candidates for this use, such as bismuth and niobates based perovskites, pyrochlores, etc. However, a material with piezoelectric coefficients similar to those of PZT (lead zirconate titanate, Pb[ZrxTi1-x]O3 has not been yet found. Besides, each of these families has its specific characteristics in terms of remnant polarization, coercive field or application temperature. Thus, the choice of each material should be made according to the specific needs of the application. In this sense, Aurivillius-type structure materials (also known as Bismuth Layered Structure Ferroelectrics, BLSF can take advantage of their specific properties for uses as Lead Free Piezoelectric systems. Some of them have a high Curie temperature, which make them good candidates to be used as high temperature piezoelectrics; high coercive fields, which facilitates their use as actuators; or a high switching fatigue resistance, which can be useful for future applications as Ferroelectric Random Access Memories (FERAM.

Vadose zone microbial community structure and activity in metal/radionuclide contaminated sediments. Final technical report

Energy Technology Data Exchange (ETDEWEB)

Balkwill, David L.

2002-08-17

This final technical report describes the research carried out during the final two months of the no-cost extension ending 11/14/01. The primary goals of the project were (1) to determine the potential for transformation of Cr(VI) (oxidized, mobile) to Cr(III) (reduced, immobile) under unsaturated conditions as a function of different levels and combinations of (a) chromium, (b) nitrate (co-disposed with Cr), and (c) molasses (inexpensive bioremediation substrate), and (2) to determine population structure and activity in experimental treatments by characterization of the microbial community by signature biomarker analysis and by RT-PCR and terminal restriction fragment length polymorphism (T-RFLP) and 16S ribosomal RNA genes. It was determined early in the one-year no-cost extension period that the T-RFLP approach was problematic in regard to providing information on the identities of microorganisms in the samples examined. As a result, it could not provide the detailed information on microbial community structure that was needed to assess the effects of treatments with chromium, nitrate, and/or molasses. Therefore, we decided to obtain the desired information by amplifying (using TR-PCR, with the same primers used for T-RFLP) and cloning 16S rRNA gene sequences from the same RNA extracts that were used for T-RFLP analysis. We also decided to use a restriction enzyme digest procedure (fingerprinting procedure) to place the clones into types. The primary focus of the research carried out during this report period was twofold: (a) to complete the sequencing of the clones, and (b) to analyze the clone sequences phylogenetically in order to determine the relatedness of the bacteria detected in the samples to each other and to previously described genera and species.

Europium-Doped Lanthanum Hafnate Nanoparticles: Structure, Photoluminescence, and Radioluminescence

Science.gov (United States)

Wahid, Kareem; Pokhrel, Madhab; Mao, Yuanbing

Due to their novel physical properties, nanostructured phosphors are of interest for radiation-based imaging and therapeutics. Herein, the structural and luminescent properties of europium-doped lanthanum hafnate (La2Hf2O7:xmol%Eu3+, x = 0 - 35) nanoparticles are investigated for use as scintillators. X-ray diffraction, Raman spectroscopy, and scanning electron microscopy confirm samples prepared through a combined co-precipitation and low-temperature molten salt synthetic process homogenously form spherical nanocrystals of 36 nm in the ordered pyrochlore phase. Ultraviolet and X-ray excitation of these samples induce strong red emissions in the 580 - 590 and 612 - 630 nm range corresponding to the 5D0->7 F1 magnetic dipole and 5D0->7 F2 electric dipole transitions of Eu3+. Optical response and quantum yield are optimized at 5% Eu3+; a proposed trade-off between quenching mechanisms (defect-states/cross-relaxation) and dopant concentration is discussed. Owing to their high density, large effective atomic number, and bright luminescence, these La2Hf2O7:xmol%Eu3+ nanoparticles warrant further investigation for scintillator applications. The authors thank the support from the Defense Threat Reduction Agency of the U.S. Department of Defense (award #HDTRA1- 10-1-0114).

Stability of Bulk Metallic Glass Structure. Final Report

Energy Technology Data Exchange (ETDEWEB)

Jain, H.; Williams, D. B.

2003-06-01

The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub 80-x}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

Design of medium band gap Ag-Bi-Nb-O and Ag-Bi-Ta-O semiconductors for driving direct water splitting with visible light.

Science.gov (United States)

Wang, Limin; Cao, Bingfei; Kang, Wei; Hybertsen, Mark; Maeda, Kazuhiko; Domen, Kazunari; Khalifah, Peter G

2013-08-19

Two new metal oxide semiconductors belonging to the Ag-Bi-M-O (M = Nb, Ta) chemical systems have been synthesized as candidate compounds for driving overall water splitting with visible light on the basis of cosubstitution of Ag and Bi on the A-site position of known Ca2M2O7 pyrochlores. The low-valence band edge energies of typical oxide semiconductors prevents direct water splitting in compounds with band gaps below 3.0 eV, a limitation which these compounds are designed to overcome through the incorporation of low-lying Ag 4d(10) and Bi 6s(2) states into compounds of nominal composition "AgBiM2O7". It was found that the "AgBiTa2O7" pyrochlores are in fact a solid solution with an approximate range of Ag(x)Bi(5/6)Ta2O(6.25+x/2) with 0.5 semiconductors with the onset of strong direct absorption at 2.72 and 2.96 eV, respectively. Electronic structure calculations for an ordered AgBiNb2O7 structure show that the band gap reduction and the elevation of the valence band primarily result from hybridized Ag d(10)-O 2p orbitals that lie at higher energy than the normal O 2p states in typical pyrochlore oxides. While the minimum energy gap is direct in the band structure, the lowest energy dipole allowed optical transitions start about 0.2 eV higher in energy than the minimum energy transition and involve different bands. This suggests that the minimum electronic band gap in these materials is slightly smaller than the onset energy for strong absorption in the optical measurements. The elevated valence band energies of the niobate and tantalate compounds are experimentally confirmed by the ability of these compounds to reduce 2 H(+) to H2 gas when illuminated after functionalization with a Pt cocatalyst.

Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

John Ross

2003-04-30

The Final Technical Report summarizes research accomplishments and Publications in the period of 5/1/99 to 4/30/03 done on the grant. Extensive progress was made in the period covered by this report in the areas of chemical kinetics of non-linear systems; spatial structures, reaction - diffusion systems, and thermodynamic and stochastic theory of electrochemical and general systems.

Double exchange model on triangular lattice: Non-coplanar spin configuration and phase transition near quarter filling

Energy Technology Data Exchange (ETDEWEB)

Zhang, G.P., E-mail: bugubird_zhang@hotmail.com [Department of Physics, Renmin University of China, Beijing 100872 (China); Zhang, Jian [3M Company, 3M Corporate Headquarters, 3M Center, St. Paul, MN 55144-1000 (United States); Zhang, Qi-Li [Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China); Zhou, Jiang-Tao [College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); Shangguan, M.H. [Department of Physics, Renmin University of China, Beijing 100872 (China)

2013-05-15

Unconventional anomalous Hall effect in frustrated pyrochlore oxides is originated from spin chirality of non-coplanar localized spins, which can also be induced by the competition between ferromagnetic (FM) double exchange interaction J{sub H} and antiferromagnetic superexchange interaction J{sub AF}. Here truncated polynomial expansion method and Monte Carlo simulation are adopted to investigate the above model on two-dimensional triangular lattice. We discuss the influence of the range of FM-type spin–spin correlation and strong electron–spin correlation on the truncation error of spin–spin correlation near quarter filling. Two peaks of the probability distribution of spin–spin correlation in non-coplanar spin configuration clearly show that non-coplanar spin configuration is an intermediate phase between FM and 120° spin phase. Near quarter filling, there is a phase transition from FM into non-coplanar and further into 120° spin phase when J{sub AF} continually increases. Finally the effect of temperature on the magnetic structure is discussed.

Topological honeycomb magnon Hall effect: A calculation of thermal Hall conductivity of magnetic spin excitations

Energy Technology Data Exchange (ETDEWEB)

Owerre, S. A., E-mail: solomon@aims.ac.za [African Institute for Mathematical Sciences, 6 Melrose Road, Muizenberg, Cape Town 7945, South Africa and Perimeter Institute for Theoretical Physics, 31 Caroline St. N., Waterloo, Ontario N2L 2Y5 (Canada)

2016-07-28

Quite recently, the magnon Hall effect of spin excitations has been observed experimentally on the kagome and pyrochlore lattices. The thermal Hall conductivity κ{sup xy} changes sign as a function of magnetic field or temperature on the kagome lattice, and κ{sup xy} changes sign upon reversing the sign of the magnetic field on the pyrochlore lattice. Motivated by these recent exciting experimental observations, we theoretically propose a simple realization of the magnon Hall effect in a two-band model on the honeycomb lattice. The magnon Hall effect of spin excitations arises in the usual way via the breaking of inversion symmetry of the lattice, however, by a next-nearest-neighbour Dzyaloshinsky-Moriya interaction. We find that κ{sup xy} has a fixed sign for all parameter regimes considered. These results are in contrast to the Lieb, kagome, and pyrochlore lattices. We further show that the low-temperature dependence on the magnon Hall conductivity follows a T{sup 2} law, as opposed to the kagome and pyrochlore lattices. These results suggest an experimental procedure to measure thermal Hall conductivity within a class of 2D honeycomb quantum magnets and ultracold atoms trapped in a honeycomb optical lattice.

Applications in soil-structure interactions. Final report, June 1979

International Nuclear Information System (INIS)

Jhaveri, D.P.

1979-01-01

Complex phenomenon of soil-structure interaction was assessed. Relationships between the characteristics of the earthquake ground motions, the local soil and geologic conditions, and the response of the structures to the ground motions were studied. (I) The use of the explicit finite-difference method to study linear elastic soil-structure interaction is described. A linear two-dimensional study of different conditions that influence the dynamic compliance and scattering properties of foundations is presented. (II) The FLUSH computer code was used to compute the soil-structure interaction during SIMQUAKE 1B, an experimental underground blast excitation of a 1/12-scale model of a nuclear containment structure. Evaluation was performed using transient excitation, applied to a finite-difference grid. Dynamic foundation properties were studied. Results indicate that the orientation and location of the source relative to the site and the wave environment at the site may be important parameters to be considered. Differences between the computed and experimental recorded responses are indicated, and reasons for the discrepancy are suggested. (III) A case study that examined structural and ground response data tabulated and catalogued from tests at the Nevada Test Site for its applicability to the soil-structure interaction questions of interest is presented. Description, methods, and evaluation of data on soil-structure interaction from forced vibration tests are presented. A two-dimensional finite-difference grid representing a relatively rigid structure resting on uniform ground was analyzed and monitored. Fourier spectra of monitored time histories were also evaluated and are presented. Results show clear evidence of soil-structure interaction and significant agreement with theory. 128 figures, 18 tables

Structure, Raman spectra and defect chemistry modelling of conductive pyrochlore oxides

DEFF Research Database (Denmark)

Poulsen, F.W.; Glerup, M.; Holtappels, P.

2000-01-01

-O(x) and V-O on the O site, interstitial oxygens O-i", and delocalised electrons and electron holes. Four mass action law expressions govern such a model. The defect model can rationalise why home-valent doping, i.e. substitution of Zr(4+) by Ce(4+), can lead to an increase in ionic conductivity...

Sintering Characteristics of Multilayered Thermal Barrier Coatings Under Thermal Gradient and Isothermal High Temperature Annealing Conditions

Science.gov (United States)

Rai, Amarendra K.; Schmitt, Michael P.; Bhattacharya, Rabi; Zhu, Dongming; Wolfe, Douglas E.

2014-01-01

Pyrochlore oxides have most of the relevant attributes for use as next generation thermal barrier coatings such as phase stability, low sintering kinetics and low thermal conductivity. One of the issues with the pyrochlore oxides is their lower toughness and therefore higher erosion rate compared to the current state-of-the-art TBC material, yttria (6 to 8 wt%) stabilized zirconia (YSZ). In this work, sintering characteristics were investigated for novel multilayered coating consisted of alternating layers of pyrochlore oxide viz Gd2Zr2O7 and t' low k (rare earth oxide doped YSZ). Thermal gradient and isothermal high temperature (1316 C) annealing conditions were used to investigate sintering and cracking in these coatings. The results are then compared with that of relevant monolayered coatings and a baseline YSZ coating.

Cassini's Grand Finale Overview

Science.gov (United States)

Spilker, L. J.

2017-12-01

After 13 years in orbit, the Cassini-Huygens Mission to Saturn ended in a science-rich blaze of glory. Cassini sent back its final bits of unique science data on September 15, 2017, as it plunged into Saturn's atmosphere, vaporizing and satisfying planetary protection requirements. Cassini's final phase covered roughly ten months and ended with the first time exploration of the region between the rings and planet. In late 2016 Cassini transitioned to a series of 20 Ring Grazing orbits with peripases just outside Saturn's F ring, providing close flybys of tiny ring moons, including Pan, Daphnis and Atlas, and high-resolution views of Saturn's A and F rings. A final Titan flyby in late April 2017 propelled Cassini across Saturn's main rings and into its Grand Finale orbits. Comprised of 22 orbits, Cassini repeatedly dove between Saturn's innermost rings and upper atmosphere to answer fundamental questions unattainable earlier in the mission. The last orbit turned the spacecraft into the first Saturn atmosphere probe. The Grand Finale orbits provided highest resolution observations of both the rings and Saturn, and in-situ sampling of the ring particle composition, Saturn's atmosphere, plasma, and innermost radiation belts. The gravitational field was measured to unprecedented accuracy, providing information on the interior structure of the planet, winds in the deeper atmosphere, and mass of the rings. The magnetic field provided insight into the physical nature of the magnetic dynamo and structure of the internal magnetic field. The ion and neutral mass spectrometer sampled the upper atmosphere for molecules that escape the atmosphere in addition to molecules originating from the rings. The cosmic dust analyzer directly sampled the composition from different parts of the main rings for the first time. Fields and particles instruments directly measured the plasma environment between the rings and planet. Science highlights and new mysteries collected in the Grand

Phase transition in metastable perovskite Pb(AlNb)0,5O3

International Nuclear Information System (INIS)

Zhabko, T.E.; Olekhnovich, N.M.; Shilin, A.D.

1987-01-01

Dielectric properties of metastable perovskite Pb(AlNb) 0.5 O 3 and X-ray temperature investigations of both perovskite and pyrochlore modifications of the given compound are studied. Samples with the perovskite structure are prepared from the pyrochlorephase at 4-5 GPa pressure and 1170-1270 K. Ferroelectric phase transition is shown to occur in the metastable perovskite phase Pb(AlNb) 0.5 O 3 at 170 K

Attitudes towards a final repository for the spent nuclear fuel. Structure and causes

International Nuclear Information System (INIS)

Sjoeberg, Lennart

2008-09-01

This report presents the results of a questionnaire survey of attitudes towards a final repository for the spent nuclear fuel. The questionnaire was mailed to 3,000 persons. Participants were young and older people in Oskarshamn municipality and Oesthammar municipality as well as in the rest of the country. Fifty-one percent responded. The questionnaire included a large number of questions of possible relevance for understanding the structure of and reasons for the person's attitude towards a final repository. Questions concerning nuclear power were dealt with in a special section. Men were more positively disposed towards a repository than women, older people more than young. The gender differences are mainly attributable to the variation in attitude towards nuclear power and concern about nuclear accidents. In the case of older people, interest was also a factor. Young people were not as interested in the issue. The most important factor in determining the attitude towards a final repository was the benefit it was expected to bring to the municipality. Moral and emotional aspects were also important. Risk played a relatively subordinate role. Social aspects were very important: those who frequently spoke with people who were positively disposed tended to be positive themselves, and vice versa for those who were negative. This factor could explain some of the gender differences in attitude. Attitudes in Oskarshamn were slightly more positive than in Oesthammar, probably due to the fact that the residents in Oskarshamn had a greater sense of participation in the municipality's decision in the matter. Information from SKB was also found to be an important factor for the differences in attitude between the municipalities. Eight percentage points more people had received information in Oskarshamn than in Oesthammar. The difference may be small, but it exists and does appear to be of some importance. Attitudes in Oskarshamn and Oesthammar continued to be much more

Cassini's Grand Finale Science Highlights

Science.gov (United States)

Spilker, Linda

2017-10-01

After 13 years in orbit, the Cassini-Huygens Mission to Saturn ended in a science-rich blaze of glory. Cassini returned its final bits of unique science data on September 15, 2017, as it plunged into Saturn's atmosphere satisfying planetary protection requirements. Cassini's Grand Finale covered a period of roughly five months and ended with the first time exploration of the region between the rings and planet.The final close flyby of Titan in late April 2017 propelled Cassini across Saturn’s main rings and into its Grand Finale orbits; 22 orbits that repeatedly dove between Saturn’s innermost rings and upper atmosphere making Cassini the first spacecraft to explore this region. The last orbit turned the spacecraft into the first Saturn upper atmospheric probe.The Grand Finale orbits provided highest resolution observations of both the rings and Saturn, and in-situ sampling of the ring particle composition, Saturn's atmosphere, plasma, and innermost radiation belts. The gravitational field was measured to unprecedented accuracy, providing information on the interior structure of the planet, winds in the deeper atmosphere, and mass of the rings. The magnetic field provided insight into the physical nature of the magnetic dynamo and structure of the internal magnetic field. The ion and neutral mass spectrometer sampled the upper atmosphere for molecules that escape the atmosphere in addition to molecules originating from the rings. The cosmic dust analyzer directly sampled the composition from different parts of the main rings for the first time. Fields and particles instruments directly measured the plasma environment between the rings and planet.Science highlights and new mysteries gleaned to date from the Grand Finale orbits will be discussed.The research described in this paper was carried out in part at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. Copyright 2017

Integration of epitaxial Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films on GaN/AlGaN/GaN/Si(111) substrates using rutile TiO{sub 2} buffer layers

Energy Technology Data Exchange (ETDEWEB)

Elibol, K. [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands); Nguyen, M.D. [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands); SolMateS B.V., Drienerlolaan 5, Building 6, 7522NB Enschede (Netherlands); International Training Institute for Materials Science, Hanoi University of Science and Technology, No.1 Dai Co Viet road, Hanoi 10000 (Viet Nam); Hueting, R.J.E. [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands); Gravesteijn, D.J. [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands); NXP Semiconductors Research, High Tech Campus 46, 5656AE Eindhoven (Netherlands); Koster, G., E-mail: g.koster@utwente.nl [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands); Rijnders, G. [MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands)

2015-09-30

The integration of ferroelectric layers on gallium nitride (GaN) offers a great potential for various applications. Lead zirconate titanate (PZT), in particular Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3}, is an interesting candidate. For that a suitable buffer layer should be grown on GaN in order to prevent the reaction between PZT and GaN, and to obtain PZT with a preferred orientation and phase. Here, we study pulsed laser deposited (100) rutile titanium oxide (R-TiO{sub 2}) as a potential buffer layer candidate for ferroelectric PZT. For this purpose, the growth, morphology and the surface chemical composition of R-TiO{sub 2} films were analyzed by reflection high-energy electron diffraction, atomic force microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. We find optimally (100) oriented R-TiO{sub 2} growth on GaN (0002) using a 675 °C growth temperature and 2 Pa O{sub 2} deposition pressure as process conditions. More importantly, the R-TiO{sub 2} buffer layer grown on GaN/Si substrates prevents the unwanted formation of the PZT pyrochlore phase. Finally, the remnant polarization and coercive voltage of the PZT film on TiO{sub 2}/GaN/Si with an interdigitated-electrode structure were found to be 25.6 μC/cm{sup 2} and 8.1 V, respectively. - Highlights: • Epitaxial rutile TiO{sub 2} films were grown on GaN layer buffered Si substrate using pulsed laser deposition. • The rutile-TiO{sub 2} layer suppresses the formation of the pyrochlore phase in the epitaxial PZT film grown on GaN/Si. • An epitaxial PZT film on GaN/Si substrate with rutile TiO{sub 2} buffer layer exhibits good ferroelectric properties.

Nonlinear soil-structure interaction analysis of SIMQUAKE II. Final report

International Nuclear Information System (INIS)

Vaughan, D.K.; Isenberg, J.

1982-04-01

This report describes an analytic method for modeling of soil-structure interaction (SSI) for nuclear power plants in earthquakes and discusses its application to SSI analyses of SIMQUAKE II. The method is general and can be used to simulate a three-dimensional structural geometry, nonlinear site characteristics and arbitrary input ground shaking. The analytic approach uses the soil island concept to reduce SSI models to manageable size and cost. Nonlinear constitutive behavior of the soil is represented by the nonlinear, kinematic cap model. In addition, a debonding-rebonding soil-structure interface model is utilized to represent nonlinear effects which singificantly alter structural response in the SIMQUAKE tests. STEALTH, an explicit finite difference code, is used to perform the dynamic, soil-structure interaction analyses. Several two-dimensional posttest SSI analyses of model containment structures in SIMQUAKE II are performed and results compared with measured data. These analyses qualify the analytic method. They also show the importance of including debonding-rebonding at the soil-structure interface. Sensitivity of structural response to compaction characteristics of backfill material is indicated

Luminescence studies on Sb3+ co-doped Y2Sn2O7: Tb nanoparticles

International Nuclear Information System (INIS)

Nigam, Sandeep; Sudarsan, V.; Vatsa, R.K.

2008-01-01

Pyrochlore-type oxides (A 2 B 2 O 7 ) have emerged as important host matrices for lanthanide doped luminescent materials due to their good thermal stability. Due to the higher symmetry around the A and B cations in the lattice lanthanide ions like Eu 3+ and Tb 3+ when incorporated at the A or B sites give very poor luminescence. One way to circumvent this problem is to incorporate ions like Sb 3+ or Bi 3+ in the lattice so that the lattice get distorted and luminescent intensity from the lanthanide ions increases. The present study deals with the synthesis and characterisation of Sb 3+ co-doped Y 2 Sn 2 O 7 :Tb nanoparticles prepared by the hydrolysis of Y 3+ , Sn 4+ , Tb 3+ and Sb 3+ in ethylene glycol medium followed by heating at 700 deg C for 4 hours. From XRD studies it is confirmed that as prepared sample is amorphous and heat treatment at 700 deg C results in the formation of highly crystalline Y 2 Sn 2 O 7 phase having pyrochlore structure

Deposition of highly (111)-oriented PZT thin films by using metal organic chemical deposition

CERN Document Server

Bu, K H; Choi, D K; Seong, W K; Kim, J D

1999-01-01

Lead zirconate titanate (PZT) thin films have been grown on Pt/Ta/SiNx/Si substrates by using metal organic chemical vapor deposition with Pb(C sub 2 H sub 5) sub 4 , Zr(O-t-C sub 4 H sub 9) sub 4 , and Ti(O-i-C sub 3 H sub 7) sub 4 as source materials and O sub 2 as an oxidizing gas. The Zr fraction in the thin films was controlled by varying the flow rate of the Zr source material. The crystal structure and the electrical properties were investigated as functions of the composition. X-ray diffraction analysis showed that at a certain range of Zr fraction, highly (111)-oriented PZT thin films with no pyrochlore phases were deposited. On the other hand, at low Zr fractions, there were peaks from Pb-oxide phases. At high Zr fractions, peaks from pyrochlore phase were seen. The films also showed good electrical properties, such as a high dielectric constant of more than 1200 and a low coercive voltage of 1.35 V.

Lattice dynamical investigation of the Raman and infrared wave numbers and heat capacity properties of the pyrochlores R2Zr2O7 (R = La, Nd, Sm, Eu)

Science.gov (United States)

Nandi, S.; Jana, Y. M.; Gupta, H. C.

2018-04-01

A short-range electrostatic forcefield model has been applied for the first time to investigate the Raman and infrared wave numbers in pyrochlore zirconates R2Zr2O7 (R3+ = La, Nd, Sm, Eu). The calculations of phonons involve five stretching and four bending force constants in the Wilson GF matrix method. The calculated phonon wave numbers are in reasonable agreement with the observed spectra in infrared and Raman excitation zones for all of these isomorphous compounds. The contributions of force constants to each mode show a similar trend of variation for all of these compounds. Furthermore, to validate the established forcefield model, we calculated the standard thermodynamic functions, e.g., molar heat capacity, entropy and enthalpy, and compared the results with the previous experimental data for each compound. Using the derived wave numbers for the acoustic and optical modes, the total phonon contribution to the heat capacity was calculated for all these zirconate compounds. The Schottky heat capacity contributions were also calculated for the magnetic compounds, Nd2Zr2O7, Sm2Zr2O7 and Eu2Zr2O7, taking account of crystal-field level schemes of the lanthanide ions. The derived total heat capacity and the integrated values of molar entropy and molar enthalpy showed satisfactory correlations at low temperatures with the experimental results available in the literature for these compounds. At higher temperatures, the discrepancies may be caused by the anharmonic effects of vibrations, phonon dispersion, distribution of phonon density of states, etc.

Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials

Energy Technology Data Exchange (ETDEWEB)

Lindle, Dennis W.

2011-04-21

Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate “real” waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

Atomic structure of highly-charged ions. Final report

International Nuclear Information System (INIS)

Livingston, A. Eugene

2002-01-01

Atomic properties of multiply charged ions have been investigated using excitation of energetic heavy ion beams. Spectroscopy of excited atomic transitions has been applied from the visible to the extreme ultraviolet wavelength regions to provide accurate atomic structure and transition rate data in selected highly ionized atoms. High-resolution position-sensitive photon detection has been introduced for measurements in the ultraviolet region. The detailed structures of Rydberg states in highly charged beryllium-like ions have been measured as a test of long-range electron-ion interactions. The measurements are supported by multiconfiguration Dirac-Fock calculations and by many-body perturbation theory. The high-angular-momentum Rydberg transitions may be used to establish reference wavelengths and improve the accuracy of ionization energies in highly charged systems. Precision wavelength measurements in highly charged few-electron ions have been performed to test the most accurate relativistic atomic structure calculations for prominent low-lying excited states. Lifetime measurements for allowed and forbidden transitions in highly charged few-electron ions have been made to test theoretical transition matrix elements for simple atomic systems. Precision lifetime measurements in laser-excited alkali atoms have been initiated to establish the accuracy of relativistic atomic many-body theory in many-electron systems

Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages. Final Report. Volume II, Sentence Structure.

Science.gov (United States)

Longacre, Robert E.

Volume II of "Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages" begins with an explanation of certain assumptions and postulates regarding sentence structure. A detailed treatment of systems of sentence structure and the parameters of such systems follows. Data in the various indigenous languages are…

Annual Report 2000. Chemical Structure and Dynamics; FINAL

International Nuclear Information System (INIS)

Colson, Steve D; McDowell, Rod S

2001-01-01

This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS and D) program is meeting the need for a fundamental, molecular-level understanding by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and (3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems

Effect of Starting As-cast Structure on the Microstructure-Texture Evolution During Subsequent Processing and Finally Ridging Behavior of Ferritic Stainless Steel

Science.gov (United States)

Modak, Pranabananda; Patra, Sudipta; Mitra, Rahul; Chakrabarti, Debalay

2018-06-01

Effect of the initial as-cast structure on the microstructure-texture evolution during thermomechanical processing of 409L grade ferritic stainless steel was studied. Samples from the regions of cast slab having `columnar,' `equiaxed,' and a mixture of `columnar' and `equiaxed' grains were subjected to two different processing schedules: one with intermediate hot-band annealing before cold-rolling followed by final annealing, and another without any hot-band annealing. EBSD study reveals that large columnar crystals with cube orientation are very difficult to deform and recrystallize uniformly. Resultant variations in ferrite grain structure and retention of cube-textured band in cold-rolled and annealed sheet contribute to ridging behavior during stretch forming. Initial equiaxed grain structure is certainly beneficial to reduce or even eliminate ridging defect by producing uniform ferrite grain structure, free from any texture banding. Application of hot-band annealing treatment is also advantageous as it can maximize the evolution of beneficial gamma-fiber texture and eliminate the ridging defect in case of completely `equiaxed' starting structure. Such treatment reduces the severity of ridging even if the initial structure contains typically mixed `columnar-equiaxed' grains.

Synthesis and characterization of organic-inorganic hybrids formed between conducting polymers and crystalline antimonic acid

Directory of Open Access Journals (Sweden)

Beleze Fábio A.

2001-01-01

Full Text Available In this paper we report the synthesis and characterization of novel organic-inorganic hybrid materials between the crystalline antimonic acid (CAA and two conductive polymers: polypyrrole and polyaniline. The hybrids were obtained by in situ oxidative polymerization of monomers by the Sb(V present in the pyrochlore-like CAA structure. The materials were characterized by infrared and Raman spectroscopy, X-ray diffraction, cyclic voltammetry, CHN elemental analysis and electronic paramagnetic resonance spectroscopy. The results showed that both polymers were formed in their oxidized form, with the CAA structure acting as a counter anion.

Local atomic and electronic structure in glassy metallic alloys. Final report, March 1, 1979-May 31, 1982

International Nuclear Information System (INIS)

Messmer, R.P.; Wong, J.

1982-01-01

The research results reported, represent the first coordinated experimental-theoretical effort to arrive at important local atomic and electronic structure information in glassy alloys. During the three years covered by the contract, significant experimental and theoretical developments have taken place both in the general technical community and at General Electric which have had an important impact on the approach to this problem. This is particularly true in the theoretical area where two important advances, the development of a general Xα-LCAO approach, and the development of a general and accurate effective potential approach for density functional methods, have allowed us to construct a new computational capability which combines these two advances. Two subsections briefly review the experimental and theoretical technical developments, respectively. These developments have changed initial perspectives regarding research on local atomic and electronic structure in glassy metallic alloys. Section II presents a synopsis of our accomplishments during the contract period and Section III contains a more detailed discussion of some of these accomplishments, namely those portions of the work which have been published or submitted for publication at the time of writing this final report

Monazite-type ceramics for conditioning of minor actinides. Structural characterization and properties

International Nuclear Information System (INIS)

Babelot, Carole

2013-01-01

The minor actinides (MA) neptunium, americium, and curium are mainly responsible for the long-term radiotoxicity of the High Active Waste (HAW) generated during the nuclear power operation. If these long-lived radionuclides are removed from the HAW by partitioning and converted by neutron fission (transmutation) into shorter-lived or stable elements, the remaining waste loses most of its long-term radiotoxicity. Thus, partitioning and transmutation (P and T) are considered as attractive options for reducing the burden on geological disposals. As an alternative, these separated MA can also be conditioned (P and C strategy) in specifically adapted ceramics to ensure their safe final disposal over long periods. At the moment, spent fuel elements are foreseen either for direct disposal in deep geological repositories or for reprocessing. The highly active liquid waste that is produced during reprocessing is conditioned industrially using a vitrification process before final disposal. Although the widely used borosilicate glasses meet most of the specifications needed, ceramic host matrices appear to be even more suitable in terms of resistance to corrosion. The development of new materials based on tailor-made highly specific ceramics with extremely stable behavior would make it possible to improve the final storage of long-lived high-level radiotoxic waste. In the framework of this PhD research project, monazite-type ceramics were chosen as promising host matrices for the conditioning of trivalent actinides. The focus on the monazite-type ceramics is justified by their properties such as high chemical durability. REPO 4 ceramics are named monazite for RE = La - Gd (monoclinic symmetry) and xenotime for RE = Tb - Lu and Y (tetragonal symmetry). The objective of this study is to contribute to the understanding of the alteration behavior of such ceramics under the repository conditions. REPO 4 (with RE = La, Eu) is prepared by hydrothermal synthesis at 200 C. Structural

Nd{sub 2±x}Zr{sub 2∓x}O{sub 7±x/2} (−0.2≤x≤0.4) complex oxides: Effect of anion disorder on ionic conductivity

Energy Technology Data Exchange (ETDEWEB)

Anithakumari, P., E-mail: anithakumari21-02@yahoo.co.in; Grover, V.; Tyagi, A. K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai, India-400085 (India)

2016-05-23

In the present work, a series of Nd{sub 2±x}Zr{sub 2∓x}O{sub 7±x/2} (−0.2≤x≤0.4) was prepared by self assisted gel-combution method followed by high temperature sintering at 1673 K. Thorough structural characterizations were done by X-ray diffraction and Raman spectroscopic techniques. The nominal compositions Nd{sub 1.6}Zr{sub 2.4}O{sub 7.2} and Nd{sub 1.8}Zr{sub 2.2}O{sub 7.1} were found to possess single-phasic pyrochlore structure whereas Nd{sub 2.0}Zr{sub 2.0}O{sub 7} and Nd{sub 2.2}Zr{sub 1.8}O{sub 6.9} consisted of a pyrochlore phase and a small amount of hexagonal Nd{sub 2}O{sub 3} as an impurity phase. Electrical behavior of the samples was examined by AC impedance analysis. Even though the activation energies of all the samples are not very different, a high pre-exponential factor for the Nd{sub 1.6}Zr{sub 2.4}O{sub 7.2} composition resulted in high ionic conductivity (3.37 × 10{sup −3} Scm{sup −1} at 773 K). This high ionic conductivity value makes it a superior candidate as an electrolyte material for SOFC applications.

Feasibility demonstration of consolidating porous beryllium/carbon structures. Final report

International Nuclear Information System (INIS)

Browning, M.J.; Hoover, G.E.; Mueller, J.J.; Hanes, H.D.

1977-01-01

A preliminary feasibility study was initiated to determine if porous beryllium structures could be fabricated by consolidating beryllium-coated microballoons into a rigid structure. The target specifications were to coat nominally 1-mm diameter microspheres with 0.5-mil beryllium coatings and then bond into a structure. Because of the very short time period, it was agreeable to use existing or quickly-available materials. The general approach was to apply coatings to carbon or quartz microspheres. Physical vapor deposition and ''snow-balling'' of fine beryllium powder were the two methods investigated. Once the particles were coated, HIP (pressure bonding) and pressureless sintering were to be investigated as methods for consolidating the microballoons. A low level of effort was to be spent to look at means of fabricating an all-carbon structure

Workplace immersion in the final year of an undergraduate medicine course: the views of final year students and recent graduates.

Science.gov (United States)

Sen Gupta, Tarun; Hays, Richard; Woolley, Torres; Kelly, Gill; Jacobs, Harry

2014-06-01

Most medical schools require formal competence assessment of students immediately prior to graduation, but variation exists in the approach to endpoint assessments. This article reports perceptions of senior students and graduates from a school with a six-year program which has introduced final year workplace immersion placements following a barrier examination at the end of the penultimate Year 5. Final year students (22) and recent graduates (4) attended focus groups and in-depth interviews exploring their perceptions of the value of the curriculum experience during the final two years, the structure and timing of assessment, and their preparation for internship. Participants felt that the penultimate year was more pressured, and focused on passing "artificial" examinations. In contrast, the final year was more relaxed, building skills for postgraduate work and later career development. As a result, students felt well prepared for internship with some indication that the self-directed nature of the final year promoted a lifelong learning approach. The final year workplace immersion model was regarded positively by senior students of this medical school. This model may be a better way of preparing students to be junior doctors than a traditional final year heavy on theoretical learning and assessment.

Structure of final states with a high transverse momentum$\\pi^{0}$ in proton-proton collisions

CERN Document Server

Darriulat, Pierre; Eggert, Karsten; Holder, M; McDonald, K T; Modis, T; Navarria, Francesco Luigi; Seiden, A; Strauss, J; Vesztergombi, G; Williams, E G H; Darriulat, P; Dittmann, P; Eggert, K; Holder, M; Mcdonald, K T; Modis, T; Navarria, F L; Seiden, A; Strauss, J; Vesztergombi, G; Williams, E G H

1976-01-01

A study of the final state structure in proton-proton collisions is presented ( square root s=53 GeV) where a large transverse momentum pi /sup 0/(p/sub t/>2 GeV/c) is produced at an angle of 90 degrees . Charged secondaries have been detected and momentum analysed in the split field magnet detector at the CERN Intersecting Storage Rings. The large angular coverage of this detector extends over +or-2.5 units of rapidity and +or-30 degrees of azimuth with respect to the trigger pi /sup 0/, both towards and away from it. In each of these directions, charged particle distributions are presented in rapidity and momentum. In the hemisphere containing the trigger pi /sup 0/ the cross section for inclusive production of large transverse momentum rho /sup +or-/ mesons has been measured. In the opposite hemisphere the data exhibit several features predicted by hard scattering quark- parton models: coplanarity and short-range rapidity correlation for the large transverse momentum secondaries as well as a transverse mom...

Radiation damage in nuclear waste materials

International Nuclear Information System (INIS)

Jencic, I.

2000-01-01

Final disposal of high-level radioactive nuclear waste is usually envisioned in some sort of ceramic material. The physical and chemical properties of host materials for nuclear waste can be altered by internal radiation and consequently their structural integrity can be jeopardized. Assessment of long-term performance of these ceramic materials is therefore vital for a safe and successful disposal. This paper presents an overview of studies on several possible candidate materials for immobilization of fission products and actinides, such as spinel (MgAl 2 O 4 ), perovskite (CaTiO 3 ), zircon (ZrSiO 4 ), and pyrochlore (Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 ). The basic microscopic picture of radiation damage in ceramics consists of atomic displacements and ionization. In many cases these processes result in amorphization (metaminctization) of irradiated material. The evolution of microscopic structure during irradiation leads to various macroscopic radiation effects. The connection between microscopic and macroscopic picture is in most cases at least qualitatively known and studies of radiation induced microscopic changes are therefore an essential step in the design of a reliable nuclear waste host material. The relevance of these technologically important results on our general understanding of radiation damage processes and on current research efforts in Slovenia is also addressed. (author)

Pretreatment of flaxseed protein isolate by high hydrostatic pressure: Impacts on protein structure, enzymatic hydrolysis and final hydrolysate antioxidant capacities.

Science.gov (United States)

Perreault, Véronique; Hénaux, Loïc; Bazinet, Laurent; Doyen, Alain

2017-04-15

The effect of high hydrostatic pressure (HHP) on flaxseed protein structure and peptide profiles, obtained after protein hydrolysis, was investigated. Isolated flaxseed protein (1%, m/v) was subjected to HHP (600MPa, 5min or 20min at 20°C) prior to hydrolysis with trypsin only and trypsin-pronase. The results demonstrated that HHP treatment induced dissociation of flaxseed proteins and generated higher molecular weight aggregates as a function of processing duration. Fluorescence spectroscopy showed that HHP treatment, as well as processing duration, had an impact on flaxseed protein structure since exposition of hydrophobic amino acid tyrosine was modified. Except for some specific peptides, the concentrations of which were modified, similar peptide profiles were obtained after hydrolysis of pressure-treated proteins using trypsin. Finally, hydrolysates obtained using trypsin-pronase had a greater antioxidant capacity (ORAC) than control samples; these results confirmed that HHP enhanced the generation of antioxidant peptides. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis, Characterization and Thermal Diffusivity of Holmium and Praseodymium Zirconates

OpenAIRE

Stopyra M.; Niemiec D.; Moskal G.

2016-01-01

A2B2O7 oxides with pyrochlore or defected fluorite structure are among the most promising candidates for insulation layer material in thermal barrier coatings. The present paper presents the procedure of synthesis of holmium zirconate Ho2Zr2O7 and praseodymium zirconate Pr2Zr2O7 via Polymerized-Complex Method (PCM). Thermal analysis of precursor revealed that after calcination at relatively low temperature (700°C) fine-crystalline, single-phase material is obtained. Thermal diffusivity was me...

French Modular Impoundment: Final Cost and Performance Evaluation

Energy Technology Data Exchange (ETDEWEB)

Drown, Peter [French Development Enterprises, LLC, North Billerica, MA (United States); French, Bill [French Development Enterprises, LLC, North Billerica, MA (United States)

2017-05-17

This report comprises the Final Cost and Performance Report for the Department of Energy Award # EE0007244, the French Modular Impoundment (aka the “French Dam”.) The French Dam is a system of applying precast modular construction to water control structures. The “French Dam” is a term used to cover the construction means/methods used to construct or rehabilitate dams, diversion structures, powerhouses, and other hydraulic structures which impound water and are covered under FDE’s existing IP (Patents # US8414223B2; US9103084B2.)

Vibration-based structural health monitoring of harbor caisson structure

Science.gov (United States)

Lee, So-Young; Lee, So-Ra; Kim, Jeong-Tae

2011-04-01

This study presents vibration-based structural health monitoring method in foundation-structure interface of harbor caisson structure. In order to achieve the objective, the following approaches are implemented. Firstly, vibration-based response analysis method is selected and structural health monitoring (SHM) technique is designed for harbor caisson structure. Secondly, the performance of designed SHM technique for harbor structure is examined by FE analysis. Finally, the applicability of designed SHM technique for harbor structure is evaluated by dynamic tests on a lab-scaled caisson structure.

Final Technical Report: Electronic Structure Workshop (ES13)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shiwei [College of William and Mary, Williamsburg, VA (United States)

2015-02-26

The 25th Annual Workshop on Recent Developments in Electronic Structure Methods (ES2013) was successfully held at the College of William & Mary in Williamsburg VA on June 11-14, 2013. The workshop website is at http://es13.wm.edu/ , which contains updated information on the workshop and a permanent archive of the scientific contents. DOE's continued support has been instrumental to the success of the workshop.

Class I structures license renewal industry report; revision 1. Final report

International Nuclear Information System (INIS)

Deng, D.; Renfro, J.; Statton, J.

1994-07-01

The U.S. nuclear power industry, through coordination by the Nuclear Management and Resources Council (NUMARC), and sponsorship by the U.S. Department of Energy (DOE) and the Electric Power Research Institute (EPRI), has evaluated age-related degradation effects for a number of major plant systems, structures, and components, in the license renewal technical Industry Reports (IRs). License renewal applicants may choose to reference these IRs in support of their plant-specific license renewal applications, as an equivalent to the integrated plant assessment provisions of the license renewal rule (10 CFR Part 54). This IR provides the technical basis for license renewal for U.S. nuclear power plant Class I structures, with the IR evaluating which structures are Class I. Seventeen structures are explicitly described and evaluated in this IR. These structures are not necessarily classified as Class I at all plants, therefore the license renewal applicant should consult this IR for correct identification

Characterisation and dissolution studies on the uranium pyrochlore mineral betafite (Ca,U)_2(Nb,Ti,Ta)_2O_7

International Nuclear Information System (INIS)

McMaster, S.; Ram, R.; Tardio, J.; Bhargava, S.

2014-01-01

The pyrochlore group mineral, betafite (nominally (Ca,U)_2(Nb,Ti,Ta)_2O_7); is a refractory uranium mineral found in many ore deposits, including the currently mined deposit at Rössing, Namibia and the currently unmined deposit at Saima Massif, China. The decreasing abundance of “easy to leach” uranium minerals (i.e. uraninite), has led to interest in the extraction of uranium from refractory uranium minerals such as betafite. In the current study, three naturally occurring betafite mineral samples (obtained from Ambatofotsky and Miarinarivo, Madagascar (BAM and BMM respectively) and Silver Crater Mine, Canada (BSC)) were characterised using ex-situ high temperature X-Ray Diffraction (XRD), multi acid digestion / ICP-MS analysis (composition) and X-Ray Photoelectron Spectroscopy (XPS). Dissolution of the three samples was also investigated under conditions similar to those used in commercial tank based uranium leaching processes. XRD analysis showed that all three samples were highly metamict. Samples BMM and BSC showed no assignable diffraction lines before heat treating, whereas the XRD pattern obtained for sample BAM contained diffraction lines that confirmed the presence of crystalline anatase (TiO_2). Heat treatment studies on the samples showed that the betafite in the samples was converted into a crystalline form at 700°C in all 3 samples. Gangue minerals, rutile, Nb-rutile, UTiNb_2O_1_0, and studitite were also found to be present in the heat treated samples. Multi acid digestion ICP-MS analysis showed the natural samples contained between 16 and 26% w/w uranium as well as all the major elements present typically in betafite. XPS analysis was conducted on the unheated betafite samples. XPS analysis showed that the uranium in the samples was predominately in U"5"+ oxidation state. Some U"6"+ was also identified though this was most likely restricted to the outer surface of the samples. Dissolution studies (batch mode) were conducted under the following

Fluid-structure interaction in BWR suppression pool systems. Final report

International Nuclear Information System (INIS)

Nickell, R.E.

1979-09-01

The discharge of safety relief valves or a severe loss-of-coolant event in a boiling-water-cooled reactor steam supply system triggers a complex pressure suppression system that is based upon sub-surface steam condensation in large pools of water. The physical problems fall into two categories. The first is referred to as vent clearing and describes the process of expelling non-condensables from the system prior to steam flow. The second category covers a variety of phenomena related to the transient overexpansion of a condensable volume and the subsequent inertially-driven volume decrease. The dynamic loading of either event, depending upon fluid-structural design parameters, can be of concern in safety analysis. This report describes the development of a method for calculating the loads and the structural response for both types of problems. The method is embedded in a computer code, called PELE-IC, that couples a two-dimensional, incompressible eulerian fluid algorithm to a finite element shell algorithm. The fluid physics is based upon the SOLA algorithm, which provideds a trial velocity field using the Navier-Stokes equations that is subsequently corrected iteratively so that incompressibility, fluid-structure interface compatibility, and boundary conditions are satisfied. These fluid and fluid-structure algorithms have been extensively verified through calculations of known solutions from the classical literature, and by comparison to air and steam blowdown experiments

Survey and analysis of work structure in nuclear power plants. Final report

International Nuclear Information System (INIS)

Bauman, M.B.; Pain, R.F.; Van Cott, H.P.; Davidson, M.K.

1983-06-01

Work-structure factors are those factors that relate to the way in which work at all levels in a plant is organized, staffed, managed, rewarded, and perceived by plant personnel. Research over many years has demonstrated that these work-structure factors are closely correlated with organizational effectiveness, safety, and profitability. The work structure of ten nuclear power plants was assessed using questionnaires. Structured critical incident interviews were conducted to verify the questionnaire results. The study revealed that a variety of work-structure factor problem areas do exist in nuclear power plants. The study recommends a prioritized set of candidate research issues to be considered as part of EPRI's Work Structure and Performance Research Program

Insulating Structural Ceramics Program, Final Report

Energy Technology Data Exchange (ETDEWEB)

Andrews, Mark J.; Tandon, Raj; Ott, Eric; Hind, Abi Akar; Long, Mike; Jensen, Robert; Wheat, Leonard; Cusac, Dave; Lin, H. T.; Wereszczak, Andrew A.; Ferber, Mattison K.; Lee, Sun Kun; Yoon, Hyung K.; Moreti, James; Park, Paul; Rockwood, Jill; Boyer, Carrie; Ragle, Christie; Balmer-Millar, Marilou; Aardahl, Chris; Habeger, Craig; Rappe, Ken; Tran, Diana; Koshkarian, Kent; Readey, Michael

2005-11-22

New materials and corresponding manufacturing processes are likely candidates for diesel engine components as society and customers demand lower emission engines without sacrificing power and fuel efficiency. Strategies for improving thermal efficiency directly compete with methodologies for reducing emissions, and so the technical challenge becomes an optimization of controlling parameters to achieve both goals. Approaches being considered to increase overall thermal efficiency are to insulate certain diesel engine components in the combustion chamber, thereby increasing the brake mean effective pressure ratings (BMEP). Achieving higher BMEP rating by insulating the combustion chamber, in turn, requires advances in material technologies for engine components such as pistons, port liners, valves, and cylinder heads. A series of characterization tests were performed to establish the material properties of ceramic powder. Mechanical chacterizations were also obtained from the selected materials as a function of temperature utilizing ASTM standards: fast fracture strength, fatique resistance, corrosion resistance, thermal shock, and fracture toughness. All ceramic materials examined showed excellent wear properties and resistance to the corrosive diesel engine environments. The study concluded that the ceramics examined did not meet all of the cylinder head insert structural design requirements. Therefore we do not recommend at this time their use for this application. The potential for increased stresses and temperatures in the hot section of the diesel engine combined with the highly corrosive combustion products and residues has driven the need for expanded materials capability for hot section engine components. Corrosion and strength requirements necessitate the examination of more advanced high temperture alloys. Alloy developments and the understanding of processing, structure, and properties of supperalloy materials have been driven, in large part, by the gas

A new triclinic modification of the pyrochlore-type KOs2O6 superconductor

International Nuclear Information System (INIS)

Katrych, S.; Gu, Q.F.; Bukowski, Z.; Zhigadlo, N.D.; Krauss, G.; Karpinski, J.

2009-01-01

A new modification of KOs 2 O 6 , the representative of a new structural type (Pearson symbol aP18, a=5.5668(1) A, b=6.4519(2) A, c=7.2356(2) A, α=65.377(3) o , β=70.572(3) o , γ=75.613(2) o space group P-1, no. 2 was synthesized employing high pressure technique. Its structure was determined by single-crystal X-ray diffraction. The structure can be described as two OsO 6 octahedral chains relating to each other through inversion and forming big voids with K atoms inside. Quantum chemical calculations were performed on the novel compound and structurally related cubic compound. High-pressure X-ray study showed that cubic KOs 2 O 6 phase was stable up to 32.5(2) GPa at room temperature. - Graphical abstract: A new modification of KOs 2 O 6 , the representative of a new structural type (Pearson symbol aP18, a=5.5668(1) A, b=6.4519(2) A, c=7.2356(2) A, α=65.377(3) o , β=70.572(3) o , γ=75.613(2) o space group P-1, no. 2 was synthesized employing high pressure technique. The structure can be described as two OsO 6 octahedral chains relating to each other through inversion and forming big voids with K atoms inside

Temperature effects on chemical structure and motion in coal. Final report

Energy Technology Data Exchange (ETDEWEB)

Maciel, G.E.

1996-09-30

The objective of this project was to apply recently developed, state-of-the-art nuclear magnetic resonance (NMR) techniques to examine in situ changes in the chemical structure and molecular/macromolecular motion in coal as the temperature is increased above room temperature. Although alterations in the chemical structure of coal have been studied previously by {sup 13}C NMR, using quenched samples, the goal of this project was to examine these chemical structural changes, and changes in molecular/macromolecular mobility that may precede or accompany the chemical changes, at elevated temperatures, using modern {sup 13}C and {sup 1}H NMR techniques, especially {sup 1}H dipolar-dephasing techniques and related experiments pioneered in the laboratory for examining pyridine-saturated coals. This project consisted of the following four primary segments and related efforts on matters relevant to the first four tasks. (1) {sup 1}H NMR characterization of coal structure and mobility as a function of temperature variation over a temperature range (30--240 C) for which substantial chemical transformations were not anticipated. (2) {sup 1}H NMR characterization of coal structure, mobility and conversion as a function of temperature variation over a temperature range (240--500 C) for which chemical transformations of coal are known to occur. (3) {sup 13}C NMR investigation of coal structure/mobility as a function of temperature over a temperature range (30--240 C) for which substantial chemical transformations were not anticipated. (4) {sup 13}C NMR investigation of coal structure, dynamics and conversion as a function of temperature variation over a range (240--500 C) for which chemical transformations of coal are known to occur. (5) Related matters relevant to the first four tasks: (a) {sup 1}H CRAMPS NMR characterization of oil shales and their kerogen concentrates; and (b) improved quantitation in {sup 13}C MAS characterization of coals.

Frustrated pyrochlore oxides, Y₂Mn₂O₇, Ho₂Mn₂O₇, and Yb₂Mn₂O₇: Bulk magnetism and magnetic microstructure

DEFF Research Database (Denmark)

Greedan, J.E.; Raju, N.P.; Maignan, A.

1996-01-01

The bulk magnetic properties, including de and ac susceptibilities and heat capacity, of the pyrochlore oxides Ho2Mn2O7 and Yb2Mn2O7 are reported and compared with those of the previously studied Y2Mn2O7. In the latter case the magnetic Mn4+ ions occupy the 16c sites in Fd3m which define...... for all three materials are reported for the Q range 10(-2) Angstrom(-1) to 2x10(-1) Angstrom(-1) and the temperature range 6-100 K. Data for the full Q range can be fitted for all three materials to a model consisting of a Lorentzian and a Lorentzian-squared term, i.e., I(Q)=A/(Q(2)+1/xi(1)(2))+B/(Q(2......)+1/xi(2)(2))(2), a cross section commonly found in spin-glass-like materials. A surprising result is that the correlation lengths xi(1) and xi(2) are unequal and in general xi(2)>xi(1). xi(1) remains finite reaching maximum values which range from 10 to 20 Angstrom depending on the compound, while xi(2...

Mesoporous tertiary oxides via a novel amphiphilic approach

Energy Technology Data Exchange (ETDEWEB)

Bennett, Natasha; Hall, Simon R., E-mail: simon.hall@bristol.ac.uk, E-mail: Annela.Seddon@bristol.ac.uk [Bristol Centre for Functional Nanomaterials, Centre for Nanoscience and Quantum Information, Tyndall Avenue, Bristol BS8 1FD, United Kingdom and Complex Functional Materials Group, School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Seddon, Annela M., E-mail: simon.hall@bristol.ac.uk, E-mail: Annela.Seddon@bristol.ac.uk; Hallett, James E. [H.H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Kockelmann, Winfried [STFC Rutherford Appleton Laboratory, Chilton OX11 0QX (United Kingdom); Ting, Valeska P. [Department of Chemical Engineering, University of Bath, Bath BA2 7AY (United Kingdom); Sadasivan, Sajanikumari; Tooze, Robert P. [Sasol Technology (UK) Ltd, Purdie Building, North Haugh, St Andrews, Fife KY16 9ST (United Kingdom)

2016-01-01

We report a facile biomimetic sol-gel synthesis using the sponge phase formed by the lipid monoolein as a structure-directing template, resulting in high phase purity, mesoporous dysprosium- and gadolinium titanates. The stability of monoolein in a 1,4-butanediol and water mixture complements the use of a simple sol-gel metal oxide synthesis route. By judicious control of the lipid/solvent concentration, the sponge phase of monoolein can be directly realised in the pyrochlore material, leading to a porous metal oxide network with an average pore diameter of 10 nm.

A new triclinic modification of the pyrochlore-type KOs 2O 6 superconductor

Science.gov (United States)

Katrych, S.; Gu, Q. F.; Bukowski, Z.; Zhigadlo, N. D.; Krauss, G.; Karpinski, J.

2009-03-01

A new modification of KOs 2O 6, the representative of a new structural type (Pearson symbol a P18, a=5.5668(1) Å, b=6.4519(2) Å, c=7.2356(2) Å, α=65.377(3)°, β=70.572(3)°, γ=75.613(2)° space group P-1, no. 2 was synthesized employing high pressure technique. Its structure was determined by single-crystal X-ray diffraction. The structure can be described as two OsO 6 octahedral chains relating to each other through inversion and forming big voids with K atoms inside. Quantum chemical calculations were performed on the novel compound and structurally related cubic compound. High-pressure X-ray study showed that cubic KOs 2O 6 phase was stable up to 32.5(2) GPa at room temperature.

Neurons to algorithms LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Rothganger, Fredrick H.; Aimone, James Bradley; Warrender, Christina E.; Trumbo, Derek

2013-09-01

Over the last three years the Neurons to Algorithms (N2A) LDRD project teams has built infrastructure to discover computational structures in the brain. This consists of a modeling language, a tool that enables model development and simulation in that language, and initial connections with the Neuroinformatics community, a group working toward similar goals. The approach of N2A is to express large complex systems like the brain as populations of a discrete part types that have specific structural relationships with each other, along with internal and structural dynamics. Such an evolving mathematical system may be able to capture the essence of neural processing, and ultimately of thought itself. This final report is a cover for the actual products of the project: the N2A Language Specification, the N2A Application, and a journal paper summarizing our methods.

Monazite-type ceramics for conditioning of minor actinides. Structural characterization and properties

Energy Technology Data Exchange (ETDEWEB)

Babelot, Carole

2013-07-01

. Structural and morphological characteristics (using X-ray diffraction (XRD) and scanning electron microscope (SEM)) combined with physical and thermal properties of samples (using thermogravimetry, differential scanning calorimetry (TG-DSC) and dilatometry) are realized in order to study the behavior of monazite-type powder and pellets. The access to short-range-order spectroscopy (time resolved laser fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS)) permits to understand the structure of ceramic waste forms at the molecular level. La-monazite matrices being doped with Eu (III) (as a non-radioactive chemical homologue for Am (III)) and Cm (III), TRLFS is used to explore the local structural environment of Eu and Cm within the monazite crystal structure. Eu (III) and Cm (III) are substituted on the La site of LaPO{sub 4}. The single site of Cm (III) is found in four slightly different environments which is assumed to be due to a difference in the four La sites within a LaPO4 unit cell. Structural parameters of the Eu (III) species were also analyzed by EXAFS. The nearest neighbors of Eu (III) are modeled as 9.5 oxygen atoms (N{sub O1} = 4 at r(EuO1) = 2.37 Aa, N{sub O2} = 4 at r(Eu-O2) = 2.53 Aa, and N{sub O3} = 1.5 at r(Eu-O3) = 2.83 Aa). An essential parameter that describes the stability of the host phases is their dissolution rate obtained under conditions of relevance for final repositories. In this context, a set-up is developed and tested on crushed pellets. Normalized weight losses of lanthanumphosphates and europium-doped lanthanum-phosphates, measured in acidic media at 90 C, are interpreted and compared against the previous findings from the literature. The normalized dissolution rate for La and Eu within (La, Eu)PO{sub 4} is between 1.10{sup -5} and 1.10{sup -4} g.m{sup -2}.d{sup -1}, whereas the rate of Na, Cs and Sr in phosphate glass at room temperature in deionized water is about 1.10{sup -2} g.m{sup -2}.d{sup -1}. Another

Final radioactive waste disposal: A European comparison of organization and costs

International Nuclear Information System (INIS)

Drasdo, P.

2000-01-01

The investigation is aimed to the comparison of organization structures of operators (plants) and governmental institutions concerned with the final disposal of radioactive waste. The study is covering Germany, France, United Kingdom and Sweden. The capital amount of total final disposal costs are the highest in Germany, the lowest in Sweden. This is also true for the final disposal costs that have to be financed by electricity production from nuclear power plants. The reasons for the differences with respect to economic efficiencies, political decisions and technical concepts are discussed

A ₂ TiO ₅ (A = Dy, Gd, Er, Yb) at High Pressure

Energy Technology Data Exchange (ETDEWEB)

Park, Sulgiye [Department of Geological Science, Stanford University, Stanford, California 94305, United States; Rittman, Dylan R. [Department of Geological Science, Stanford University, Stanford, California 94305, United States; Tracy, Cameron L. [Department of Geological Science, Stanford University, Stanford, California 94305, United States; Chapman, Karena W. [X-ray Science Division, Advanced Photon; Zhang, Fuxiang [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States; Park, Changyong [HPCAT, Carnegie Institution of Washington, Argonne, Illinois 60439, United States; Tkachev, Sergey N. [Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, United States; O’Quinn, Eric [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States; Shamblin, Jacob [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States; Lang, Maik [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States; Mao, Wendy L. [Department of Geological Science, Stanford University, Stanford, California 94305, United States; Stanford; amp, Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States; Ewing, Rodney C. [Department of Geological Science, Stanford University, Stanford, California 94305, United States

2018-02-07

The structural evolution of lanthanide A2TiO5 (A = Dy, Gd, Yb, and Er) at high pressure is investigated using synchrotron X-ray diffraction. The effects of A-site cation size and of the initial structure are systematically examined by varying the composition of the isostructural lanthanide titanates, and the structure of dysprosium titanate polymorphs (orthorhombic, hexagonal and cubic), respectively. All samples undergo irreversible high pressure phase transformations, but with different onset pressures depending on the initial structure. While individual phase exhibits different phase transformation histories, all samples commonly experience a sluggish transformation to a defect cotunnite-like (Pnma) phase for a certain pressure range. Orthorhombic Dy2TiO5 and Gd2TiO5 form P21am at pressures below 9 GPa and Pnma above 13 GPa. Pyrochlore-type Dy2TiO5 and Er2TiO5 as well as defect-fluorite-type Yb2TiO5 form Pnma at ~ 21 GPa, followed by Im-3m. Hexagonal Dy2TiO5 forms Pnma directly, although a small amount of remnants of hexagonal Dy2TiO5 is observed even at the highest pressure (~ 55 GPa) reached, indicating a kinetic limitations in the hexagonal Dy2TiO5 phase transformations at high pressure. Decompression of these materials leads to different metastable phases. Most interestingly, a high pressure cubic X-type phase (Im-3m) is confirmed using highresolution transmission electron microscopy on recovered pyrochlore-type Er2TiO5. The kinetic constraints on this metastable phase yield a mixture of both the X-type phase and amorphous domains upon pressure release. This is the first observation of an X-type phase for an A2BO5 composition at high pressure.

The influence of crystal structure on ion-irradiation tolerance in the Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} series

Energy Technology Data Exchange (ETDEWEB)

Aughterson, R.D., E-mail: roa@ansto.gov.au [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Lumpkin, G.R.; Reyes, M. de los [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Gault, B. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Baldo, P.; Ryan, E. [Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Whittle, K.R. [Centre for Materials and Structures, School of Engineering, The University of Liverpool, Liverpool L69 3GH UK (United Kingdom); Smith, K.L. [Government International and External Relations, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Cairney, J.M. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

2016-04-01

This ion-irradiation study covers the four major crystal structure types in the Ln{sub 2}TiO{sub 5} series (Ln = lanthanide), namely orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. This is the first systematic examination of the complete Ln{sub 2}TiO{sub 5} crystal system and the first reported examination of the hexagonal structure. A series of samples, based on the stoichiometry Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} (where x = 2, 1.4, 1, 0.6, and 0) have been irradiated using 1 MeV Kr{sup 2+} ions and characterised in-situ using a transmission electron microscope. Two quantities are used to define ion-irradiation tolerance: critical dose of amorphisation (D{sub c}), which is the irradiating ion dose required for a crystalline to amorphous transition, and the critical temperature (T{sub c}), above which the sample cannot be rendered amorphous by ion irradiation. The structure type plus elements of bonding are correlated to ion-irradiation tolerance. The cubic phases, Yb{sub 2}TiO{sub 5} and Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}, were found to be the most radiation tolerant, with T{sub c} values of 479 and 697 K respectively. The improved radiation tolerance with a change in symmetry to cubic is consistent with previous studies of similar compounds.

Study of dissolution factors of U, Th and Ta

International Nuclear Information System (INIS)

Santos, Maristela; Medeiros, Geiza; Zouain, Felipe; Cunha, Kenya Dias da; Pitassi, Gabriel; Lima, Cintia; Leite, Carlos Vieira Barros; Nascimento, Jose Eduardo; Dalia, Kely Cristina

2009-01-01

Air pollution can be a problem in industrial processes, but monitoring and controlling the aerosols in the work place is not enough to estimate the occupational risk due to dust particle inhalation. The solubility in lung fluid is considered to estimate this risk. The aim of this study is to determine in vitro specific dissolution parameters for thorium (Th), uranium (U) and tantalum (Ta) associated to crystal lattice of a niobium mineral (pyrochlore). Th, U and Ta dissolution factors in vitro were obtained using the Gamble solution (Simulant Lung Fluid, SLF), PIXE (Particle Induced X ray Emission) and alpha spectrometry as analytical techniques. Ta, Th and U are present in the pyrochlore crystal lattice as oxide; however they have shown different dissolution parameters. The rapid dissolution fraction (fr), rapid dissolution rate (λr); slow dissolution rate (fs) and slow dissolution fraction ((λs) measured for tantalum oxide were equal to 0.1, 0.45 d -1 and 0.00007 d -1 , respectively; for uranium oxide fr was equal to 0.05, (λr equal to 1.1 d -1 ; (λs equal to 0.000068 d -1 ; for thorium oxide fr was 0.025, (λr was 1.5 d -1 and (λs: 0.000065 d -1 . These results show that chemical behavior of these 3 compounds in the SLF could not be represented by the same parameter. The ratio of uranium concentration in urine and feces samples from workers exposed to pyrochlore dust particle was determined. These values agree with the theoretical values of estimated uranium concentration using specific parameters for uranium oxide present in pyrochlore. (author)

Spectroscopic study of the final protective corrosion product on weathering steel

International Nuclear Information System (INIS)

Yamashita, M.; Misawa, T.

1998-01-01

Recent progress in understanding the structure and properties of final protective rust layer on weathering steel and its application for structural steels is shown based on the data obtained mainly by spectroscopic characterization. The main constituent of the weathering steel rust layer is changed with exposure period from γ- FeOOH (less than a few years) via, amorphous substance (several years), to α-FeOOH goethite phase (decades). The corrosion rate of the weathering steel decreased with this phase transformation. The final protective rust layer possesses the structure of α- (Fe 1 - X p Cr x)O OH, Cr substitute goethite; the crystal size decreases with its Cr-content. It is shown that the Cr content in the Cr-substituted goethite increases gradiently with reaching the rust/steel interface. This increase in the Cr content and resultant aggregation of fine crystals lead a densely packed Cr-substituted goethite rust layers which provides higher protective ability for atmospheric corrosives. It is found that the Cr-substituted goethite possesses the cation selective ability at the vicinity of the rust/steel interface where the Cr content can be estimated approximately 5-10 mass %. Thus, the final protective rust layer of the Cr-substituted goethite impedes the penetration of aggressive corrosive anions such as Cl - and SO 4 2- , besides the physically prevention effect of its densely aggregated structure for corrosive penetration. It is found that Cr 2 (SO 4 ) 3 is effective for obtaining the final protective rust layer in a short period. SO 4 2 accelerates rust formation and Cr 3- substitutes goethite crystal lattice point at the initial stage of corrosion; resultantly the rust layer formed suppresses dissolution of the steel even in the severe environment. (Author)

Mixed oxides forming in CdO-OsO2 and PbO-OsO2 systems

International Nuclear Information System (INIS)

Shaplygin, I.S.; Lazarev, V.B.

1978-01-01

The formation of mixed oxides in systems CdO-OsO 2 and PbO-OsO 2 was studied by derivatography, X-ray phase analysis, and IR spectroscopy. It was established that in the system CdO-OsO 2 cubic phases of Cdsub(2)Ossub(2)Osub(6.7) and Cdsub(2)Ossub(2)Osub(7.2) with a pyrochlor-type structure, as well as new compounds with the structure of rhombic perovskite CdOsO 3 and Cd(Cdsub(0.5)Ossub(0.5))Osub(3) containing osmium in the formal degree of oxidation +4 and +6, respectively, are formed. The thermal stability of the compounds obtained was studied and their electrical properties determined

Direct crystallization of perovskite phase in PMN-PT thin films prepared by polyvinylpyrrolidone modified sol-gel processing and their properties

International Nuclear Information System (INIS)

Du, Z.H.; Zhang, T.S.; Zhu, M.M.; Ma, J.

2009-01-01

A modified sol-gel processing has been developed by using polyvinylpyrrolidone (PVP) as modifier and lead nitrate as lead source to synthesize (1-x)Pb(Mg 1/3 ,Nb 2/3 )O 3 -xPbTiO 3 (PMN-PT) thin films with x=0.23-0.43. With PVP additions, perovskite phase could directly crystallize from amorphous films at the temperature as low as 430 deg. C via bypassing the metastable phase-pyrochlore and crystallinity was significantly enhanced. The PVP addictives have been optimized with molecular weight 1/3 ,Nb 2/3 )O 3 -PbTiO 3 films via bypassing pyrochlore phase.

Final Energy Consumption Trends and Drivers in Czech Republic and Latvia

Directory of Open Access Journals (Sweden)

Zhiqian Yu

2017-08-01

Full Text Available This paper analyses the trends of final energy consumption in Latvia and Czech Republic. Analysis of final energy consumption during 2000-2013 period indicated the main driving forces of final energy consumption during and after world financial crisis of 2008. The paper aimed to evaluate the impact of economic activity and other factors on final energy consumption. The decomposition of the final energy consumption is assessed by analyzing effect of different drivers by the main end-users sector (industry, transport, households, agriculture, services, activity, demography, lifestyles, structural effects, energy savings etc. The results show that the reduction in final energy consumption in most EU members states before and after year 2008 can be related to the decline in energy intensities within endusers sectors. At the same time, the increase in final energy intensity after the year 2008 is attributed to expansion of energy demand sectors. Comparison of final energy consumption trends and drivers in Latvia and Czech Republic indicated that Czech Republic implemented more policies and measures in industry and tertiary sector and this provided for final energy consumption decreased and huge energy savings in these sectors.

Band structure of metallic pyrochlore ruthenates Bi2Ru2O7 and Pb2Ru2O/sub 6.5/

International Nuclear Information System (INIS)

Hsu, W.Y.; Kasowski, R.V.; Miller, T.; Chiang, T.

1988-01-01

The band structure of Bi 2 Ru 2 O 7 and Pb 2 Ru 2 O/sub 6.5/ has been computed self-consistently from first principles for the first time by the pseudofunction method. We discover that the 6s bands of Bi and Pb are very deep and unlikely to contribute to the metallic behavior as previously believed. The unoccupied 6p bands, however, are only several eV above the Fermi energy and are mixed with the Ru 4d band at the Fermi surface via the framework O atoms, leading to band conduction and delocalized magnetic moments. The predicted location of the 6s bands and the location and width of the O 2p band are confirmed by synchrotron radiation and ultraviolet electron spectroscopy of single crystals

Final storage of radioactive waste in Germany. Are administrative structures in need of modification?

International Nuclear Information System (INIS)

Schneider, Horst

2011-01-01

Delays in commissioning the Konrad Mine as a repository for radioactive waste not generating heat, and in exploring the Gorleben salt dome for suitability as a repository for high-level waste generating heat, invite the question whether the legal regulations in place, especially administration and funding of the repository, are suitable for solving current problems or whether they are in need of improvement. The key principles of the back end of the nuclear fuel cycle, final storage included, were laid down as rules in 1976. Execution of the necessary waste management steps, from radioactive waste arisings to their final disposal, was split between private responsibilities and government competences. Final storage, to this day, has been of prime importance. Pursuant to the Atomic Energy Act, the federal government is required to set up facilities for final storage of radioactive waste. The waste management duties incumbent upon private parties, from radioactive waste arisings to delivery, are mainly subject to safety criteria under the Atomic Energy Act and the Radiation Protection Ordinance. As far as administration is concerned, the private parties are free in the way they comply with regulatory requirements. They are required to bear the cost in accordance with the polluter-pays-principle. In the light of the sluggish execution of government tasks from 1976 to this day, the question of improvements has become more acute than ever. This is where assignment offers an approach towards better administration which can be taken at short notice, as assignment implies a reduction in the number of interfaces and clearer responsibilities. However, even the best administration is unable to lead to the repositories required by law if those responsible in government fail to act in accordance with the spirit and letter of the law. (orig.)

Nuclear research with the electromagnetic probe. Final progress report

Energy Technology Data Exchange (ETDEWEB)

Meziani, Z.E.

1994-10-01

This is the final report on the research carried at Stanford University under contract DE-FG03-88ER40439. All the work accomplished under this grant is reported in the publications listed as part of the Principal Investigator bibliography at the end of this report. In the last few years our research was directed at some of the forefront questions in nuclear physics. We investigated the nuclear medium effects on the intrinsic properties of bound nucleons, specifically the ectromagnetic form factors. For these studies we performed a number of specialized electron scattering experiments with specific sensitivity to nuclear medium effects. At the next level of structure, elementary constituents of matter are quarks and gluons. Defining the energy regime where the quark-gluon description of nuclear systems becomes more relevant than the nucleon-meson description is of great importance in thoroughly understanding the nuclear structure. To explore this transition region, we studied the scaling region in the disintegration of the deuteron, the simplest nuclear system with high energy photons. Finally we focused on the investigation of the nucleon internal spin structure along with the test of the Bjoerken sum rule a fundamental sum rule of QCD.

Nuclear research with the electromagnetic probe. Final progress report

International Nuclear Information System (INIS)

Meziani, Z.E.

1994-10-01

This is the final report on the research carried at Stanford University under contract DE-FG03-88ER40439. All the work accomplished under this grant is reported in the publications listed as part of the Principal Investigator bibliography at the end of this report. In the last few years our research was directed at some of the forefront questions in nuclear physics. We investigated the nuclear medium effects on the intrinsic properties of bound nucleons, specifically the ectromagnetic form factors. For these studies we performed a number of specialized electron scattering experiments with specific sensitivity to nuclear medium effects. At the next level of structure, elementary constituents of matter are quarks and gluons. Defining the energy regime where the quark-gluon description of nuclear systems becomes more relevant than the nucleon-meson description is of great importance in thoroughly understanding the nuclear structure. To explore this transition region, we studied the scaling region in the disintegration of the deuteron, the simplest nuclear system with high energy photons. Finally we focused on the investigation of the nucleon internal spin structure along with the test of the Bjoerken sum rule a fundamental sum rule of QCD

Simquake 3: Seismic interactions between building structures and rock-socketed foundations: Final report

International Nuclear Information System (INIS)

Howard, G.E.; Chitty, D.E.; Oleck, R.F.

1988-04-01

It has long been recognized that soil-structure interaction can significantly influence the earthquake response of massive structures such as nuclear power plant reactor buildings. The linear analysis methods that are widely used to model interaction phenomena can result in often unrecognized safety margins in design for earthquake excitation. Use of improved interaction models which capture nonlinear characteristics of interaction---such as energy dissipation and significant changes in stiffness---can provide realistic predictions of the earthquake loads imposed on nuclear power plant structures and equipment, supplying an improved basis for seismic design review. This report documents the results of a research effort investigating the soil-structure (or structure-media) interaction of reinforced concrete structures founded in backfilled rock sockets. The objectives of the research, which included field testing with semi-scale structural models, were: to examine the influence of the backfilled socket on structural dynamic response; and to develop an experimental data base for the benchmarking of computer simulation procedures

Size effects on structural and dielectric properties of PZT thin films at compositions around the morpho tropic phase boundary

International Nuclear Information System (INIS)

Lima, Elton Carvalho; Araujo, Eudes Borges; Souza Filho, Antonio Gomes de; Bdikin, Igor

2011-01-01

Full text: The demand for portability in consumer electronics has motivated the understanding of size effects on ferroelectric thin films. The actual comprehension of these effects in ferroelectrics is unsatisfactory, since the polarization interacts more strongly than other order parameters such as strain and charge. As a result, extrinsic effects are produced if these variables are uncontrolled and problems such as ferroelectric paraelectric phase transition at nanometers scale remains an unsolved issue. In the present work, the effects of thickness and compositional fractions on the structural and dielectric properties of PbZr 1-x Ti x O 3 (PZT) thin films were studied at a composition around the morphotropic phase boundary (x = 0.50). For this purpose, thin films with different thicknesses and different PbO excess were deposited on Si(100) and Pt=T iO 2 =SiO 2 =Si substrates by a chemical method and crystallized in electric furnace at 700 deg C for 1 hour. The effects of substrate, pyrolysis temperature and excess lead addition in the films are reported. For films with 10 mol% PbO in excess, the pyrolysis in the regime of 300 deg C for 30 minutes was observed to yield PZT pyrochlore free thin films deposited on Pt=T iO 2 =SiO 2 =Si substrate. Out this condition, the transformation from amorphous to the pyrochlore metastable phase is kinetically more favorable that a transformation to the perovskite phase, which is thermodynamically stable. Rietveld refinements based on X-ray diffraction results showed that films present a purely tetragonal phase and that this phase does not change when the film thickness decreases. The dielectric permittivity measurements showed a monoclinic → tetragonal phase transition at 198K. Results showed that the dielectric permittivity (ε) increases continuously from 257 to 463, while the thickness of the PZT films increases from 200 to 710 nm. These results suggests that interface pinning centers can be the responsible mechanism by

Ethical aspects of final disposal. Final report

International Nuclear Information System (INIS)

Baltes, B.; Leder, W.; Achenbach, G.B.; Spaemann, R.; Gerhardt, V.

2003-01-01

In fulfilment of this task the Federal Environmental Ministry has commissioned GRS to summarise the current national and international status of ethical aspects of the final disposal of radioactive wastes as part of the project titled ''Final disposal of radioactive wastes as seen from the viewpoint of ethical objectives''. The questions arising from the opinions, positions and publications presented in the report by GRS were to serve as a basis for an expert discussion or an interdisciplinary discussion forum for all concerned with the ethical aspects of an answerable approach to the final disposal of radioactive wastes. In April 2001 GRS held a one-day seminar at which leading ethicists and philosophers offered statements on the questions referred to above and joined in a discussion with experts on issues of final disposal. This report documents the questions that arose ahead of the workshop, the specialist lectures held there and a summary of the discussion results [de

Cathodic Protection Field Trials on Prestressed Concrete Components, Final Report

Science.gov (United States)

1998-01-01

This is the final report in a study to demonstrate the feasibility of using cathodic protection (CP) on concrete bridge structures containing prestressed steel. The interim report, FHWA-RD-95-032, has more details on the installation of selected CP s...

The Single Pass RF Driver: Final beam compression

Energy Technology Data Exchange (ETDEWEB)

Burke, Robert, E-mail: rjburke@fusionpowercorporation.com

2014-01-01

The Single Pass RF Driver (SPRFD) compacts the beam from the linac without storage rings by manipulations that take advantage of the multiplicity of isotopes (16), the preserved µbunch structure, and increased total linac current. Magnetic switches on a first set of delay lines rearrange the internal structure of the various isotopic beams. A second set of delay lines sets the relative timing of the 16 isotopic beam sections so they will telescope at the pellet, in one of multiple fusion chambers, e.g. 10. Shortening each isotopic beam section uses preservation of the µbunch structure up to the final ∼2 km drift before final focus. Just before the final drift, differential acceleration of the µbunches in each isotopic beam section (128 total) launches an axial collapse, referred to as the “Slick”. The µbunches interpenetrate as their centers of mass move toward each other and individual µbunches lengthen due to their momentum spread. In longitudinal phase space they slide over one another as they lengthen in time and slim down in instantaneous energy spread. The permissible amount of µbunch lengthening is set by the design pulse shape at the pellet, which varies for different groups of isotopes. In narrow bands of ranges according to the role for each isotope group in the pellet, the ranges extend from 1 to 10 g/cm{sup 2} to drive the cylinder barrel and thin hemispherical end caps, to heat the ∼0.5 g/cm{sup 2}ρR fast ignition zone, and to improve the quasi-sphericity of the compression of the fast ignition zones at the pellet's ends. Because the µbunch–µbunch momentum differences are correlated, time-ramped beamline transport elements close after the differential accelerator are used to correct the associated shifts of focal point. Beam neutralization is needed after the differential acceleration until adjacent bunches begin to overlap. Concurrent collapse of each isotope and telescoping of the 16 isotopes cause the current in each beamline

The Single Pass RF Driver: Final beam compression

International Nuclear Information System (INIS)

Burke, Robert

2014-01-01

The Single Pass RF Driver (SPRFD) compacts the beam from the linac without storage rings by manipulations that take advantage of the multiplicity of isotopes (16), the preserved µbunch structure, and increased total linac current. Magnetic switches on a first set of delay lines rearrange the internal structure of the various isotopic beams. A second set of delay lines sets the relative timing of the 16 isotopic beam sections so they will telescope at the pellet, in one of multiple fusion chambers, e.g. 10. Shortening each isotopic beam section uses preservation of the µbunch structure up to the final ∼2 km drift before final focus. Just before the final drift, differential acceleration of the µbunches in each isotopic beam section (128 total) launches an axial collapse, referred to as the “Slick”. The µbunches interpenetrate as their centers of mass move toward each other and individual µbunches lengthen due to their momentum spread. In longitudinal phase space they slide over one another as they lengthen in time and slim down in instantaneous energy spread. The permissible amount of µbunch lengthening is set by the design pulse shape at the pellet, which varies for different groups of isotopes. In narrow bands of ranges according to the role for each isotope group in the pellet, the ranges extend from 1 to 10 g/cm 2 to drive the cylinder barrel and thin hemispherical end caps, to heat the ∼0.5 g/cm 2 ρR fast ignition zone, and to improve the quasi-sphericity of the compression of the fast ignition zones at the pellet's ends. Because the µbunch–µbunch momentum differences are correlated, time-ramped beamline transport elements close after the differential accelerator are used to correct the associated shifts of focal point. Beam neutralization is needed after the differential acceleration until adjacent bunches begin to overlap. Concurrent collapse of each isotope and telescoping of the 16 isotopes cause the current in each beamline to rise

SYNROC C: preparation and radwaste distribution

International Nuclear Information System (INIS)

Ryerson, F.J.; Hoenig, C.L.; Smith, G.S.

1981-01-01

Results of the synthesis of SYNROC C from both high surface area (16m 2 /g) and low surface area (4m 2 /g) powders at low and high oxygen fugacities indicate variations in radionuclide distribution. These results are most striking for the partitioning of uranium between perovskite and zirconolite. In highly active powders, the formation of a pyrochlore precursor ensures that equilibrium partitioning is approached. In less active powders, no low temperature pyrochlore is formed. As a result, the uranium partitioning is a function of nucleation processes. At high oxygen fugacities, uranium is rejected from perovskite and an additional uranium rich phase is formed precluding the synthesis of SYNROC C in air

Structural system identification: Structural dynamics model validation

Energy Technology Data Exchange (ETDEWEB)

Red-Horse, J.R.

1997-04-01

Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

Phase transformations during HLnTiO{sub 4} (Ln=La, Nd) thermolysis and photocatalytic activity of obtained compounds

Energy Technology Data Exchange (ETDEWEB)

Silyukov, Oleg I., E-mail: olegsilyukov@yandex.ru; Abdulaeva, Liliia D.; Burovikhina, Alena A.; Rodionov, Ivan A.; Zvereva, Irina A.

2015-03-15

Layered HLnTiO{sub 4} (Ln=La, Nd) compounds belonging to Ruddlesden–Popper phases were found to form partially hydrated compounds Ln{sub 2}Ti{sub 2}O{sub 7}·xH{sub 2}O during thermal dehydration as well as defect oxides Ln{sub 2}□Ti{sub 2}O{sub 7} as final products. Further heating of metastable defect Ln{sub 2}□Ti{sub 2}O{sub 7} substances leads to the formation of pyrochlore-type oxides Ln{sub 2}Ti{sub 2}O{sub 7} {sub (p)}, with subsequent transformation under higher temperatures to stable layered 110-type perovskites Ln{sub 2}Ti{sub 2}O{sub 7}. The occurring structure transformations lead to an increase of photocatalytic activity in the order of HLnTiO{sub 4}pyrochlor-type oxides Ln{sub 2}Ti{sub 2}O{sub 7} {sub (p)}, with subsequent transformation to layered 110-type perovskites Ln{sub 2}Ti{sub 2}O{sub 7}. Structure transformations lead to an increase of photocatalytic activity in the order of HLnTiO{sub 4}structure changes during thermolysis.

Final Technical Report for DE-FG02-98ER45737

Energy Technology Data Exchange (ETDEWEB)

Ade, Harald W.

2018-04-24

Final Technical Report For DOE Grant No. DE-FG02-98ER45737 Development of a Scanning Transmission X-Ray Microscope Polymer Thin Films and Self Assembled Monolayers: Pattern Formation and Surface Interactions NEXAFS Microscopy and Resonant Scattering of Polymeric Materials Organic Heterojunction Devices: Structure, Composition, and Performance at <20 nm Resolution Fundamental Science of High Open Circuit Voltage Excitonic Solar Cells Control of Interface- and Mesoscopic Structure in High Performance Organic Solar Cells: Towards a Predictive Device Paradigm

Effects of the sintering temperature on the diffused phase transition and the spin-glassy behavior in Pb0.95La0.05(Fe2/3W1/3)0.65Ti0.35O3 ceramics

International Nuclear Information System (INIS)

Hong, Cheng-Shong; Chu, Sheng-Yuan; Hsu, Chi-Cheng

2010-01-01

In this paper, the effect of the sintering temperature on the low-field dielectric behavior of nonstoichiometric Pb 0.95 La 0.05 (Fe 2/3 W 1/3 ) 0.65 Ti 0.35 O 3 relaxor ferroelectrics is investigated. The x-ray patterns and the scanning electron microscope images are used to detect the pyrochlore phase and the perovskite structure. The electric properties of the resistivity, the space charge polarization, the temperature-dependent dielectric constant and dielectric loss are discussed. The diffused phase transition and the ordering state are fitted and discussed by using the empirical law and two ordering models. Furthermore, the glassy behavior is determined by using the Curie-Weiss law and the spin-glass model. According to the experimental data and fitting results, the dielectric picture is changed from the short range order relaxorlike behavior to the long range order normal ferroelectric state as increasing the sintering temperature and the glassy behavior is weakened at the lowest and highest sintering temperature at which the pyrochlore phase PWO 4 is induced. Therefore, it is suggested that the 1:1 ordered domain is enhanced by increasing the sintering temperature and the glassy behavior is related to not only the ordering degree also the polar defect pairs. For more ordering degree and polar defect pairs, the glassy is weakened and the correlation of neighboring polar microregions is enhanced.

Relaxation path of metastable nanoclusters in oxide dispersion strengthened materials

Energy Technology Data Exchange (ETDEWEB)

Ribis, J., E-mail: joel.ribis@cea.fr [DEN-Service de Recherches Métallurgiques Appliquées, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Thual, M.A. [LLB, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191, Gif-sur-Yvette (France); Guilbert, T.; Carlan, Y. de [DEN-Service de Recherches Métallurgiques Appliquées, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Legris, A. [UMET, CNRS/UMR 8207, Bât. C6, Univ. Lille 1, 59655 Villeneuve d’Ascq (France)

2017-02-15

ODS steels are a promising class of structural materials for sodium cooled fast reactor application. The ultra-high density of the strengthening nanoclusters dispersed within the ferritic matrix is responsible of the excellent creep properties of the alloy. Fine characterization of the nanoclusters has been conducted on a Fe-14Cr-0.3Ti-0.3Y{sub 2}O{sub 3} ODS material using High Resolution and Energy Filtered Transmission Electron Microscopy. The nanoclusters exhibit a cubic symmetry possibly identified as f.c.c and display a non-equilibrium YTiCrO chemical composition thought to be stabilized by a vacancy supersaturation. These nanoclusters undergo relaxation towards the Y{sub 2}Ti{sub 2}O{sub 7}-like state as they grow. A Cr shell is observed around the relaxed nano-oxides, this size-dependent shell may form after the release of Cr by the particles. The relaxation energy barrier appears to be higher for the smaller particles probably owing to a volume/surface ratio effect in reason to the full coherency of the nanoclusters. - Highlights: • The nanoclusters display a f.c.c. cubic symmetry and a non-equilibrium YTiCrO chemical composition. • During thermal annealing the coherent nanocluster transform into semi-coherent pyrochlore particles. • A Cr ring is observed around the relaxed pyrochlore type particles.

The final word. OSHA's final ruling offers firm deadlines for infection control.

Science.gov (United States)

West, K

1992-03-01

Departments that have put off program development while waiting for the final ruling to be published have a lot of work to do. Many departments have been cited and fined by OSHA in the past year for failure to begin infection-control programs or provide hepatitis-B vaccines to personnel. Under the new budget, OSHA was granted permission to up its fine structure sevenfold--thus, a small fine is $7,000, and the highest fine for a single violation is $70,000. Fines can have a greater impact on a department's budget than implementation of the program over time. A key point to remember is that a strong infection-control program will reduce exposure follow-up costs and worker-compensation claims. Infection control is a win-win situation.

Engineering Design of KSTAR tokamak main structure

International Nuclear Information System (INIS)

Im, K.H.; Cho, S.; Her, N.I.

2001-01-01

The main components of the KSTAR (Korea Superconducting Tokamak Advanced Research) tokamak including vacuum vessel, plasma facing components, cryostat, thermal shield and magnet supporting structure are in the final stage of engineering design. Hundai Heavy Industries (HHI) has been involved in the engineering design of these components. The current configuration and the final engineering design results for the KSTAR main structure are presented. (author)

Radiological Final Status Survey of the Hammond Depot, Hammond, Indiana

International Nuclear Information System (INIS)

Vitkus, T.J.

2008-01-01

ORISE conducted extensive scoping, characterization, and final status surveys of land areas and structures at the DNSC's Hammond Depot located in Hammond, Indiana in multiple phases during 2005, 2006 and 2007. This report provides a detailed discussion of the radiological survey planning, survey implementation, remediation, and the results for these activities supporting the conclusion that radioactive contamination previously identified at the Hammond Depot (HD) has been reduced to levels such that the site may be released without radiological restrictions. The objective of the radiological final status survey (FSS) was to obtain the data necessary to demonstrate compliance with the U.S. Nuclear Regulatory Commission (NRC)-approved site-specific derived concentration guideline levels (DCGLs) for both structural surfaces and outdoor areas (ORISE 2006a and NRC 2007). The DCGLs were modeled such that any residual licensed material would not exceed the NRC's basic dose limit for license termination of 25 millirem per year (mrem/y)

Yttria-stabilized zirkonia / gadolinium zirconate double-layer plasma-sprayed thermal barrier coating systems (TBCs)

International Nuclear Information System (INIS)

Bakan, Emine

2015-01-01

Thermal barrier coating (TBC) research and development is driven by the desirability of further increasing the maximum inlet temperature in a gas turbine engine. A number of new top coat ceramic materials have been proposed during the last decades due to limited temperature capability (1200 C) of the state-of-the-art yttria-stabilized zirconia (7 wt. % Y 2 O 3 -ZrO 2 , YSZ) at long term operation. Zirconate pyrochlores of the large lanthanides((Gd → La) 2 Zr 2 O 7 ) have been particularly attractive due to their higher temperature phase stability than that of the YSZ. Nonetheless, the issues related with the implementation of pyrochlores such as low fracture toughness and formation of deleterious interphases with thermally grown oxide (TGO, Al 2 O 3 ) were reported. The implication was the requirement of an interlayer between the pyrochlores and TGO, which introduced double-layer systems to the TBC literature. Furthermore, processability issues of pyrochlores associated with the different evaporation rates of lanthanide oxides and zirconia resulting in unfavorable composition variations in the coatings were addressed in different studies. After all, although the material properties are available, there is a paucity of data in the literature concerning the properties of the coatings made of pyrochlores. From the processability point of view the most reported pyrochlore is La 2 Zr 2 O 7 . Hence, the goal of this research was to investigate plasma-sprayed Gd 2 Zr 2 O 7 (GZO) coatings and YSZ/GZO double-layer TBC systems. Three main topics were examined based on processing, performance and properties: (i) the plasma spray processing of the GZO and its impact on the microstructural and compositional properties of the GZO coatings; (ii) the cycling lifetime of the YSZ/GZO double-layer systems under thermal gradient at a surface temperature of 1400 C; (iii) the properties of the GZO and YSZ coatings such as thermal conductivity, coefficient of thermal expansion as well

The Structural Integrity Centre

International Nuclear Information System (INIS)

Tomkins, B.

1987-01-01

The paper concerns the development and work of the Structural Integrity Centre (SIC) at Risley Nuclear Laboratories, United Kingdom. The centre was set up to provide authoritative advice to plant designers and operators on the integrity and life assessment of structures and components across the reactor projects in the United Kingdom. A description is given of the structure and role of the SIC, as well as the Structural Integrity Assessment work. The assessment methods are described for thermally loaded structures and welded structures. Finally, defect significance assessment and environmental effects are outlined. (U.K.)

Structural Health and Prognostics Management for Offshore Wind Plants; Final Report of Sandia R&D Activities.

Energy Technology Data Exchange (ETDEWEB)

Griffith, Daniel Todd [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Wind Energy Technologies Dept.

2015-04-01

This final report is a compilation of resear ch efforts - funded by the US Department of Energy Wind and Water Power Technolog ies Office over a four-year period from FY11 through FY14. The goals of this re search program were to develop and evaluate technical innovati ons with promise for maxi mizing revenues and reducing levelized cost of energy (LCOE) for offs hore wind plants - more specifically the goals of the Structural H ealth and Prognostics Management (SHPM) program were to reduce O&M costs and increase energy capture through use of SHPM-based technologies. A technology roadmap was deve loped at the start of the project to guide the research efforts. This roadmap identified and outlined six major research thrust areas each having five stages of ma turity. Research was conducted in each of these thrust areas, as documented throughout this report, although a major focus was on development of damage detection strategi es for the most frequent blade damage conditions and damage mitigation and life-exte nsion strategies via changes in turbine operations (smart loads management). Th e work summarized in this compilation report is the product of the work of many researchers. A summary of the major findings, status of the SHPM Technology Ro admap and recommendations for future work are also provided.

RATU Nuclear power plant structural safety research programme 1990-1994. Final report

International Nuclear Information System (INIS)

Rintamaa, R.; Sarkimo, M.

1995-12-01

The major part of nuclear energy research in Finland has been organized as five-year nationally coordinated research programmes. The research programme on the Nuclear Power Plant Structural Safety was carried out during the period from 1990 to 1994. The total volume was about 76 person-years and the expenditure about 49 million FIM. Studies on the structural materials in nuclear power plants created the experimental data and background information necessary for the structural integrity assessments of mechanical components. The research was carried out by developing experimental fracture mechanics methods including statistical analysis methods of material property data, and by studying material ageing and, in particular, mechanisms of material deterioration due to neutron irradiation, corrosion and water chemistry. Besides material studies, new testing methods and sensors for the measurement of loading and water chemistry parameters have been developed

Narrative Finality

Directory of Open Access Journals (Sweden)

Armine Kotin Mortimer

1981-01-01

Full Text Available The cloturai device of narration as salvation represents the lack of finality in three novels. In De Beauvoir's Tous les hommes sont mortels an immortal character turns his story to account, but the novel makes a mockery of the historical sense by which men define themselves. In the closing pages of Butor's La Modification , the hero plans to write a book to save himself. Through the thrice-considered portrayal of the Paris-Rome relationship, the ending shows the reader how to bring about closure, but this collective critique written by readers will always be a future book. Simon's La Bataille de Pharsale , the most radical attempt to destroy finality, is an infinite text. No new text can be written. This extreme of perversion guarantees bliss (jouissance . If the ending of De Beauvoir's novel transfers the burden of non-final world onto a new victim, Butor's non-finality lies in the deferral to a future writing, while Simon's writer is stuck in a writing loop, in which writing has become its own end and hence can have no end. The deconstructive and tragic form of contemporary novels proclaims the loss of belief in a finality inherent in the written text, to the profit of writing itself.

Final Report

Energy Technology Data Exchange (ETDEWEB)

Gurney, Kevin R. [Arizona Univ., Mesa, AZ (United States)

2015-01-12

This document constitutes the final report under DOE grant DE-FG-08ER64649. The organization of this document is as follows: first, I will review the original scope of the proposed research. Second, I will present the current draft of a paper nearing submission to Nature Climate Change on the initial results of this funded effort. Finally, I will present the last phase of the research under this grant which has supported a Ph.D. student. To that end, I will present the graduate student’s proposed research, a portion of which is completed and reflected in the paper nearing submission. This final work phase will be completed in the next 12 months. This final workphase will likely result in 1-2 additional publications and we consider the results (as exemplified by the current paper) high quality. The continuing results will acknowledge the funding provided by DOE grant DE-FG-08ER64649.

2004 Power marketing program final EIS - final environmental impact statement. Volume 2 - appendices

International Nuclear Information System (INIS)

1997-02-01

This volume contains appendices to the Final Environmental Impact Statement (FEIS) for the Power Marketing Program proposal of the Western Area Power Administration. The FEIS identified peaking power scheduling as the environmentally preferred alternative, and presented the analysis of alternatives and environmental impacts. Sixteen appendices to the FEIS are included in this document. The appendices are: Statutory and Legal Framework; Sierra Nevada Region Customer Groups and Economic Regions; Renewable Technology Cost Information Matrix; Hydrological Assumptions; Recreation Resources; Archaeological and Historical Resources; Incremental Power Resources; Air Quality Regulatory Structure; Energy Generation; Stage Contents Relationships for Regulating Reservoirs; Power Costs; Socioeconomic Impacts; Projected Air Resource Impacts; Land use, Water Quality, and Solid Waste Impact Factors; Draft Environmental Impact Statement Comments and Responses, and Contractor Disclosure Statements. 21 figs., 24 tabs

Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Schuur, Edward [Northern Arizona Univ., Flagstaff, AZ (United States); Luo, Yiqi [Univ. of Oklahoma, Norman, OK (United States)

2016-12-01

This final grant report is a continuation of the final grant report submitted for DE-SC0006982 as the Principle Investigator (Schuur) relocated from the University of Florida to Northern Arizona University. This report summarizes the original project goals, as well as includes new project activities that were completed in the final period of the project.

High temperature phase transition of Tm2Ti2O7

International Nuclear Information System (INIS)

Shlyakhtina, A.V.; Shcherbakova, L.G.; Knot'ko, A.V.; Larina, L.L.; Borichev, S.A.

2004-01-01

A high temperature phase transition type order-disorder is investigated in Tm 2 Ti 2 O 7 at t>1600 Deg C. It is shown that this transformation is irreversible. Ion conductivity of synthesized at 1670 Deg C nanocrystalline Tm 2 Ti 2 O 7 constitutes 2x10 -3 S/cm at 740 Deg C and remains constant after heat treatment at 860 Deg C for 240 h in the air. It is revealed that the conductivity of specimens (grain size of 20-30 nm) on the basis of Tm 2 Ti 2 O 7 high temperature modification with a structure of disordered pyrochlore is independent of grain size [ru

Thermal cycling behaviour of lanthanum zirconate as EB-PVD thermal barrier coating

International Nuclear Information System (INIS)

Bobzin, K.; Lugscheider, E.; Bagcivan, N.

2006-01-01

Thermal cycling tests with two different EB-PVD thermal barrier coatings (TBC) were performed in a furnace cycle test. The results of these tests showed an increase of endurable cycle number when pyrochloric La 2 Zr 2 O 7 was used as TBC. 1865 cycles were reached with La 2 Zr 2 O 7 and 1380 cycles with 7 weigth-% yttria stabilised zirconia (YSZ) EB-PVD TBC. Additional investigation was made with scanning electron microscope (SEM) to investigate morphology and to determine chemical composition by electron dispersive x-ray spectroscopy (EDS) analysis. X-Ray diffraction was performed to analyze structural constitution of deposited coatings. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Prediction of compounds with electric and magnetic ordering

Energy Technology Data Exchange (ETDEWEB)

Nikiforov, L G [Rybinskij Aviatsionnyj Tekhnologicheskij Inst. (USSR)

1979-03-01

The possibility of polymorphic transformations from the structure of the pyrochlore type into that of the perovskite type for nine lead-containing compounds has been forecast. Some of them (PbTaO/sub 3/, Pb/sub 2/NiTaO/sub 6/, Pb/sub 2/MnTaO/sub 6/, Pb/sub 2/SmTaO/sub 6/) are expected to have, in addition to common for all lead-containing perovskites ferro-or antiferro-electric properties, specific magnetic properties. The periods of elementary cells of new perovskites are forecast. The possibility of considerable reduction of the number of errors when searching thermodynamical parameters of transformation has been shown.

Dynamical instability, strong anharmonicity and electron-phonon coupling in KOs2O6: First-principles calculations

Science.gov (United States)

Wang, Wei; Sun, Jiafa; Li, Bin; He, Junqi

2017-09-01

First-principles pseudopotential calculations on phonon and electronic properties of β -pyrochlore superconductor KOs2O6 are performed. The imaginary soft-phonon modes with a special double-well potential for the lowest Eu(1) mode and the second lowest T1u(1) mode are reported, which indicates the dynamical instability in KOs2O6. However, the double wells are too small to induce a structural phase transformation in KOs2O6. The strong anharmonicity especially for K T2g(1) phonon mode is got, which is approved to be from the strong electron-phonon coupling that supports the superconductivity in KOs2O6.

Mastoidectomy performance assessment of virtual simulation training using final-product analysis

DEFF Research Database (Denmark)

Andersen, Steven A W; Cayé-Thomasen, Per; Sørensen, Mads S

2015-01-01

a modified Welling scale. The simulator gathered basic metrics on time, steps, and volumes in relation to the on-screen tutorial and collisions with vital structures. RESULTS: Substantial inter-rater reliability (kappa = 0.77) for virtual simulation and moderate inter-rater reliability (kappa = 0.......59) for dissection final-product assessment was found. The simulation and dissection performance scores had significant correlation (P = .014). None of the basic simulator metrics correlated significantly with the final-product score except for number of steps completed in the simulator. CONCLUSIONS: A modified...... version of a validated final-product performance assessment tool can be used to assess mastoidectomy on virtual temporal bones. Performance assessment of virtual mastoidectomy could potentially save the use of cadaveric temporal bones for more advanced training when a basic level of competency...

Growth and alteration of uranium-rich microlite

International Nuclear Information System (INIS)

Giere, R.; Swope, R. J.; Buck, E. C.; Guggenheim, R.; Mathys, D.; Reusser, E.

2000-01-01

Uranium-rich microlite, a pyrochlore-group mineral, occurs in 440 Ma old lithium pegmatites of the Mozambique Belt in East Africa. Microlite exhibits a pronounced growth zoning, with a U-free core surrounded by a U-rich rim (UO 2 up to 17 wt.%). The core exhibits conjugate sets of straight cracks (cleavage planes) which provided pathways for a late-stage U-enriched pegmatitic fluid which interacted with the U-free microlite to produce a distinct U enrichment along the cracks and led to the formation of the U-rich rim. Following the stage of U incorporation into microlite, a second generation of hydrothermal fluids deposited mica along the cleavage planes. Subsequent to these two hydrothermal stages, the host rock was uplifted and subjected to intense low-temperature alteration during which Na, Ca and F were leached from the microlite crystals. This alteration also led to a hydration of microlite, but there is no evidence of U loss. These low-temperature alteration effects were only observed in the U-rich rim which is characterized by a large number of irregular cracks which are most probably the result of metamictization, as indicated by electron diffraction images and powder X-ray patterns. The pyrochlore-group minerals provide excellent natural analogues for pyrochlore-based nuclear waste forms, because samples of variable age and with high actinide contents are available

Synthesis, crystal structure, and magnetic properties of novel 2D kagome materials RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} (RE = La, Pr, Sm, Eu, Tb, Ho): Comparison to RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14} family

Energy Technology Data Exchange (ETDEWEB)

Sanders, M.B.; Baroudi, K.M.; Krizan, J.W.; Mukadam, O.A.; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ (United States)

2016-10-15

The crystal structures and magnetic properties of RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} (RE = La, Pr, Sm, Eu, Tb, Ho) with a perfect kagome lattice are presented and compared to RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}. Rietveld structure refinements were performed using X-ray diffraction data, indicating that the layered compounds are fully structurally ordered. The compounds crystallize in a rhombohedral supercell of the cubic pyrochlore structure, in the space group R-3m. Magnetic susceptibility measurements show no signs of magnetic ordering above 2 K. The RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} family is similar to that of RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}; however, the series reported here features a fully ordered distribution of cations in both the nonmagnetic antimony and magnetic rare earth kagome lattices. Unlike the offsite disorder that Zn{sup 2+} experiences in RE{sub 3}Sb{sub 3}Zn{sub 2}O{sub 14}, the magnesium sites in RE{sub 3}Sb{sub 3}Mg{sub 2}O{sub 14} are completely ordered. Here we compare the magnetic properties in both series of kagome compounds to determine how significant Zn{sup 2+}'s positional ordering is within this structure type. The compounds reported here appear to be relatively defect-free and are therefore model systems for investigating magnetic frustration on an ideal 2D rare earth kagome lattice. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Fabrication and properties of La2-xGdxHf2O7 transparent ceramics

International Nuclear Information System (INIS)

Wang, Zhengjuan; Zhou, Guohong; Zhang, Fang; Qin, Xianpeng; Ai, Jianping; Wang, Shiwei

2016-01-01

La 2-x Gd x Hf 2 O 7 (x=0–2.0) transparent ceramics were fabricated through vacuum sintering from nano-powders synthesized by a simple combustion method. The phase composition of the powders and final ceramics, the in-line transmittance, microstructures and density of the ceramics were investigated. With the increasing of Gd content, the ceramics maintained the cubic pyrochlore structure, and the lattice parameters decreased, whilst the densities increased linearly. All the ceramics were transparent. The highest in-line transmittance was 76.1% at 800 nm (x=1.2). With high density (7.91–8.88 g/cm 3 ) and effective atomic number, some of the La 2-x Gd x Hf 2 O 7 (x=0–2.0) transparent ceramics are promising candidates for scintillator hosts. - Highlights: • A new series of La 2-x Gd x Hf 2 O 7 transparent ceramics were fabricated by vacuum sintering using combustion-synthesized powders. • All the ceramics are transparent and the in-line transmittance can reach to 76.1% at 800 nm when x=1.2. • The Gd content has effects on the crystal structure, in-line transmittance, microstructures and densities of the ceramics. • With high density (7.91~8.88 g/cm3) and effective atomic number, some of the La2-xGdxHf2O7 transparent ceramics are promising candidates for scintillator hosts.

Advanced Oxide Material Systems for 1650 Deg. C Thermal/Environmental Barrier Coating Applications

National Research Council Canada - National Science Library

Zhu, Dongming; Fox, Dennis S; Bansal, Narottam P; Miller, Robert A

2004-01-01

... systems under engine high-heat-flux and severe thermal cycling conditions. In this report, the thermal conductivity and water vapor stability of selected candidate hafnia-, pyrochlore-, and magnetoplumbite-based TEBC materials are evaluated...

VI-G, Sec. 661, P.L. 91-230. Final Performance Report.

Science.gov (United States)

1976

Presented is the final performance report of the CSDC model which is designed to provide services for learning disabled high school students. Sections cover the following program aspects: organizational structure, inservice sessions, identification of students, materials and equipment, evaluation of student performance, evaluation of the model,…

40 CFR 61.134 - Standard: Naphthalene processing, final coolers, and final-cooler cooling towers.

Science.gov (United States)

2010-07-01

... coolers, and final-cooler cooling towers. 61.134 Section 61.134 Protection of Environment ENVIRONMENTAL... Standard: Naphthalene processing, final coolers, and final-cooler cooling towers. (a) No (“zero”) emissions are allowed from naphthalene processing, final coolers and final-cooler cooling towers at coke by...

A conceptual design and structural stabilities of in-pit assembly tools for the completion of final sector assembly at tokamak hall

International Nuclear Information System (INIS)

Nam, K.O.; Park, H.K.; Kim, D.J.; Ahn, H.J.; Kim, K.K.; Im, K.; Shaw, R.

2010-01-01

The final assembly of main components of the International Thermonuclear Experimental Reactor (ITER) tokamak, Vacuum Vessel (VV) and Toroidal Field Coils (TFCs), is achieved by the sequential assembly of the nine sub-assembled 40 o sectors in tokamak pit. Each sub-assembled 40 o sector is composed of one VV 40 o sector, two TFCs, and in-between Vacuum Vessel Thermal Shield (VVTS) segments. Sub-assembly is carried out in the assembly building and then the sub-assembled sectors are transferred into tokamak pit, in sequence, to complete sector assembly. The role of in-pit assembly tool is to support and align the sub-assembled sectors in tokamak pit. It also plays the role of reference datum during assembly until the completion of main components assembly. Korea Domestic Agency (KO DA) has developed the conceptual design of most ITER purpose-built assembly tools under the collaboration with the ITER Organization. Among the conceptual designs carried out, this paper describes the function, the structure, the selected material and the design results of the in-pit assembly tools comprising central column, radial beams and their supports, TF inner supports and in-pit working floor. The results of structural analysis using ANSYS for the various loading cases are given as well. The resultant stresses and deflections turned out to fall within the allowable ranges.

Synroc for plutonium disposal

International Nuclear Information System (INIS)

Johnston, A.; Vance, E.R.

1999-01-01

A pyrochlore-rich titanate ceramic has been chosen by the US DOE for excess weapons Pu immobilisation in the USA. The development of this wasteform was based on the Synroc strategy which aims to immobilise radioactive waste in durable multiphase titanate ceramics with phases chosen to he similar to titanate minerals that exist in nature and have immobilised U and Th for billions of years. The evolution of the pyrochlore-rich ceramic for Pu immobilisation from earlier Synroc variants is described and the choice of process steps is discussed. Leaching studies demonstrate that the release rate of Pu from the wasteforms in aqueous media is very low and similar to those of U and the neutron absorbers Gd and Hf that will ensure avoidance of nuclear criticality in repository environments

Combined wet-chemical process to synthesize 65PMN-35PT nanosized powders

International Nuclear Information System (INIS)

Santos, Luis P.S.; Longo, Elson; Leite, Edson R.; Camargo, Emerson R.

2004-01-01

Columbite MgNb 2 O 6 precursors were synthesized by a wet-chemical method by means of the dissolution of Nb 2 O 5 .5H 2 O and magnesium carbonate in a solution of oxalic acid. Pure 65PMN-35PT powders could be obtained by the columbite method with the use of the partial oxalate and oxidant peroxo methods. Powders were characterized by X-ray diffraction and FT-Raman spectroscopy showing that pure 65PMN-35PT are obtained when the powders are calcined up to 800 deg. C, without any trace of Pb-Nb pyrochlore. Cubic Pb 1,86 Mg 0.24 Nb 1.76 O 6.5 pyrochlore phase is formed by lead loss in the powders calcined at 900 deg. C and higher temperatures as undoubtedly characterized by Raman spectroscopy

Lanthanide ions doped Y2Sn2O7 nano-particles: low temperature synthesis and photoluminescence study

International Nuclear Information System (INIS)

Nigam, Sandeep; Sudarsan, V.; Vatsa, R.K.

2008-01-01

During the past decade, pyrochlore-type oxides (A 2 B 2 O 7 ) have emerged as important host matrices for lanthanide doped luminescent materials due to their higher thermal stability. Up to now, conventional solid-state reaction is the most commonly used synthetic method for preparation, of rare-earth pyrochlore oxides. This synthesis route employs a solid-state reaction of metal-oxide with appropriate rare-earth oxides at high temperature (>1200 deg C) for a long time (several days). However, in present work, Y 2 Sn 2 O 7 nanoparticles co-doped with lanthanide ions Tb 3+ and Ce 3+ were prepared based on the urea hydrolysis of Y 3+ , Sn 4+ , and Ln 3+ in ethylene glycol medium at 150 deg C followed by heating at 500, 700 and 900 deg C

Structural Materials: 95. Concrete

International Nuclear Information System (INIS)

Naus, Dan J.

2012-01-01

Nuclear power plant concrete structures and their materials of construction are described, and their operating experience noted. Aging and environmental factors that can affect the durability of the concrete structures are identified. Basic components of a program to manage aging of these structures are identified and described. Application of structural reliability theory to devise uniform risk-based criteria by which existing facilities can be evaluated to achieve a desired performance level when subjected to uncertain demands and to quantify the effects of degradation is outlined. Finally, several areas are identified where additional research is desired.

Literature Review and Assessment of Nanotechnology for Sensing of Timber Transportation Structures Final Report

Science.gov (United States)

Terry Wipf; Brent M. Phares; Micheal Ritter

2012-01-01

Recently efforts have been put toward the development of civil structures that have embedded sensors and on-board data processing capabilities, typically termed “smart structures.” The fusion of these smart technologies into infrastructures is intended to give bridge owners/managers better and more timely information on how structures are behaving and when they need...

Yttria-stabilized zirkonia / gadolinium zirconate double-layer plasma-sprayed thermal barrier coating systems (TBCs)

Energy Technology Data Exchange (ETDEWEB)

Bakan, Emine

2015-07-01

Thermal barrier coating (TBC) research and development is driven by the desirability of further increasing the maximum inlet temperature in a gas turbine engine. A number of new top coat ceramic materials have been proposed during the last decades due to limited temperature capability (1200 C) of the state-of-the-art yttria-stabilized zirconia (7 wt. % Y{sub 2}O{sub 3}-ZrO{sub 2}, YSZ) at long term operation. Zirconate pyrochlores of the large lanthanides((Gd → La){sub 2}Zr{sub 2}O{sub 7}) have been particularly attractive due to their higher temperature phase stability than that of the YSZ. Nonetheless, the issues related with the implementation of pyrochlores such as low fracture toughness and formation of deleterious interphases with thermally grown oxide (TGO, Al{sub 2}O{sub 3}) were reported. The implication was the requirement of an interlayer between the pyrochlores and TGO, which introduced double-layer systems to the TBC literature. Furthermore, processability issues of pyrochlores associated with the different evaporation rates of lanthanide oxides and zirconia resulting in unfavorable composition variations in the coatings were addressed in different studies. After all, although the material properties are available, there is a paucity of data in the literature concerning the properties of the coatings made of pyrochlores. From the processability point of view the most reported pyrochlore is La{sub 2}Zr{sub 2}O{sub 7}. Hence, the goal of this research was to investigate plasma-sprayed Gd{sub 2}Zr{sub 2}O{sub 7} (GZO) coatings and YSZ/GZO double-layer TBC systems. Three main topics were examined based on processing, performance and properties: (i) the plasma spray processing of the GZO and its impact on the microstructural and compositional properties of the GZO coatings; (ii) the cycling lifetime of the YSZ/GZO double-layer systems under thermal gradient at a surface temperature of 1400 C; (iii) the properties of the GZO and YSZ coatings such as

Deliberate exotic magnetism via frustration and topology

Science.gov (United States)

Nisoli, Cristiano; Kapaklis, Vassilios; Schiffer, Peter

2017-03-01

Introduced originally to mimic the unusual, frustrated behaviour of spin ice pyrochlores, artificial spin ice can be realized in odd, dedicated geometries that open the door to new manifestations of a higher level of frustration.

Corroded Anchor Structure Stability/Reliability (CAS_Stab-R) Software for Hydraulic Structures

Science.gov (United States)

2017-12-01

Army Engineer Research and Development Center 3909 Halls Ferry Road Vicksburg, MS 39180-6199 Final report Approved for public release...and maintenance of a large inventory of concrete navigation structures. Over the last 40 years, a number of existing Corps hydraulic structures have...ORGANIZATION NAME(S) AND ADDRESS(ES) Information Technology Laboratory U.S. Army Engineer Research and Development Center 3909 Halls Ferry Road

Structural Studies of Bacterial Enzymes and their Relation to Antibiotic Resistance Mechanisms - Final Paper

Energy Technology Data Exchange (ETDEWEB)

Maltz, Lauren [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-08-27

By using protein crystallography and X-ray diffraction, structures of bacterial enzymes were solved to gain a better understanding of how enzymatic modification acts as an antibacterial resistance mechanism. Aminoglycoside phosphotransferases (APHs) are one of three aminoglycoside modifying enzymes that confer resistance to the aminoglycoside antibiotics via enzymatic modification, rendering many drugs obsolete. Specifically, the APH(2”) family vary in their substrate specificities and also in their preference for the phosphate donor (ADP versus GDP). By solving the structures of members of the APH(2”) family of enzymes, we can see how domain movements are important to their substrate specificity. Our structure of the ternary complex of APH(2”)-IIIa with GDP and kanamycin, when compared to the known structures of APH(2”)-IVa, reveals that there are real physical differences between these two enzymes, a structural finding that explains why the two enzymes differ in their preferences for certain aminoglycosides. Another important group of bacterial resistance enzymes are the Class D β- lactamases. Oxacillinase carbapenemases (OXAs) are part of this enzyme class and have begun to confer resistance to ‘last resort’ drugs, most notably carbapenems. Our structure of OXA-143 shows that the conformational flexibility of a conserved hydrophobic residue in the active site (Val130) serves to control the entry of a transient water molecule responsible for a key step in the enzyme’s mechanism. Our results provide insight into the structural mechanisms of these two different enzymes

On the importance of cotranscriptional RNA structure formation

Science.gov (United States)

Lai, Daniel; Proctor, Jeff R.; Meyer, Irmtraud M.

2013-01-01

The expression of genes, both coding and noncoding, can be significantly influenced by RNA structural features of their corresponding transcripts. There is by now mounting experimental and some theoretical evidence that structure formation in vivo starts during transcription and that this cotranscriptional folding determines the functional RNA structural features that are being formed. Several decades of research in bioinformatics have resulted in a wide range of computational methods for predicting RNA secondary structures. Almost all state-of-the-art methods in terms of prediction accuracy, however, completely ignore the process of structure formation and focus exclusively on the final RNA structure. This review hopes to bridge this gap. We summarize the existing evidence for cotranscriptional folding and then review the different, currently used strategies for RNA secondary-structure prediction. Finally, we propose a range of ideas on how state-of-the-art methods could be potentially improved by explicitly capturing the process of cotranscriptional structure formation. PMID:24131802

The development of sectoral final and basic energy demand in the Federal Republic of Germany

International Nuclear Information System (INIS)

Reents, H.

1977-08-01

The detailed knowledge of the demand structures and their determining factors is an important precondition for estimating the possible developments of future energy demand. In this report the past developments of the final and basic energy demand in the different demand categories private households, commercial sector, industry and transportation will be analyzed. The demonstrated relations are the basis for a final energy demand model. With the help of this model a scenario of the future development of the final energy demand in the different sectors will be built. It is the aim of this scenario to show, how alternative actions (insulation, gas-heat pump) influence the future development of the final energy demand. (orig.) [de

Relationship of Sibling Structure and Interaction to Categorization Ability. Final Report.

Science.gov (United States)

Cicirelli, Victor G.; And Others

This study identified behaviors of sibling pairs interacting on a cognitive task and related these behaviors to sibling structure variables (age and sex of each sibling and age spacing between them) and to measure of cognitive abilities of the younger sibling. Subjects were 160 sibling pairs randomly selected from appropriate subpopulations of…

Seismic safety margins research program. Phase I final report - Major structure response (Project IV)

International Nuclear Information System (INIS)

Benda, B.J.; Johnson, J.J.; Lo, T.Y.

1981-08-01

The primary task of the Major Structure Response Project within the Seismic Safety Margins Research Program (SSMRP) was to develop detailed finite element models of the Zion Nuclear Power Plant's containment building and auxiliary-fuel-turbine (AFT) complex. The resulting models served as input to the seismic methodology analysis chain. The containment shell was modeled as a series of beam elements with the shear and bending characteristics of a circular cylindrical shell. Masses and rotary inertias were lumped at nodal points; thirteen modes were included in the analysis. The internal structure was modeled with three-dimensional finite elements, with masses again lumped at selected nodes; sixty modes were included in the analysis. The model of the AFT complex employed thin plate and shell elements to represent the concrete shear walls and floor diaphragms, and beam and truss elements to model the braced frames. Because of the size and complexity of the model, and the potentially large number of degrees of freedom, masses were lumped at a limited number of node points. These points were selected so as to minimize the effect of the discrete mass distribution on structural response. One hundred and thirteen modes were extracted. A second objective of Project IV was to investigate the effects of uncertainty and variability on structural response. To this end, four side studies were conducted. Three of them, briefly summarized in this volume, addressed themselves respectively to an investigation of sources of random variability in the dynamic response of nuclear power plant structures; formulation of a methodology for modeling and evaluating the effects of structural uncertainty on predicted modal characteristics of major nuclear power plant structures and substructures; and a preliminary evaluation of nonlinear responses in shear-wall structures. A fourth side study, reported in detail in this volume, quantified variations in dynamic characteristics and seismic

Final Scientific/Technical Report

Energy Technology Data Exchange (ETDEWEB)

Reeder, Richard [Stony Brook Univ., NY (United States); Phillips, Brian [Stony Brook Univ., NY (United States)

2017-10-18

A variety of calcifying organisms produce a transient or metastable amorphous calcium carbonate (ACC) precursor phase that is assembled and subsequently transformed into a crystalline biomineral, typically calcite or aragonite. The complex shapes, hierarchical structures, and unique physical properties of the biominerals that result from this calcification pathway have stimulated interest in adapting these concepts for the design and creation of bio-inspired functional materials in the laboratory. ACC also forms as a reactive precursor in diverse inorganic systems and is likely to play a much broader role in calcium carbonate formation. Knowledge of the structure, composition, and behavior of this metastable phase is critical for establishing a structural and mechanistic framework for calcium carbonate formation and its role in biogeochemical processes, including carbon cycling. Minor additives, such as magnesium, phosphorus, and organic macromolecules, are known to play important roles in controlling ACC stability, transformation kinetics, and selection of final crystalline polymorph. Molecular water also occurs in many types of ACC and is thought to play a structural role in its stability and transformation behavior. One of the major challenges that remain unresolved is identification of the structural basis for the role of these minor additives and molecular water. The absence of long-range order in ACC, and other amorphous phases, has posed a challenge for study by techniques commonly used for crystalline solids. Preliminary studies in our group show that the combination of two techniques, synchrotron X-ray-based pair distribution function (PDF) analysis and nuclear magnetic resonance (NMR) spectroscopy can provide entirely new insight to structural properties of synthetic ACC over length scales that are most relevant for understanding its transformation properties. Building on preliminary experiments, we propose a systematic study of synthesis, structure, and

DIMEC - Final Report

DEFF Research Database (Denmark)

Conrad, Finn

1997-01-01

Final report of the research project DIMEC - Danish InfoMechatronic Control supported by the Danish Technical Research Council, STVF.......Final report of the research project DIMEC - Danish InfoMechatronic Control supported by the Danish Technical Research Council, STVF....

The influence of construction measurement and structure storey on seismic performance of masonry structure

Science.gov (United States)

Sun, Baitao; Zhao, Hexian; Yan, Peilei

2017-08-01

The damage of masonry structures in earthquakes is generally more severe than other structures. Through the analysis of two typical earthquake damage buildings in the Wenchuan earthquake in Xuankou middle school, we found that the number of storeys and the construction measures had great influence on the seismic performance of masonry structures. This paper takes a teachers’ dormitory in Xuankou middle school as an example, selected the structure arrangement and storey number as two independent variables to design working conditions. Finally we researched on the seismic performance difference of masonry structure under two variables by finite element analysis method.

Mono pile foundation. Final report

Energy Technology Data Exchange (ETDEWEB)

Lyngesen, S.; Brendstrup, C.

1997-02-01

The use of mono piles as foundations for maritime structures has been developed during the last decades. The installation requirements within the offshore sector have resulted in equipment enabling driving of piles up to 3-4 m to large penetration depths. The availability of this equipment has made the use of large mono piles feasible as foundations for structures like wind turbines. The mono pile foundations consists of three parts; the bare pile, a conical transition and a boat landing. All parts are prefitted at the yard in order to minimise the installation work that has to be carried out offshore. The study of a mono pile foundations for a 1.5 MW wind turbine has been conducted for two locations, Horns Rev and Roedsand. Three different water depths: 5, 8 and 11 m have been investigated in the study. The on-site welding between pile and conical transition is performed by an automatic welding machine. Final testing and eventually repair of the weld are conducted at least 16 hours after welding. This is followed by final installation of J-tube, tie-in to subsea cables and installation of the impressed current system for corrosive protection of the mono pile. The total cost for procurement and installation of the mono pile using the welded connection is estimated. The price does not include procurement and installation of access platform and boat landing. These costs are estimated to 250.000 DKK. Depending on water depth the cost of the pile ranges from 2,2 to 2,7 million DKK. Procurement and fabrication of the pile are approx. 75% of the total costs. The remaining 25% are due to installation. The total costs are very sensitive to the unit price of pile steel. During the project it became obvious that ice load has a very large influence on the dimensions of the mono pile. (EG)

Structural Acoustic UXO Detection and Identification in Marine Environments

Science.gov (United States)

2016-05-01

a thick steel wall, is cylindrical, and has an aspect ratio of about 5:1. Further, the interior water can support acoustic waves as does the epoxy...FINAL REPORT Structural Acoustic UXO Detection and Identification in Marine Environments SERDP Project MR-2103 MAY 2016 B. H...NUMBER Structural Acoustic UXO Detection and Identification in Marine Environments- Final report for Follow-on Work- MR-2103 Sb. GRANT NUMBER Sc

Research into Flexibility Services. Final Report

International Nuclear Information System (INIS)

2005-03-01

The Dutch Office for Energy Regulation (DTe) is currently investigating the Dutch gas flexibility market. DTe is concerned that Gasunie is dominant in the market. In order to take a view of Gasunie's market position, DTe needs to first define the market for gas flexibility services and then explore whether Gasunie is dominant in the market (or markets). DTe has commissioned Frontier to undertake the respective formal analysis. This report summarises the findings by Frontier. On the basis of this report and a formal consultation process, We follow a three-step approach to the study: (1) We first define the relevant markets for gas flexibility (Section 3); (2) We then analyse the structure of the markets for flexibility that we have defined (Section 4); (3) Finally, we assess whether Gasunie is dominant in the relevant markets, taking account of market shares and other competitive effects (Section 5). This document is the Final Report, which contains our views as to the market definition for gas flexibility and the position of Gasunie in the market. The remainder of this document is set out as follows: Section 2 provides an overview of aspects of the Dutch gas industry relevant to this study; Section 3 sets out our approach to defining the market and de-Mops our conclusions on the markets for gas flexibility; Section 4 provides our view as to the structure of the relevant flexibility markets as defined in Section 3; Section 5 reports our assessment as to whether Gasunie is dominant in the relevant markets, taking account of market shares and other competitive effects; Section 6 sets out our conclusions about the competitive assessment. We include three annexes that set out details related to the market definition and analysis of dominance

Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Glasser, Alan H. [Fusion Theory and Computation Inc., Kingston, WA (United States)

2018-02-02

Final technical report on DE-SC0016106. This is the final technical report for a portion of the multi-institutional CEMM project. This report is centered around 3 publications and a seminar presentation, which have been submitted to E-Link.

Final Report of the Final Meeting of Project Coordinators

International Nuclear Information System (INIS)

Cordero Calderon, Carlos F.

1996-06-01

The Costa Rican Electricity Institute has always been worried of the verification of the good state of the works and thus to guarantee their operation. For that reason, it has established different sorts of auscultation of the Arenal's Dam. Some investigations have been done to find new methods to improve and to eliminate risks in different works or projects. The Arenal's Dam is one of the greatest engineering works in Costa Rica, it has the Arenal, Corobici and Sandillal Hydroelectric Plants. Furthermore, the irrigation system in the Tempisque River Valley, in the Guanacaste province. One special characteristic of the Site of the Dam, is the near location of the Arenal Volcano, in full activity and located at 6 Km. from the dam. This report has two goals, one is the traditional permanent measurements report for the project, and the other, is to present it as a final work of the Project Arcal XVIII, to the International Atomic Energy Agency. This report analyses the geo-hydraulic, structural and topographic auscultation, as well as the activities accomplished during the ARCAL XVIII /8/018, Application of Tracer Techniques for Leakage in Dams and Damming Project, based on information gathered through the geo-chemical auscultation, until June 1996. (author).30 ills., 80 charts, 35 tabs

Structures in sculptures

DEFF Research Database (Denmark)

Vanggaard, Ole

Conceptual design of structures in architecture involves a dialog between a structural and an architectural concept. The architecture is very often changed in this process. The dialog between the parties are described and well known. It is often very difficult to bridge the gab between...... the different concepts and find a final synthesis, but the problem is known. Large sculptures represent structural challenges. The design of the supports inside the structures reveals often a very different world from the outside view of the sculpture. The piece of art and its structure may have two very...... different lives. A sculpture of today may be very dissimilar from what we have seen earlier. The structure becomes sometimes a visual part of the art. Ultimately, there may not be any distinction between structure and art. The technical demand, the durability and the safety are just as important for a large...

Chemical synthesis and characterization of nano-sized rare-earth ...

Indian Academy of Sciences (India)

2

pyrochlore samples indicated a single phase crystalline material with a cubic ... vary with the size and the surface area of the particles.6 Thus, a method to ..... From qualitative band-model consideration of the type discussed by Goodenough.

Ising versus XY anisotropy in frustrated R(2)Ti(2)O(7) compounds as "Seen" by Polarized Neutrons.

Science.gov (United States)

Cao, H; Gukasov, A; Mirebeau, I; Bonville, P; Decorse, C; Dhalenne, G

2009-07-31

We studied the field induced magnetic order in R(2)Ti(2)O(7) pyrochlore compounds with either uniaxial (R=Ho, Tb) or planar (R=Er, Yb) anisotropy, by polarized neutron diffraction. The determination of the local susceptibility tensor {chi(parallel to),chi(perpendicular)} provides a universal description of the field induced structures in the paramagnetic phase (2-270 K), whatever the field value (1-7 T) and direction. Comparison of the thermal variations of chi(parallel to) and chi(perpendicular) with calculations using the rare earth crystal field shows that exchange and dipolar interactions must be taken into account. We determine the molecular field tensor in each case and show that it can be strongly anisotropic.

Use of Video-Projected Structured Clinical Examination (ViPSCE) instead of the traditional oral (Viva) examination in the assessment of final year medical students.

Science.gov (United States)

El Shallaly, Gamal; Ali, Eltayeb

2004-03-01

Assessment of medical students using the traditional oral (viva) system has been marred by being highly subjective, non-structured, and biased. The use of the objective structured clinical examination (OSCE) would circumvent these disadvantages. The OSCE is, however, costly and time-consuming particularly if used for assessment of large numbers of students. The need for another form of examination that enjoys the advantages of the OSCE while avoiding its disadvantages in the face of limited resources has been the inspiration behind this innovative approach. (1) To identify the characteristics of the new Video-Projected Structured Clinical Examination (ViPSCE). (2) To compare the acceptability of ViPSCE and OSCE by students and tutors. (3) To compare the time-effectiveness of ViPSCE and OSCE. We used a slide video projection to assess the surgical knowledge, problem solving and management abilities of 112 final year medical students at Alazhari University, Khartoum, Sudan. Students completed evaluation forms at the end of the examination. The administration of the ViPSCE was smooth and straightforward. Feedback of the students showed that they preferred the ViPSCE to both traditional oral (viva) examination and OSCE. The examination time was 2 hours using video projection compared to the 6 hours that it used to take a class of 112 students to complete a classical OSCE. The ViPSCE is a better replacement for the traditional oral exam. It is much less time- consuming than traditional OSCE.

Final Report of Project Nanometer Structures for Fuel Cells and Displays, etc.

Energy Technology Data Exchange (ETDEWEB)

Ji, Qing

2011-12-15

Low-energy ion beam bombardment induced self-assembly has been used to form various periodic nano-size wave-ordered structures (WOS). Such WOS can be used as hard etching masks to produce nanowire arrays, trenches etc., on other materials by means of traditional etching or ion sputtering. These periodic nano-size structures have a wide range of applications, including flat panel displays, optical electronics, and clean energy technologies (solar and fuel cells, lithium batteries). In order to achieve high throughput of the above processes, a large area RF-driven multicusp nitrogen ion source has been developed for the application of nitrogen ion beam induced surface modification. An integrated ion beam system, which can house either a large area RF-driven multicusp ion source or a commercially available microwave ion source (Roth & Rau AG Tamiris 400-f) have been designed, manufactured, assembled, and tested.

Powder-based synthesis of nanocrystalline material components for structural application. Final report

Energy Technology Data Exchange (ETDEWEB)

Ilyuschenko, A.F.; Ivashko, V.S.; Okovity, V.A. [Powder Metallurgy Research Inst., Minsk (Belarus)] [and others

1998-12-01

Hydroxiapate spray coatings and substrates for implant production as well as multilayered metal ceramic coatings from nanocrystalline materials are a subject of the investigation. The work aims at the improvement of quality of said objects. This study has investigated the processes of hydroxiapatite powder production. Sizes, shapes and relief of initial HA powder surface are analyzed using SEM and TEM. Modes of HA plasma spraying on a substrate from titanium and associated compositions of traditional and nanocrystalline structure are optimized. The quality of the sprayed samples are studied using X-ray phase analysis and metallographic analysis. The results of investigations of bioceramic coating spraying on titanium are theoretically generalized, taking into account obtained experimental data. The results of investigations of ion-beam technology are presented for spraying multilayered coatings consisting of alternating metal-ceramic layers of nanocrystalline structure.

Size-dependent characteristics of ultra-fine oxygen-enriched nanoparticles in austenitic steels

Energy Technology Data Exchange (ETDEWEB)

Miao, Yinbin, E-mail: ymiao@anl.gov [Argonne National Laboratory, Lemont, IL 60439 (United States); University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Mo, Kun [Argonne National Laboratory, Lemont, IL 60439 (United States); Zhou, Zhangjian [University of Science and Technology Beijing, Beijing 100082 (China); Liu, Xiang; Lan, Kuan-Che [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Zhang, Guangming [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); University of Science and Technology Beijing, Beijing 100082 (China); Miller, Michael K.; Powers, Kathy A. [Oak Ridge National Laboratory, Oak Ridge, TN 37830 (United States); Stubbins, James F. [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); International Institute for Carbon-Neutral Energy Research (I2CNER), Kyushu University, Fukuoka 819-0395 (Japan)

2016-11-15

Here, a coordinated investigation of the elemental composition and morphology of ultra-fine-scale nanoparticles as a function of size within a variety of austenitic oxide dispersion-strengthened (ODS) steels is reported. Atom probe tomography was utilized to evaluate the elemental composition of these nanoparticles. Meanwhile, the crystal structures and orientation relationships were determined by high-resolution transmission electron microscopy. The nanoparticles with sufficient size (>4 nm) to maintain a Y{sub 2}Ti{sub 2−x}O{sub 7−2x} stoichiometry were found to have a pyrochlore structure, whereas smaller Y{sub x}Ti{sub y}O{sub z} nanoparticles lacked a well-defined structure. The size-dependent characteristics of the nanoparticles in austenitic ODS steels differ from those in ferritic/martensitic ODS steels. - Highlights: • The structural and chemical characteristics of nanoparticles are revealed. • Nanoparticles' crystal structure and elemental composition are size-dependent. • Characteristics of austenitic ODS steels are compared to that of an F/M ODS steel. • Hypothesis about the formation mechanism of nanoparticles is proposed accordingly.

Final report for DESC0004031

Energy Technology Data Exchange (ETDEWEB)

Kitchin, John [Carnegie Mellon Univ., Pittsburgh, PA (United States)

2016-08-08

In this project we aim to develop new multicomponent oxide-based electrocatalysts for the oxygen evolution reaction using combined theoretical and experimental approaches. We use density functional theory to compute the electronic structure and reactivity proxies of model oxide materials. From the understanding generated from these calculations, we synthesize materials and characterize their oxygen evolution activity. We use in situ spectroscopic methods to characterize oxide electrodes under reaction conditions. We also develop new data sharing strategies to facilitate the reuse of our data by others. Our work has several potential impacts of interest to DOE. First, the discovery of new oxygen evolution electrocatalysts directly affects the efficiency of many energy-related processes from hydrogen generation to air separation and electrochemical fuel synthesis. Second, we have identified new ways to promote the oxygen evolution reaction for some materials through the electrolyte. This opens new pathways to improving the efficiency of processes involving oxygen evolution. The ability to characterize electrodes under operating conditions enables new insights into the actual structure and composition of the materials, which we are finding are not the same as the as prepared materials. Finally, DOE has significant need and interest in improving the ability to share data among researchers.

Energy-related atomic and molecular structure and scattering studies: Final report

International Nuclear Information System (INIS)

1987-01-01

The general goals of the DOE research concerned the use of molecular beams techniques in the study of atomic and molecular polarizabilities and the study of the interactions between electrons and highly polar molecules. Both of these goals are directly relevant to the general problem of the role played by long-range forces in atomic and molecular physics. Details related to this motivation can be found in the published literature. Here we will describe in general terms the work performed under DOE sponsorship in the atomic beams laboratory at NYU. Our original intent was to exploit techniques developed at NYU, mainly in the study of simple atomic systems, to the more complex atomic and molecular systems that are related to DOE interests. These included the developing understanding of the structure of molecular systems, particularly of alkali halide molecules, and the study of the interactions of electrons with such molecules. The structure experiments would serve as critical experimental benchmarks for computational techniques on molecular properties, including both molecular wave functions and derivative properties of them, such as vibrational and rotational constants, but in particular of molecular electric dipole polarizabilities. We believe that we have at least to some extent fulfilled these goals. 16 refs., 1 fig

Hydroxycalciopyrochlore from a regionally metamorphic marble at Bližná, Southwestern Czech Republic

Czech Academy of Sciences Publication Activity Database

Drábek, M.; Frýda, J.; Šarbach, M.; Skála, Roman

2017-01-01

Roč. 194, č. 1 (2017), s. 49-59 ISSN 0077-7757 Institutional support: RVO:67985831 Keywords : hydroxycalciopyrochlore * pyrochlore * carbonatite-like marble * marble * Moldanubian Varied Group Subject RIV: DB - Geology ; Mineralogy OBOR OECD: Mineralogy Impact factor: 0.811, year: 2016

De novo structural modeling and computational sequence analysis ...

African Journals Online (AJOL)

Different bioinformatics tools and machine learning techniques were used for protein structural classification. De novo protein modeling was performed by using I-TASSER server. The final model obtained was accessed by PROCHECK and DFIRE2, which confirmed that the final model is reliable. Until complete biochemical ...

Nuclear Structure Studies of Exotic Nuclei with Radioactive Ion Beams A Final Report

Energy Technology Data Exchange (ETDEWEB)

Winger, Jeff Allen [Mississippi State Univ., Mississippi State, MS (United States)

2016-04-21

Beta-decay spectroscopy provides important information on nuclear structure and properties needed to understand topics as widely varied as fundamental nuclear astrophysics to applied nuclear reactor design. However, there are significant limitations of our knowledge due to an inability to experimentally measure everything. Therefore, it is often necessary to rely on theoretical calculations which need to be vetted with experimental results. The focus of this report will be results from experimental research performed by the Principal Investigator (PI) and his research group at Mississippi State University in which the group played the lead role in proposing, implementing, performing and analyzing the experiment. This research was carried out at both the National Superconduction Cyclotron Laboratory (NSCL) at Michigan State University and the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Laboratory. The primary emphasis of the research was the use of \\bdec spectroscopy as a tool to understand the evolution of nuclear structure in neutron-rich nuclei which could then be applied to improve theory and to increase the overall knowledge of nuclear structure.

Micromechanical Structures Fabrication; FINAL

International Nuclear Information System (INIS)

Rajic, S

2001-01-01

Work in materials other than silicon for MEMS applications has typically been restricted to metals and metal oxides instead of more ''exotic'' semiconductors. However, group III-V and II-VI semiconductors form a very important and versatile collection of material and electronic parameters available to the MEMS and MOEMS designer. With these materials, not only are the traditional mechanical material variables (thermal conductivity, thermal expansion, Young's modulus, etc.) available, but also chemical constituents can be varied in ternary and quaternary materials. This flexibility can be extremely important for both friction and chemical compatibility issues for MEMS. In addition, the ability to continually vary the bandgap energy can be particularly useful for many electronics and infrared detection applications. However, there are two major obstacles associated with alternate semiconductor material MEMS. The first issue is the actual fabrication of non-silicon micro-devices and the second impediment is communicating with these novel devices. We have implemented an essentially material independent fabrication method that is amenable to most group III-V and II-VI semiconductors. This technique uses a combination of non-traditional direct write precision fabrication processes such as diamond turning, ion milling, laser ablation, etc. This type of deterministic fabrication approach lends itself to an almost trivial assembly process. We also implemented a mechanical, electrical, and optical self-aligning hybridization technique for these alternate-material MEMS substrates

GENRE ANALYSIS OF THE ENGLISH FINAL PROJECT ABSTRACTS WRITTEN BY THE STUDENTS OF ENGLISH EDUCATION DEPARTMENT OF IKIP PGRI SEMARANG

Directory of Open Access Journals (Sweden)

Wiyaka Wiyaka

2010-12-01

Full Text Available This study is specifically focused on the student final project abstract based on genre analysis which covers the study of the generic structure and the linguistic features. The statements of the study are: (1. How do the students of English Education Department of IKIP PGRI Semarang realize the generic structure in their final project abstracts (2. How do they realize the linguistic features in their final project abstracts, and (3. What is the contribution of the result of the study to the English Education Program of IKIP PGRI Semarang. The main purpose of this study is to find out the generic structure and linguistic features of the final project abstracts and analyze the contribution of this study to the English Department. This study applies the descriptive qualitative method. The object of this study is the final project abstracts written by English Education Department students of ‘IKIP PGRI Semarang’. The total of 10 final projects formed the data of this study. The data of the study were analyzed using the genre analysis approach. The first step of data analysis was identifying the Moves which was done by using Linguistic evidence and understanding the texts. The finding shows that only some of the final project abstracts made by the students of IKIP PGRI applied the five Moves. It is found that two Moves are applied in all abstracts, they are Purpose and Method Moves (100%. Situating the research is used in five abstracts (50%. Meanwhile the third move that is the Result Move used in eight abstracts (80%. The Conclusion Move found in five abstracts (50%. The result of the analysis showed that two personal pronouns were found in the final project abstracts. Personal pronouns such as ‘the writer’ and ‘the researcher’ were found in all of the abstracts. Personal pronoun ‘she’ was found in one abstract. Finally, there are only five expressions of hedges that are used in the final project abstracts, they

Investigation of lunar crustal structure and isostasy. Final technical report

International Nuclear Information System (INIS)

Thurber, C.H.

1987-07-01

The lunar mascon basins have strongly free air gravity anomalies, generally exceeding 100 milligals at an elevation of 100 km. The source of the anomalies is a combination of mantle uplift beneath the impact basins and subsequent infilling by high-density mare basalts. The relative contribution of these two components is still somewhat uncertain, although it is generally accepted that the amount of mantle uplift greatly exceeds the thickness of the basalts. Extensive studies have been carried out of the crustal structure of mare basins, based on gravity data, and their tectonic evolution, based on compressive and extensional tectonic features. The present study endeavored to develop a unified, self-consistent model of the lunar crust and lithosphere incorporating both gravity and tectonic constraints

AstroNet-II International Final Conference

CERN Document Server

Masdemont, Josep

2016-01-01

These are the proceedings of the "AstroNet-II International Final Conference". This conference was one of the last milestones of the Marie-Curie Research Training Network on Astrodynamics "AstroNet-II", that has been funded by the European Commission under the Seventh Framework Programme. The aim of the conference, and thus this book, is to communicate work on astrodynamics problems to an international and specialised audience. The results are presented by both members of the network and invited specialists. The topics include: trajectory design and control, attitude control, structural flexibility of spacecraft and formation flying. The book addresses a readership across the traditional boundaries between mathematics, engineering and industry by offering an interdisciplinary and multisectorial overview of the field.

Reforming British Columbia's electricity market: A way forward. Final report

International Nuclear Information System (INIS)

1998-01-01

This report begins with background on developments in electricity market structure and customer access, recent electricity market developments in British Columbia, factors driving change in that market, key elements of electricity market reform, and the work of the task force appointed to propose such reform. It then presents a consensus proposal for reform from the task force. The proposal has four major elements: Increasing customer access; transition toward a vertically de-integrated market structure; ensuring that social values associated with the existing electricity market are protected and enhanced; and environmental concerns (increasing energy efficiency and favoring the development of environmentally desirable electricity generation technologies). Finally, the proposals are evaluated against the task force terms of reference. Includes glossary

76 FR 6455 - Final Programmatic Environmental Impact Statement (PEIS) for the Growth, Realignment, and...

Science.gov (United States)

2011-02-04

... alternative, the Army would retain its aviation force structure at its current levels, configurations, and.... The primary environmental issues evaluated include impacts to air quality, soil, airspace, cultural... DEPARTMENT OF DEFENSE Department of the Army Final Programmatic Environmental Impact Statement...

User's Manual and Final Report for Hot-SMAC GUI Development

Science.gov (United States)

Yarrington, Phil

2001-01-01

A new software package called Higher Order Theory-Structural/Micro Analysis Code (HOT-SMAC) has been developed as an effective alternative to the finite element approach for Functionally Graded Material (FGM) modeling. HOT-SMAC is a self-contained package including pre- and post-processing through an intuitive graphical user interface, along with the well-established Higher Order Theory for Functionally Graded Materials (HOTFGM) thermomechanical analysis engine. This document represents a Getting Started/User's Manual for HOT-SMAC and a final report for its development. First, the features of the software are presented in a simple step-by-step example where a HOT-SMAC model representing a functionally graded material is created, mechanical and thermal boundary conditions are applied, the model is analyzed and results are reviewed. In a second step-by-step example, a HOT-SMAC model of an actively cooled metallic channel with ceramic thermal barrier coating is built and analyzed. HOT-SMAC results from this model are compared to recently published results (NASA/TM-2001-210702) for two grid densities. Finally, a prototype integration of HOTSMAC with the commercially available HyperSizer(R) structural analysis and sizing software is presented. In this integration, local strain results from HyperSizer's structural analysis are fed to a detailed HOT-SMAC model of the flange-to-facesheet bond region of a stiffened panel. HOT-SMAC is then used to determine the peak shear and peel (normal) stresses between the facesheet and bonded flange of the panel and determine the "free edge" effects.

The crystal structure of urea nitrate

NARCIS (Netherlands)

Harkema, Sybolt; Feil, D.

1969-01-01

The structure of urea nitrate has been solved, by the use of three-dimensional X-ray data. Data were collected using Cu Ke and Mo K0~ radiations. The structure consists of layers with urea and nitrate groups held together by hydrogen bonds. The positions of all hydrogen atoms were found. The final R

Direct Flotation of Niobium Oxide Minerals from Carbonatite Niobium Ores

Science.gov (United States)

Ni, Xiao

Currently the recovery of niobium oxide minerals from carbonatite niobium ores relies on the use of non-selective cationic collectors. This leads to complicated process flowsheets involving multiple desliming and multiple reverse flotation stages, and low niobium recovery. In this research, anionic collectors that are capable of strong chemisorption on the niobium minerals were studied with the objective of directly floating the niobium oxide minerals from the carbonatite ores. In the flotation of both high purity minerals and Niobec ores, it was shown that the combination of hydroxamic acid and sodium metaphosphate was an effective reagent scheme for the direct flotation of niobium oxide from its ores. Batch flotation on the Niobec Mill Feed showed that over 95% of niobium oxide was recovered into a rougher concentrate that was less than 47% of the original feed mass. Preliminary cleaning tests showed that the reagent scheme could also be used to upgrade the rougher concentrate, although the depression of iron oxide minerals required further study. X-ray photoelectron spectroscopic (XPS) measurement results confirm that OHA (octyl hydroxamic acid) could chemisorb on pyrochlore surface while only physically adsorb on calcite, judging by the chemical shifts of electron binding energies in the elements in both OHA and the mineral surfaces. When hydroxamic acid was adsorbed on calcite surface, the binding energies of the N 1s electrons, at 400.3 eV, did not shift. However, after adsorption on pyrochlore, the N 1s binding energy peak split into two peaks, one at a binding energy of around 399 eV, representing chemically adsorbed OHA, the other at between 400 and 401 eV. The experimental data suggested a strong chemisorption of the OHA on pyrochlore surface in the form of a vertical head-on orientation of the OHA molecules so that the pyrochlore was strongly hydrophobized even at low OHA concentrations, followed by possibly randomly oriented physisorbed OHA molecules

Some economic aspects of the conversion of raw materials into final products

Energy Technology Data Exchange (ETDEWEB)

Pick, H J [Univ. of Aston, Birmingham, Eng.; Becker, P E

1978-01-01

In a previous paper Pick and Becker analyzed the direct and indirect relations between energy and the ''physical structure'' materials used by the engineering and construction industries. The present paper provides a more general description of materials conversion from natural resources to final products. The cost of raw materials, only some 30 percent of which come from the developing countries, accounts for a relatively small proportion of final product costs, the remaining product costs arising from the progressive application of labor, capital, energy, etc. Emphasis is placed on the complete interdependence of the inputs to manufacturing; a change in any one having implications for the remainder. Materials substitution, while in principle providing an adaptive mechanism to change, also has implications for a wide range of factors of production and for social and industrial issues such as regional employment, the demand for specific trades and professions, for research and development and for industrial structure and capital investment. Full allowance for this interdependence needs to be an integral part of effective long term policy formulation and of research and development planning.

Fabrication and properties of La{sub 2-x}Gd{sub x}Hf{sub 2}O{sub 7} transparent ceramics

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhengjuan [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhou, Guohong, E-mail: sic_zhough@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhang, Fang; Qin, Xianpeng [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Ai, Jianping [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Wang, Shiwei, E-mail: swwang51@mail.sic.ac.cn [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China)

2016-01-15

La{sub 2-x}Gd{sub x}Hf{sub 2}O{sub 7} (x=0–2.0) transparent ceramics were fabricated through vacuum sintering from nano-powders synthesized by a simple combustion method. The phase composition of the powders and final ceramics, the in-line transmittance, microstructures and density of the ceramics were investigated. With the increasing of Gd content, the ceramics maintained the cubic pyrochlore structure, and the lattice parameters decreased, whilst the densities increased linearly. All the ceramics were transparent. The highest in-line transmittance was 76.1% at 800 nm (x=1.2). With high density (7.91–8.88 g/cm{sup 3}) and effective atomic number, some of the La{sub 2-x}Gd{sub x}Hf{sub 2}O{sub 7} (x=0–2.0) transparent ceramics are promising candidates for scintillator hosts. - Highlights: • A new series of La{sub 2-x}Gd{sub x}Hf{sub 2}O{sub 7} transparent ceramics were fabricated by vacuum sintering using combustion-synthesized powders. • All the ceramics are transparent and the in-line transmittance can reach to 76.1% at 800 nm when x=1.2. • The Gd content has effects on the crystal structure, in-line transmittance, microstructures and densities of the ceramics. • With high density (7.91~8.88 g/cm3) and effective atomic number, some of the La2-xGdxHf2O7 transparent ceramics are promising candidates for scintillator hosts.

Low temperature molten salt synthesis of Y2Sn2O7 anode material for lithium ion batteries

International Nuclear Information System (INIS)

Nithyadharseni, P.; Reddy, M.V.; Ozoemena, Kenneth I.; Balakrishna, R. Geetha; Chowdari, B.V.R.

2015-01-01

Highlights: • For the first time Y 2 Sn 2 O 7 compound was prepared at very low temperature by molten salt method. • We studied the effect of reheating on electrochemical properties. • All the compounds showed particle size of below 500 nm. • The all compounds showed a stable and good capacity retention during cycling. - Abstract: For the first time, yttrium tin oxide (Y 2 Sn 2 O 7 ) compound is prepared at low temperature (400 °C) with cubic pyrochlore structure via molten salt method using KOH as a flux for their electrochemical applications. The final product is reheated at three different temperatures of 600, 800 and 1000 °C for 6 h in air, are physically and chemically characterized by various techniques such as X-ray diffraction (XRD), scanning electron microscope (SEM) and electrochemical studies of galvanostatic cycling (GC), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). Galvanostatic cycling of Y 2 Sn 2 O 7 compounds are carried out with three different current densities of 60, 100 and 250 mA g −1 and the potential range of 0.005–1.0 V vs. Li. The EIS is carried out to study the electrode kinetics during discharge and charge at various voltages and corresponding variation of resistance and capacitance values are discussed.

Characterization of energy conversion of multiferroic PFN and PFN:Mn

Directory of Open Access Journals (Sweden)

Lucjan Kozielski

2013-12-01

Full Text Available Characterization of energy conversion of multiferroic materials is concerned with multifunctional properties of materials, a topic that is fascinating from the scientific point of view and important for the modern technology. The complex characterization of multiferroic structures suffers at present from lack of a systematic experimental approach and deficiency of multifunctional magnetoelectric properties testing capabilities. Compactness and high frequency energy conversion capacity are the main reasons of invention and improvement of sophisticated materials which are prepared for high-speed computer memories and broadband transducer devices. As a consequence, one can easily notice an intense search for new materials for generation, transformation and amplification of magnetic and electric energies. In this scenario, the combination of excellent piezoelectric and magnetic properties makes lead iron niobate Pb(Fe1/2Nb1/2O3 (PFN an attractive host material for application in integrated magnetoelectric energy conversion applications. PFN multiferroic materials are attractive for commercial electroceramics due to high value of dielectric permittivity and magnetoelectric coefficients as well as relatively easy synthesis process. However, synthesis of PFN ceramics is mostly connected with formation of the secondary unwanted pyrochlore phase associated with dramatic decrease of ferroelectric properties. The authors have successfully reduced this negative phenomenon by Mn doping and finally present high piezoelectric and magnetoelectric energy conversion efficiency in fabricated PMFN ceramics.

Site-selection studies for final disposal of spent fuel in Finland

International Nuclear Information System (INIS)

Vuorela, P.; Aeikaes, T.

1984-02-01

In the management of waste by the Industrial Power Company Ltd. (TVO) preparations are being made for the final disposal of unprocessed spent fuel into the Finnish bedrock. The site selection program will advance in three phases. The final disposal site must be made at the latest by the end of the year 2000, in accordance with a decision laid down by the Finnish Government. In the first phase, 1983-85, the main object is to find homogeneous stable bedrock blocks surrounded by fracture zones located at a safe distance from the planned disposal area. The work usually starts with a regional structural analysis of mosaics of Landsat-1 winter and summer imagery. Next an assortment of different maps, which cover the whole country, is used. Technical methods for geological and hydrogeological site investigations are being developed during the very first phase of the studies, and a borehole 1000 meters deep will be made in southwestern Finland. Studies for the final disposal of spent fuel or high-level reprocessing waste have been made since 1974 in Finland. General suitability studies of the bedrock have been going on since 1977. The present results indicate that suitable investigation areas for the final disposal of highly active waste can be found in Finland

Vacuum structure and QCD

International Nuclear Information System (INIS)

Gross, D.

1979-01-01

An overview of QCD is given, and some of the dynamical issues that arise in attempts to solve this theory are discussed. In particular, attention is focused on the problems that appear in attempts to discuss the structure of low-lying hadrons, e.g. nucleons, on the basis of a color gauge theory of quarks. The picture of hadronic structure developed by Callan, Dashen, and Gross is reviewed; this picture maintains that it presents the qualitative features of hadronic structure emerging in a direct way from first principles. Finally, the relevance of the emerging understanding of the structure of hadrons to the question of what hadronic matter (nuclear or quark matter) might look like at high densities is discussed

Systematic investigation of drip stains on apparel fabrics: The effects of prior-laundering, fibre content and fabric structure on final stain appearance.

Science.gov (United States)

de Castro, Therese C; Taylor, Michael C; Kieser, Jules A; Carr, Debra J; Duncan, W

2015-05-01

Bloodstain pattern analysis is the investigation of blood deposited at crime scenes and the interpretation of that pattern. The surface that the blood gets deposited onto could distort the appearance of the bloodstain. The interaction of blood and apparel fabrics is in its infancy, but the interaction of liquids and apparel fabrics has been well documented and investigated in the field of textile science (e.g. the processes of wetting and wicking of fluids on fibres, yarns and fabrics). A systematic study on the final appearance of drip stains on torso apparel fabrics (100% cotton plain woven, 100% polyester plain woven, blend of polyester and cotton plain woven and 100% cotton single jersey knit) that had been laundered for six, 26 and 52 cycles prior to testing was investigated in the paper. The relationship between drop velocity (1.66±0.50m/s, 4.07±0.03m/s, 5.34±0.18m/s) and the stain characteristics (parent stain area, axes 1 and 2 and number of satellite stains) for each fabric was examined using analysis of variance. The experimental design and effect of storing blood were investigated on a reference sample, which indicated that the day (up to five days) at which the drops were generated did not affect the bloodstain. The effect of prior-laundering (six, 26 and 52 laundering cycles), fibre content (cotton vs. polyester vs. blend) and fabric structure (plain woven vs. single jersey knit) on the final appearance of the bloodstain were investigated. Distortion in the bloodstains produced on non-laundered fabrics indicated the importance of laundering fabrics to remove finishing treatments before conducting bloodstain experiments. For laundered fabrics, both the cotton fabrics and the blend had a circular to oval stain appearance, while the polyester fabric had a circular appearance with evidence of spread along the warp and weft yarns, which resulted in square-like stains at the lowest drop velocity. A significant (pfibre content (pfibres/yarns, while for the

Nonlinear finite element analysis of concrete structures

International Nuclear Information System (INIS)

Ottosen, N.S.

1980-05-01

This report deals with nonlinear finite element analysis of concrete structures loaded in the short-term up until failure. A profound discussion of constitutive modelling on concrete is performed; a model, applicable for general stress states, is described and its predictions are compared with experimental data. This model is implemented in the AXIPLANE-program applicable for axisymmetrick and plane structures. The theoretical basis for this program is given. Using the AXIPLANE-program various concrete structures are analysed up until failure and compared with experimental evidence. These analyses include panels pressure vessel, beams failing in shear and finally a specific pull-out test, the Lok-Test, is considered. In these analyses, the influence of different failure criteria, aggregate interlock, dowel action, secondary cracking, magnitude of compressive strenght, magnitude of tensile strenght and of different post-failure behaviours of the concrete are evaluated. Moreover, it is shown that a suitable analysis of the theoretical data results in a clear insight into the physical behaviour of the considered structures. Finally, it is demonstrated that the AXISPLANE-program for widely different structures exhibiting very delicate structural aspects gives predictions that are in close agreement with experimental evidence. (author)

Structural Biology for A-Level Students

Science.gov (United States)

Philip, Judith

2013-01-01

The relationship between the structure and function of proteins is an important area in biochemistry. Pupils studying A-level Biology are introduced to the four levels of protein structure (primary, secondary, tertiary and quaternary) and how these can be used to describe the progressive folding of a chain of amino acid residues to a final,…

Localized structures and front propagation in the Lengyel-Epstein model

DEFF Research Database (Denmark)

Jensen, O.; Pannbacker, Viggo Ole; Mosekilde, Erik

1994-01-01

Pattern selection, localized structure formation, and front propagation are analyzed within the framework of a model for the chlorine dioxide-iodine-malonic acid reaction that represents a key to understanding recently obtained Turing structures. This model is distinguished from previously studied......, simple reaction-diffusion models by producing a strongly subcritical transition to stripes. The wave number for the modes of maximum linear gain is calculated and compared with the dominant wave number for the finally selected, stationary structures grown from the homogeneous steady state or developed...... bifurcation. In the subcritical regime there is an interval where the front velocity vanishes as a result of a pinning of the front to the underlying structure. In 2D, two different nucleation mechanisms for hexagonal structures are illustrated on the Lengyel-Epstein and the Brusselator model. Finally...

Novel Functionally Graded Thermal Barrier Coatings in Coal-Fired Power Plant Turbines

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jing [Indiana Univ., Indianapolis, IN (United States)

2016-11-01

This project presents a detailed investigation of a novel functionally graded coating material, pyrochlore oxide, for thermal barrier coating (TBC) in gas turbines used in coal-fired power plants. Thermal barrier coatings are refractory materials deposited on gas turbine components, which provide thermal protection for metallic components at operating conditions. The ultimate goal of this research is to develop a manufacturing process to produce the novel low thermal conductivity and high thermal stability pyrochlore oxide based coatings with improved high-temperature durability. The current standard TBC, yttria stabilized zirconia (YSZ), has service temperatures limited to <1200°C, due to sintering and phase transition at higher temperatures. In contrast, pyrochlore oxide, e.g., lanthanum zirconate (La₂Zr₂O₇, LZ), has demonstrated lower thermal conductivity and better thermal stability, which are crucial to high temperature applications, such as gas turbines used in coal-fired power plants. Indiana University – Purdue University Indianapolis (IUPUI) has collaborated with Praxair Surface Technologies (PST), and Changwon National University in South Korea to perform the proposed research. The research findings are critical to the extension of current TBCs to a broader range of high-temperature materials and applications. Several tasks were originally proposed and accomplished, with additional new opportunities identified during the course of the project. In this report, a description of the project tasks, the main findings and conclusions are given. A list of publications and presentations resulted from this research is listed in the Appendix at the end of the report.

Final report for NIF chamber dynamics studies. Final report (May 1997), Subcontract No. B291847

International Nuclear Information System (INIS)

Peterson, P.F.; Jin, H.; Scott, J.M.

1997-01-01

The National Ignition Facility (NIF), a 1.8 MJ, 192 laser beam facility, will have anticipated fusion yields of up to 20 MJ from D-T pellets encased in a gold hohlraum target. The energy emitted from the target in the form of x rays, neutrons, target debris kinetic energy, and target shrapnel will be contained in a 5 m. radius spherical target chamber. Various diagnostics will be stationed around the target at varying distances from the target. During each shot, the target will emit x rays that will vaporize nearby target facing surfaces including those of the diagnostics, the target positioner, and other chamber structures. This ablated vapor will be transported throughout the chamber, and will eventually condense and deposit on surfaces in the chamber, including the final optics debris shields. The research at the University of California at Berkeley relates primarily to the NIF chamber dynamics. The key design issues are the ablation of the chamber structures, transport of the vapor through the chamber and the condensation or deposition processes of those vaporized materials. An understanding of these processes is essential in developing a concept for protecting the final optics debris shields from an excessive coating (> 10 Angstrom) of target debris and ablated material, thereby prolonging their lifetime between change- outs. At Berkeley, we have studied the physical issues of the ablation process and the effects of varying materials, the condensation process of the vaporized material, and design schemes that can lower the threat posed to the debris shields by these processes. In addition to the work described briefly above, we performed extensive analysis of the target-chamber thermal response to in- chamber CO 2 Cleaning and of work performed to model the behavior of silica vapor. The work completed this year has been published in several papers and a dissertation -6 This report provides a summary of the work completed this year, as well as copies of

TARGET 2 and Settlement Finality

Directory of Open Access Journals (Sweden)

Ivan MANGATCHEV

2011-03-01

Full Text Available This article examines how TARGET 2 as system implements the idea of settlement finality regulated by Directive 98/26 EC of the European parliament and of the Council of 19 May 1998 on settlement finality in payment and securities settlement systems (Settlement Finality Directive and Directive 2009/44/EC of the European parliament and of the Council of 6 May 2009 amending Directive 98/26/EC on settlement finality in payment and securities settlement systems and Directive 2002/47/EC on financial collateral arrangements as regards linked systems and credit claims (Directive 2009/44/EC. As the title of the arti and finality of the settlement in this system.

The structure of algebraic problem in high schools

OpenAIRE

Chio, José Angel; Álvarez, Aida; Estrada, Pablo

2010-01-01

The paper is aimed at discussing the importance of pupil’s knowledge of algebraic problem structure. The research started by diagnosing pupil’s actual command of algebraic problem structure. Finally suggestions to teachers of mathematics for facing difficulties in solving problems are given.

Robustness Analysis of Timber Truss Structure

DEFF Research Database (Denmark)

Rajčić, Vlatka; Čizmar, Dean; Kirkegaard, Poul Henning

2010-01-01

The present paper discusses robustness of structures in general and the robustness requirements given in the codes. Robustness of timber structures is also an issues as this is closely related to Working group 3 (Robustness of systems) of the COST E55 project. Finally, an example of a robustness...... evaluation of a widespan timber truss structure is presented. This structure was built few years ago near Zagreb and has a span of 45m. Reliability analysis of the main members and the system is conducted and based on this a robustness analysis is preformed....

Synthesis and characterization of lead zirconate titanate powders obtained by the oxidant peroxo method

International Nuclear Information System (INIS)

Camargo, Emerson R.; Leite, Edson R.; Longo, Elson

2009-01-01

Lead zirconate titanate (PbZr 1-x Ti x O 3 ) was synthesized by the 'oxidant peroxo method (OPM)' with 'x' between 0.25 and 0.50. Titanium metal was dissolved into a hydrogen peroxide/ammonia aqueous solution, followed by the addition of lead and zirconium nitrate solution. The amorphous precipitated precursor obtained was crystallized by heat treatment between 400 and 1000 deg. C. Images of transmission microscopy showed spherical particles with average diameter between 20 and 60 nm, and the presence of necks between particles treated at 700 deg. C. All of the unpressed powders were characterized by X-ray diffractometry and FT-Raman spectroscopy. Powder samples with 'x' up to 0.35 showed rhombohedral structure when treated at temperatures higher than 500 deg. C, and tetragonal structure when 'x' was higher than 0.40. Analysis of XRD and Raman spectroscopy of the precursor powders showed amorphous-like structures, however powders treated at 400 deg. C showed a structure identified as an intermediate pyrochlore phase, independently of the Zr and Ti mole ratio

Structure problems in the analog computation; Problemes de structure dans le calcul analogique

Energy Technology Data Exchange (ETDEWEB)

Braffort, P.L. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1957-07-01

The recent mathematical development showed the importance of elementary structures (algebraic, topological, etc.) in abeyance under the great domains of classical analysis. Such structures in analog computation are put in evidence and possible development of applied mathematics are discussed. It also studied the topological structures of the standard representation of analog schemes such as additional triangles, integrators, phase inverters and functions generators. The analog method gives only the function of the variable: time, as results of its computations. But the course of computation, for systems including reactive circuits, introduces order structures which are called 'chronological'. Finally, it showed that the approximation methods of ordinary numerical and digital computation present the same structure as these analog computation. The structure analysis permits fruitful comparisons between the several domains of applied mathematics and suggests new important domains of application for analog method. (M.P.)

Structure problems in the analog computation; Problemes de structure dans le calcul analogique

Energy Technology Data Exchange (ETDEWEB)

Braffort, P L [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1957-07-01

The recent mathematical development showed the importance of elementary structures (algebraic, topological, etc.) in abeyance under the great domains of classical analysis. Such structures in analog computation are put in evidence and possible development of applied mathematics are discussed. It also studied the topological structures of the standard representation of analog schemes such as additional triangles, integrators, phase inverters and functions generators. The analog method gives only the function of the variable: time, as results of its computations. But the course of computation, for systems including reactive circuits, introduces order structures which are called 'chronological'. Finally, it showed that the approximation methods of ordinary numerical and digital computation present the same structure as these analog computation. The structure analysis permits fruitful comparisons between the several domains of applied mathematics and suggests new important domains of application for analog method. (M.P.)

A study on CCDTL structure

International Nuclear Information System (INIS)

Zhang Mutian; Xu Taoguang; Xu Wenwu; Zhou Linong

2002-01-01

The CCDTL (Coupled Cavity Drift Tube Linac) structure presented by Los Alamos Lab is a new structure for proton's velocity from 0.1 c to 0.5 c. The CCDTL aluminium and copper model are manufactured. The final OFHC (Oxygen Free High Conductivity) model consists of four accelerating cavities and three coupling cavities. There is only one drift tube in the accelerating cavity, so one accelerating cavity has two accelerating gaps. The model was made and tuned. The basic characteristics of the structure such as cavity frequency, dispersion curve, coupling, field profile are measured

Electronics for Piezoelectric Smart Structures

Science.gov (United States)

Warkentin, D. J.; Tani, J.

1997-01-01

This paper briefly presents work addressing some of the basic considerations for the electronic components used in smart structures incorporating piezoelectric elements. After general remarks on the application of piezoelectric elements to the problem of structural vibration control, three main topics are described. Work to date on the development of techniques for embedding electronic components within structural parts is presented, followed by a description of the power flow and dissipation requirements of those components. Finally current work on the development of electronic circuits for use in an 'active wall' for acoustic noise is introduced.

Er₂Ti₂O₇: Evidence of quantum order by disorder in a frustrated antiferromagnet

DEFF Research Database (Denmark)

Champion, J.D.M.; Harris, M.J.; Holdsworth, P.C.W.

2003-01-01

Er(2)Ti(2)O(7) has been suggested to be a realization of the frustrated XY pyrochlore lattice antiferromagnet, for which theory predicts fluctuation-induced symmetry breaking in a highly degenerate ground state manifold. We present a theoretical analysis of the classical model compared...

Cladding Alloys for Fluoride Salt Compatibility Final Report

Energy Technology Data Exchange (ETDEWEB)

Muralidharan, Govindarajan [ORNL; Wilson, Dane F [ORNL; Santella, Michael L [ORNL; Holcomb, David Eugene [ORNL

2011-05-01

This interim report provides an overview of several candidate technologies for cladding nickel-based corrosion protection layers onto high-temperature structural alloys. The report also provides a brief overview of the welding and weld performance issues associated with joining nickel-clad nickel-based alloys. From the available techniques, two cladding technologies were selected for initial evaluation. The first technique is a line-of-sight method that would be useful for coating large structures such as vessel interiors or large piping. The line-of-sight method is a laser-based surface cladding technique in which a high-purity nickel powder mixed into a polymer binder is first sprayed onto the surface, baked, and then rapidly melted using a high power laser. The second technique is a vapor phase technique based on the nickel-carbonyl process that is suitable for coating inaccessible surfaces such as the interior surfaces of heat exchangers. The final project report will feature an experimental evaluation of the performance of the two selected cladding techniques.

A Study on Salt Attack Protection of Structural and Finishing Materials in Power Plant Structures

Energy Technology Data Exchange (ETDEWEB)

Kim, W.B.; Kweon, K.J.; Suh, Y.P.; Nah, H.S.; Lee, K.J.; Park, D.S.; Jo, Y.K. [Korea Electric Power Research Institute, Taejeon (Korea, Republic of)

1997-12-31

This is a final report written by both KEPRI and KICT as a co-operative research titled {sup A} study on Salt Protection of Structural and Finishings in Power Plant Structures{sup .} This study presented the methods to prevent the chloride-induced corrosion of power plant structures through collection and analysis of research datum relating to design, construction and maintenance for the prevention of structural and finishing materials, thru material performance tests for anti-corrosion under many kinds of chloride-induced corrosion environments. As a result, this study proposed the guidelines for design, construction and maintenance of power plant structures due to chloride-induced corrosion. (author). 257 refs., 111 figs., 86 tabs.

A Study on Salt Attack Protection of Structural and Finishing Materials in Power Plant Structures

Energy Technology Data Exchange (ETDEWEB)

Kim, W B; Kweon, K J; Suh, Y P; Nah, H S; Lee, K J; Park, D S; Jo, Y K [Korea Electric Power Research Institute, Taejeon (Korea, Republic of)

1998-12-31

This is a final report written by both KEPRI and KICT as a co-operative research titled {sup A} study on Salt Protection of Structural and Finishings in Power Plant Structures{sup .} This study presented the methods to prevent the chloride-induced corrosion of power plant structures through collection and analysis of research datum relating to design, construction and maintenance for the prevention of structural and finishing materials, thru material performance tests for anti-corrosion under many kinds of chloride-induced corrosion environments. As a result, this study proposed the guidelines for design, construction and maintenance of power plant structures due to chloride-induced corrosion. (author). 257 refs., 111 figs., 86 tabs.

the customer at the final frontier of mass customization

DEFF Research Database (Denmark)

Svensson, Carsten; Jensen, Thomas

2002-01-01

, some of the factors influencing the use of this business paradigm are discussed and it is argued that the customer is the major limiting factor at the final frontier of mass customisation. Until recently mass customisation have mainly been turned towards the structural design of products, whereas...... this paper argues that there might be a need for an increased focus on the fulfilment of customer needs. As a result of this manufactures will have to hone the balance of trade-offs, as the paradigm of mass customisation becomes a commodity....

Feature-based motion control for near-repetitive structures

NARCIS (Netherlands)

Best, de J.J.T.H.

2011-01-01

In many manufacturing processes, production steps are carried out on repetitive structures which consist of identical features placed in a repetitive pattern. In the production of these repetitive structures one or more consecutive steps are carried out on the features to create the final product.

Los Angeles-Gateway Freight Advanced Traveler Information System : final system design and architecture for FRATIS prototype.

Science.gov (United States)

2013-05-01

This Final Architecture and Design report has been prepared to describe the structure and design of all the system : components for the LA-Gateway FRATIS Demonstration Project. More specifically, this document provides: : Detailed descriptions of...

Cesium incorporation in hollandite-rich multiphasic ceramic waste forms

Energy Technology Data Exchange (ETDEWEB)

Tumurugoti, P.; Clark, B.M. [Kazuo Inamori School of Engineering, The New York State College of Ceramics, Alfred University, Alfred, NY 14802 (United States); Edwards, D.J. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Amoroso, Jake [Savannah River National Laboratory, Aiken, SC 29808 (United States); Sundaram, S.K. [Kazuo Inamori School of Engineering, The New York State College of Ceramics, Alfred University, Alfred, NY 14802 (United States)

2017-02-15

Hollandite-rich multiphase waste form compositions processed by melt-solidification and spark plasma sintering (SPS) were characterized, compared, and validated for nuclear waste incorporation. Phase identification by x-ray diffraction (XRD) and electron back-scattered diffraction (EBSD) confirmed hollandite as the major phase present in these samples along with perovskite, pyrochlore and zirconolite. Distribution of selected elements observed by wavelength dispersive spectroscopy (WDS) maps indicated that Cs formed a secondary phase during SPS processing, which was considered undesirable. On the other hand, Cs partitioned into the hollandite phase in melt-processed samples. Further analysis of hollandite structure in melt-processed composition by selected area electron diffraction (SAED) revealed ordered arrangement of tunnel ions (Ba/Cs) and vacancies, suggesting efficient Cs incorporation into the lattice.

Attitudes towards a final repository for the spent nuclear fuel. Structure and causes; Attityd till slutfoervar av anvaent kaernbraensle. Struktur och orsaker

Energy Technology Data Exchange (ETDEWEB)

Sjoeberg, Lennart (Stockholm School of Economics (Sweden). Center for Risk Research)

2008-09-15

This report presents the results of a questionnaire survey of attitudes towards a final repository for the spent nuclear fuel. The questionnaire was mailed to 3,000 persons. Participants were young and older people in Oskarshamn municipality and Oesthammar municipality as well as in the rest of the country. Fifty-one percent responded. The questionnaire included a large number of questions of possible relevance for understanding the structure of and reasons for the person's attitude towards a final repository. Questions concerning nuclear power were dealt with in a special section. Men were more positively disposed towards a repository than women, older people more than young. The gender differences are mainly attributable to the variation in attitude towards nuclear power and concern about nuclear accidents. In the case of older people, interest was also a factor. Young people were not as interested in the issue. The most important factor in determining the attitude towards a final repository was the benefit it was expected to bring to the municipality. Moral and emotional aspects were also important. Risk played a relatively subordinate role. Social aspects were very important: those who frequently spoke with people who were positively disposed tended to be positive themselves, and vice versa for those who were negative. This factor could explain some of the gender differences in attitude. Attitudes in Oskarshamn were slightly more positive than in Oesthammar, probably due to the fact that the residents in Oskarshamn had a greater sense of participation in the municipality's decision in the matter. Information from SKB was also found to be an important factor for the differences in attitude between the municipalities. Eight percentage points more people had received information in Oskarshamn than in Oesthammar. The difference may be small, but it exists and does appear to be of some importance. Attitudes in Oskarshamn and Oesthammar continued to be much

Final report: ES11: The 23rd Annual Workshop on Electronic Structure Methods

Energy Technology Data Exchange (ETDEWEB)

Rappe, Andrew M. [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Chemistry

2011-08-31

ES11: the 23rd Annual Workshop on Electronic Structure Methods was held from June 6-9, 2011 at the University of Pennsylvania. The local organizing committee (see Section II) led by PI Andrew M. Rappe supervised the organization of the conference, before, during, and after the meeting itself. The national organizing committee set the technical program of talks, and provided support and advice in various ways. The conference was well-attended (see Section III). An important feature of this conference was a series of panel discussions (see Section IV) to discuss the field of electronic structure and to set new directions. The technical program was of extraordinarily high quality (see Section V). The host institution, the University of Pennsylvania, provided a supportive environment for this meeting (see Section VI).

Study on Human-structure Dynamic Interaction in Civil Engineering

Science.gov (United States)

Gao, Feng; Cao, Li Lin; Li, Xing Hua

2018-06-01

The research of human-structure dynamic interaction are reviewed. Firstly, the influence of the crowd load on structural dynamic characteristics is introduced and the advantages and disadvantages of different crowd load models are analyzed. Then, discussing the influence of structural vibration on the human-induced load, especially the influence of different stiffness structures on the crowd load. Finally, questions about human-structure interaction that require further study are presented.

Timber in Bridge Structures

OpenAIRE

Detkin, Viktoria

2016-01-01

The purpose of this final year project was to study the properties of timber as a structural material and the suitability of wood in load bearing members for bridge structures. For a case study, an existing timber bridge was selected. Due to its condition the bridge should be replaced. The design of a new bridge with steel beams holding a glulam deck was made. During the case study the replacement of steel beams by glulam timber ones was discussed. Some calculations were made in order to ...

Thermoelectric-Driven Liquid-Metal Plasma-Facing Structures (TELS) Final Report

Energy Technology Data Exchange (ETDEWEB)

Ruzic, David [Univ. of Illinois, Urbana-Champaign, IL (United States)

2016-12-17

The Thermoelectric-Driven Liquid-Metal Plasma-Facing Structures (TELS) project was able to establish the experimental conditions necessary for flowing liquid metal surfaces in order to be utilized as surfaces facing fusion relevant energetic plasma flux. The work has also addressed additional developments along with progressing along the timeline detailed in the proposal. A no-cost extension was requested to conduct other relevant experiment- specifically regarding the characterization droplet ejection during energetic plasma flux impact. A specially designed trench module, which could accommodate trenches with different aspect ratios was fabricated and installed in the TELS setup and plasma gun experiments were performed. Droplet ejection was characterized using high speed image acquisition and also surface mounted probes were used to characterize the plasma. The Gantt chart below had been provided with the original proposal, indicating the tasks to be performed in the third year of funding. These tasks are listed above in the progress report outline, and their progress status is detailed below.

Electronic structure of metal clusters

International Nuclear Information System (INIS)

Wertheim, G.K.

1989-01-01

Photoemission spectra of valence electrons in metal clusters, together with threshold ionization potential measurements, provide a coherent picture of the development of the electronic structure from the isolated atom to the large metallic cluster. An insulator-metal transition occurs at an intermediate cluster size, which serves to define the boundary between small and large clusters. Although the outer electrons may be delocalized over the entire cluster, a small cluster remains insulating until the density of states near the Fermi level exceeds 1/kT. In large clusters, with increasing cluster size, the band structure approaches that of the bulk metal. However, the bands remain significantly narrowed even in a 1000-atom cluster, giving an indication of the importance of long-range order. The core-electron binding-energy shifts of supported metal clusters depend on changes in the band structure in the initial state, as well as on various final-state effects, including changes in core hole screening and the coulomb energy of the final-state charge. For cluster supported on amorphous carbon, this macroscopic coulomb shift is often dominant, as evidenced by the parallel shifts of the core-electron binding energy and the Fermi edge. Auger data confirm that final-state effects dominate in cluster of Sn and some other metals. Surface atom core-level shifts provide a valuable guide to the contributions of initial-state changes in band structure to cluster core-electron binding energy shifts, especially for Au and Pt. The available data indicate that the shift observed in supported, metallic clusters arise largely from the charge left on the cluster by photoemission. As the metal-insulator transition is approached from above, metallic screening is suppressed and the shift is determined by the local environment. (orig.)

The structure of algebraic problem in high schools

Directory of Open Access Journals (Sweden)

Chio, José Angel

2010-01-01

Full Text Available The paper is aimed at discussing the importance of pupil’s knowledge of algebraic problem structure. The research started by diagnosing pupil’s actual command of algebraic problem structure. Finally suggestions to teachers of mathematics for facing difficulties in solving problems are given.

Flow-induced vibrations of circular cylindrical structures

International Nuclear Information System (INIS)

Chen, S.

1977-06-01

The problems of flow-induced vibrations of circular cylindrical structures are reviewed. First, the general method of analysis and classification of structural responses are presented. Then, the presentation is broken up along the lines with stationary fluid, parallel flow, and cross flow. Finally, design considerations and future research needs are pointed out. 234 references

75 FR 62133 - Notice of Availability of Final Environmental Assessment (FINAL EA) and a Finding of No...

Science.gov (United States)

2010-10-07

... Availability of Final Environmental Assessment (FINAL EA) and a Finding of No Significant Impact (FONSI) for... of No Significant Impact (FONSI) for Land Purchase, Access Road Construction and Access Tunnel... Impact (FONSI) based on the Final Environmental Assessment (FINAL EA) for Land Purchase, Access Road...

Structural decomposition analysis of Australia's greenhouse gas emissions

International Nuclear Information System (INIS)

Wood, Richard

2009-01-01

A complex system of production links our greenhouse gas emissions to our consumer demands. Whilst progress may be made in improving efficiency, other changes in the production structure may easily annul global improvements. Utilising a structural decomposition analysis, a comparative-static technique of input-output analysis, over a time period of around 30 years, net greenhouse emissions are decomposed in this study into the effects, due to changes in industrial efficiency, forward linkages, inter-industry structure, backward linkages, type of final demand, cause of final demand, population affluence, population size, and mix and level of exports. Historically, significant competing forces at both the whole of economy and industrial scale have been mitigating potential improvements. Key sectors and structural influences are identified that have historically shown the greatest potential for change, and would likely have the greatest net impact. Results clearly reinforce that the current dichotomy of growth and exports are the key problems in need of address.

14 CFR 1214.1105 - Final ranking.

Science.gov (United States)

2010-01-01

... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Final ranking. 1214.1105 Section 1214.1105... Recruitment and Selection Program § 1214.1105 Final ranking. Final rankings will be based on a combination of... preference will be included in this final ranking in accordance with applicable regulations. ...

Cladding and Structural Materials for Advanced Nuclear Energy Systems Final Report

International Nuclear Information System (INIS)

Was, G.S.; Allen, T.R.; Ila, D.; Levi, C.; Morgan, D.; Motta, A.; Wang, L.; Wirth, B.

2011-01-01

The goal of this consortium is to address key materials issues in the most promising advanced reactor concepts that have yet to be resolved or that are beyond the existing experience base of dose or burnup. The research program consists of three major thrusts: (1) high-dose radiation stability of advanced fast reactor fuel cladding alloys, (2) irradiation creep at high temperature, and (3) innovative cladding concepts embodying functionally-graded barrier materials. This NERI-Consortium final report represents the collective efforts of a large number of individuals over a period of three and a half years and included 9 PIs, 4 scientists, 3 post-docs and 12 students from the seven participating institutions and 8 partners from 5 national laboratories and 3 industrial institutions (see table). University participants met semi-annually and participants and partners met annually for meetings lasting 2-3 days and designed to disseminate and discuss results, update partners, address outstanding issues and maintain focus and direction toward achieving the objectives of the program. The participants felt that this was a highly successful program to address broader issues that can only be done by the assembly of a range of talent and capabilities at a more substantial funding level than the traditional NERI or NEUP grant. As evidence of the success, this group, collectively, has published 20 articles in archival journals and made 57 presentations at international conferences on the results of this consortium.

Design of passive piezoelectric damping for space structures. Final Report Ph.D. Thesis

Science.gov (United States)

Hagood, Nesbitt W., IV; Aldrich, Jack B.; Vonflotow, Andreas H.

1994-01-01

Passive damping of structural dynamics using piezoceramic electromechanical energy conversion and passive electrical networks is a relatively recent concept with little implementation experience base. This report describes an implementation case study, starting from conceptual design and technique selection, through detailed component design and testing to simulation on the structure to be damped. About 0.5kg. of piezoelectric material was employed to damp the ASTREX testbed, a 500kg structure. Emphasis was placed upon designing the damping to enable high bandwidth robust feedback control. Resistive piezoelectric shunting provided the necessary broadband damping. The piezoelectric element was incorporated into a mechanically-tuned vibration absorber in order to concentrate damping into the 30 to 40 Hz frequency modes at the rolloff region of the proposed compensator. A prototype of a steel flex-tensional motion amplification device was built and tested. The effective stiffness and damping of the flex-tensional device was experimentally verified. When six of these effective springs are placed in an orthogonal configuration, strain energy is absorbed from all six degrees of freedom of a 90kg. mass. A NASTRAN finite element model of the testbed was modified to include the six-spring damping system. An analytical model was developed for the spring in order to see how the flex-tensional device and piezoelectric dimensions effect the critical stress and strain energy distribution throughout the component. Simulation of the testbed demonstrated the damping levels achievable in the completed system.

Structural MRI in Autism Spectrum Disorder

OpenAIRE

Chen, Rong; Jiao, Yun; Herskovits, Edward H.

2011-01-01

Magnetic-resonance (MR) examination provides a powerful tool for investigating brain structural changes in children with Autism Spectrum Disorder (ASD). We review recent advances in the understanding of structural-MR correlates of ASD. We summarize findings from studies based on voxel-based morphometry, surface-based morphometry, and tensor-based morphometry, and diffusion-tensor imaging. Finally, we discuss diagnostic models of ASD, based on MR-derived features.

The environmental structure to the interior of the organization

International Nuclear Information System (INIS)

Angel Sanint, Enrique

1998-01-01

The tasks to perform by any area are presented for the two basic types of environmental structure within the organization, function oriented and process oriented - based on that classification, advantages and disadvantages are identified for both structures. Finally, some additional coordination mechanisms are proposed in order to make the process oriented structure more flexible

Orientation of rapid thermally annealed lead zirconate titanate thin films on (111) Pt substrate

International Nuclear Information System (INIS)

Brooks, K.G.; Reaney, I.M.; Klissurska, R.; Huang, Y.; Bursill, L.A.; Setter, N.

1994-01-01

The nucleation, growth and orientation of lead zirconate titanate thin films prepared from organometallic precursor solutions by spin coating on (111) oriented platinum substrates and crystallized by rapid thermal annealing was investigated. The effects of pyrolysis temperature, post-pyrolysis thermal treatments, excess lead addition, and Nb dopant substitution are reported. The use of post pyrolysis oxygen anneals at temperatures in the regime of 350-450 deg C was found to strongly effect the kinetics of subsequent amorphous-pyrochlore perovskite crystallization by rapid thermal annealing. It has also allowed films of reproducible microstructure and textures (both (100) and (111)) to be prepared by rapid thermal annealing. It is suggested that such anneals and pyrolysis temperature affect the oxygen concentration/average Pb valence in the amorphous films prior to annealing. The changes in Pb valence state then affect the stability of the transient pyrochlore phase and thus the kinetics of perovskite crystallization. Nb dopant was also found to influence the crystallization kinetics. 28 refs., 18 figs

Association of igneous phophate and uranium

International Nuclear Information System (INIS)

Loureiro, F.E.V.L.

1980-10-01

Data from Catalao permit some brief comments about the association of igneous phosphate and uranium, and on the possible economic importance of this type of mineralization in spite of the low grades of metals observed. Chemical and mineralogical analyses of carbonatites, phosphate ore and different phosphate concentrates, reveal the existence of important low-grade reserves of Th, Nb, Zr, U and La, and possibly of other metals such as V and Cu. Uranium is enriched 1.6 and 1.2 times, respectively, in the residual muds and flotation wastes produced at the processing plant of Goiasfertil operating in the area. The uranium is associated with two types of minerals, the first one comprised primarily of phosphates of the gorceixite group and secondarily of apatite and dahllite. THe second association is with pyrochlore, or rather barium-pyrochlore. Further investigations of similar occurences may define more clearly and specifically the various factors controlling the observed enrichment in heavy elements. (Author) [pt

Tariff structures for the transport of electricity

International Nuclear Information System (INIS)

Frenken, R.M.L.; Van de Water, C.J.

1995-01-01

Some possible tariff structures for electricity transport are discussed. First, the costs associated with the transport of electricity are explained. The fixed and variable costs of a transport are illustrated with some examples. Furthermore, the most common tariff structures (contract path, megawatt mile, postage stamp) and negotiated Third Party Access are discussed. Finally, the way the tariff structures reflect the costs of electricity transport are reviewed. 3 figs., 1 tab., 7 refs

Treatment and final disposal of nuclear waste. Siting of a deep repository

International Nuclear Information System (INIS)

1992-09-01

Systems and facilities in the program for demonstration deposition of nuclear waste are presented. The siting process is described, from the general studies to the ultimate goal, where a permit to start demonstration deposition has been obtained. National and foreign experiences of siting issues are accounted for. Finally, the structure and plan for work for 1993-98 are outlined. 46 refs, 15 figs, 5 tabs

78 FR 43912 - Final Candidate Conservation Agreement with Assurances, Final Environmental Assessment, and...

Science.gov (United States)

2013-07-22

...-FF02ENEH00] Final Candidate Conservation Agreement with Assurances, Final Environmental Assessment, and Finding of No Significant Impact; Rio Grande Cutthroat Trout, New Mexico and Colorado AGENCY: Fish and... environmental assessment (EA) and the draft Finding of No Significant Impact (FONSI) under the National...

Process for treatment of pyrochlore concentrates

International Nuclear Information System (INIS)

Charlot, G.

1976-01-01

A continuous process is described for extraction of niobium, rare earths and thorium from niobium ore concentrates which includes digesting the ore with a hot solution containing 13 to 16 moles of sulphuric acid per liter, diluting the solution to a concentration of 10 to 13 moles of sulphuric acid per liter, separating the insolubles from the solution which includes alkaline earth sulphates and the sulphates of thorium and rare earths that are present, reducing titanium in solution to the trivalent state and diluting the solution to a concentration of 5 to 7 moles of sulphuric acid per liter, separating the precipitated niobium oxide and sulphates of thorium and rare earths, and then concentrating the resulting solution to the level desired for recycle to the digestion stage. 10 Claims, No Drawings

Nuclear Structure Research at Richmond

International Nuclear Information System (INIS)

Beausang, Cornelius W.

2015-01-01

The goals for the final year were; (1) to continue ongoing efforts to develop and enhance GRETINA and work towards GRETA; (2) to investigate the structure of non-yrast states in shape transitional Sm and Gd nuclei; (3) to investigate the structure of selected light Cd nuclei; (4) to exploit the surrogate reaction technique to extract (n,f) cross sections for actinide nuclei, particularly the first measurement of the 236 Pu and 237 Pu(n,f) cross sections.

Final Report: Sampling-Based Algorithms for Estimating Structure in Big Data.

Energy Technology Data Exchange (ETDEWEB)

Matulef, Kevin Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-02-01

The purpose of this project was to develop sampling-based algorithms to discover hidden struc- ture in massive data sets. Inferring structure in large data sets is an increasingly common task in many critical national security applications. These data sets come from myriad sources, such as network traffic, sensor data, and data generated by large-scale simulations. They are often so large that traditional data mining techniques are time consuming or even infeasible. To address this problem, we focus on a class of algorithms that do not compute an exact answer, but instead use sampling to compute an approximate answer using fewer resources. The particular class of algorithms that we focus on are streaming algorithms , so called because they are designed to handle high-throughput streams of data. Streaming algorithms have only a small amount of working storage - much less than the size of the full data stream - so they must necessarily use sampling to approximate the correct answer. We present two results: * A streaming algorithm called HyperHeadTail , that estimates the degree distribution of a graph (i.e., the distribution of the number of connections for each node in a network). The degree distribution is a fundamental graph property, but prior work on estimating the degree distribution in a streaming setting was impractical for many real-world application. We improve upon prior work by developing an algorithm that can handle streams with repeated edges, and graph structures that evolve over time. * An algorithm for the task of maintaining a weighted subsample of items in a stream, when the items must be sampled according to their weight, and the weights are dynamically changing. To our knowledge, this is the first such algorithm designed for dynamically evolving weights. We expect it may be useful as a building block for other streaming algorithms on dynamic data sets.

Chemotoxic materials in a final repository for high-level radioactive wastes. CHEMOTOX concept for defence in depth concerning ground water protection from chemotoxic materials in a final high-level waste repository

International Nuclear Information System (INIS)

Alt, Stefan; Sailer, Michael; Schmidt, Gerhard; Herbert, Horst-Juergen; Krone, Juergen; Tholen, Marion

2009-01-01

The disposal of high-level radioactive wastes in a final repository includes chemotoxic materials. The chemotoxic materials are either part of the radioactive material or part of the packaging material, or the structures within the repository. In the frame of the licensing procedure it has to be demonstrated that no hazardous pollution of the ground water or other disadvantageous changes can occur. The report describes the common project of the Oeko-Institut e.V., the DBE Technology GmbH and the GRS mbH concerning the possible demonstration of a systematic protection of the groundwater against chemotoxic materials in case of a final high-level-radioactive waste repository in the host materials salt and clay stone.

Particle-induced amorphization of complex ceramics. Final report

International Nuclear Information System (INIS)

Ewing, R.C.; Wang, L.M.

1998-01-01

The crystalline-to-amorphous (c-a) phase transition is of fundamental importance. Particle irradiations provide an important, highly controlled means of investigating this phase transformation and the structure of the amorphous state. The interaction of heavy-particles with ceramics is complex because these materials have a wide range of structure types, complex compositions, and because chemical bonding is variable. Radiation damage and annealing can produce diverse results, but most commonly, single crystals become aperiodic or break down into a polycrystalline aggregate. The authors continued the studies of the transition from the periodic-to-aperiodic state in natural materials that have been damaged by α-recoil nuclei in the uranium and thorium decay series and in synthetic, analogous structures. The transition from the periodic to aperiodic state was followed by detailed x-ray diffraction analysis, in-situ irradiation/transmission electron microscopy, high resolution transmission electron microscopy, extended x-ray absorption fine structure spectroscopy/x-ray absorption near edge spectroscopy and other spectroscopic techniques. These studies were completed in conjunction with bulk irradiations that can be completed at Los Alamos National Laboratory or Sandia National Laboratories. Principal questions addressed in this research program included: (1) What is the process at the atomic level by which a ceramic material is transformed into a disordered or aperiodic state? (2) What are the controlling effects of structural topology, bond-type, dose rate, and irradiation temperature on the final state of the irradiated material? (3) What is the structure of the damaged material? (4) What are the mechanisms and kinetics for the annealing of interstitial and aggregate defects in these irradiated ceramic materials? (5) What general criteria may be applied to the prediction of amorphization in complex ceramics?

Structural and optical properties of solid-state synthesized Au dendritic structures

International Nuclear Information System (INIS)

Gentile, A.; Ruffino, F.; Romano, L.; Boninelli, S.; Reitano, R.; Piccitto, G.; Grimaldi, M.G.

2014-01-01

Graphical abstract: - Highlights: • Au dendritic structures were produced on surfaces. • The chemical and structural properties of the dendritic structures are presented. • The optical properties of the dendritic structures are presented. • The ability of the dendritic structures to serve as light scattering centers is presented. - Abstract: Au dendrites (Au Ds) are synthesized, on various substrates, by a simple physical methodology involving the deposition of a thin Au film on a Si surface followed by thermal processes at high temperatures (>1273 K) in an inert ambient (N 2 ), using fast heating and cooling rates (1273 K/min). Microscopic analyses reveal the evolution, thanks to the thermal processes, of the Au film from a continuous coating to dendritic structures covering the entire sample surface. In particular, transmission electron microscopy analyses indicate that, below the Au surface, the dendritic structures consist of Si atoms originating from the substrate. Furthermore, optical characterizations reveal the ability of the Au Ds to serve as scattering centers in the infrared region. Finally, on the basis of the experimental observations, a phenomenological model for the growth of the Au Ds is proposed

Can Morphing Methods Predict Intermediate Structures?

Science.gov (United States)

Weiss, Dahlia R.; Levitt, Michael

2009-01-01

Movement is crucial to the biological function of many proteins, yet crystallographic structures of proteins can give us only a static snapshot. The protein dynamics that are important to biological function often happen on a timescale that is unattainable through detailed simulation methods such as molecular dynamics as they often involve crossing high-energy barriers. To address this coarse-grained motion, several methods have been implemented as web servers in which a set of coordinates is usually linearly interpolated from an initial crystallographic structure to a final crystallographic structure. We present a new morphing method that does not extrapolate linearly and can therefore go around high-energy barriers and which can produce different trajectories between the same two starting points. In this work, we evaluate our method and other established coarse-grained methods according to an objective measure: how close a coarse-grained dynamics method comes to a crystallographically determined intermediate structure when calculating a trajectory between the initial and final crystal protein structure. We test this with a set of five proteins with at least three crystallographically determined on-pathway high-resolution intermediate structures from the Protein Data Bank. For simple hinging motions involving a small conformational change, segmentation of the protein into two rigid sections outperforms other more computationally involved methods. However, large-scale conformational change is best addressed using a nonlinear approach and we suggest that there is merit in further developing such methods. PMID:18996395

10 CFR 51.93 - Distribution of final environmental impact statement and supplement to final environmental impact...

Science.gov (United States)

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Distribution of final environmental impact statement and supplement to final environmental impact statement; news releases. 51.93 Section 51.93 Energy NUCLEAR... Environmental Impact Statements-General Requirements § 51.93 Distribution of final environmental impact...

Gradual failure of structures in creep conditions

International Nuclear Information System (INIS)

Chrzanowski, M.; Latus, P.

1993-01-01

The most characteristic feature of progressive material deterioration in creep conditions Is its time-dependence. In structures this process comprises of three stages: 1. Incubation of a macroscopic defect at the time of First Crack Appearance (FCA); 2. Propagation of a macro-crack throughout the structural member at the Time of Member Failure (TMF); 3. Propagation of failure of consecutive structure members, leading to the Final Structure Collapse (FSC). The importance of a full analysis of a structure which comprises all above stages has been demonstrated previously. Corresponding times are denoted as t 1 , t 2 , t 3 respectively. Depending on many factors, like material properties, loading and supports, the ratio of t 1 /t 2 and t 2 /t 3 may vary significantly, and thus exhibiting a safety margin connected with damage propagation throughout the structure. However, the full analysis becomes very sophisticated since creep and damage evolutions law are often nonlinear ones, and analysis should include changing geometry of a structure. It was was found that the failure propagation in analysed structures appeared to be very sensitive to structures geometry and loading. The time ratio t 1 /t 3 depends on redundancy k (higher the redundancy lower the ratio), but structures collapse by local mechanisms. These mechanisms can be different depending on k. More decisive than redundancy is an overall configuration of loads and structure geometry because of different mechanism of final failure. So far, no general conclusion can be drawn, but the whole analysis resembles that of limit analysis for structures made of ideally plastic or elastic-plastic materials. Nevertheless it Is evident that full analysis of structures in creep conditions can significantly enhance the structures life-time expectation

Cryogenic structural material and design of support structures for the Large Helical Device

International Nuclear Information System (INIS)

Nishimura, Arata; Imagawa, Shinsaku; Tamura, Hitoshi

1997-01-01

This paper describes a short history of material selection for the cryogenic support structures for the Large Helical Device (LHD) which has superconducting coils. Since the support structures are cooled down to 4.4 K together with the coils, SUS 316 was chosen because of its stable austenitic phase, sufficient mechanical properties at cryogenic temperature and good weldability. Also, outlines of the design and fabrication processes of the support structures are summarized. On the design of the support structures, a deformation analysis was carried out to maintain the proper magnetic field during operation. Afterwards, a stress analysis was performed. During machining and assembling, tolerance was noticed to keep coil positions accurate. Special welding grooves and fabrication processes were considered and achieved successfully. Finally, a cryogenic supporting post which sustains the cryogenic structures and superconducting coils is presented. CFRP was used in this specially developed supporting post to reduce the heat conduction from ambient 300 K structures. (author)

New structure for accelerating heavy ions; Une nouvelle structure acceleratrice d'ions lourds

Energy Technology Data Exchange (ETDEWEB)

Pottier, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-06-01

A new type of accelerating structure is described which is particular suited to heavy ions (high wavelength, high shunt impedance, small size). Its properties are analyzed and compared to those of other structures (more particularly the lines). It is shown that a mode of operation exists of which the shunt impedance in the station mode has 80 per cent of its value for the progressive mode. Finally results are given obtained with a small experimental apparatus which uses this structure. (author) [French] On decrit un nouveau type de structure acceleratrice, particulierement appropriee aux ions lourds (grande longueur d'onde, forte impedance-shunt, faibles dimensions). Ses proprietes sont analysees et comparees a celles d'autres structures (plus particulierement les lignes). On met en evidence un mode de fonctionnement pour lequel l'impedance shunt en regime stationnaire vaut 80 pour cent de l'impedance shunt en regime progressif. Enfin on decrit les resultats obtenus a l'aide d'une petite machine experimentale mettant en oeuvre cette structure. (auteur)

Analysis and design of SSC underground structures

International Nuclear Information System (INIS)

Clark, G.T.

1993-01-01

This paper describes the analysis and design of underground structures for the Superconducting Super Collider (SSC) Project. A brief overview of the SSC Project and the types of underground structures are presented. Engineering properties and non-linear behavior of the geologic materials are reviewed. The three-dimensional sequential finite element rock-structure interaction analysis techniques developed by the author are presented and discussed. Several examples of how the method works, specific advantages, and constraints are presented. Finally, the structural designs that resulted from the sequential interaction analysis are presented

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

Nd2Sn2O7 pyrochlores with the substitution of Zr4+ were prepared by conventional ceramic double sintering technique. The single-phase formation was confirmed by X-ray diffraction and neutron diffraction techniques. Relative intensity calculations for X-ray diffraction analysis were performed for oxygen positional ...

FINAL REPORT FOR THE DIII-D RADIATIVE DIVERTOR PROJECT

International Nuclear Information System (INIS)

O'NEIL, RC; STAMBAUGH, RD

2002-01-01

OAK A271 FINAL REPORT FOR THE DIII-D RADIATIVE DIVERTOR PROJECT. The Radiative Divertor Project originated in 1993 when the DIII-D Five Year Plan for the period 1994--1998 was prepared. The Project Information Sheet described the objective of the project as ''to demonstrate dispersal of divertor power by a factor of then with sufficient diagnostics and modeling to extend the results to ITER and TPX''. Key divertor components identified were: (1) Carbon-carbon and graphite armor tiles; (2) The divertor structure providing a gas baffle and cooling; and (3) The divertor cryopumps to pump fuel and impurities

Procedure for getting safety classed concrete structures approved by Finnish Radiation and Nuclear Safety Authority

International Nuclear Information System (INIS)

Halme, Ville-Juhani

2015-01-01

Posiva is preparing geological final disposal in the Finnish bedrock in Olkiluoto, Eurajoki. The final disposal facility includes encapsulation plant and underground repository. Most of the main civil structures are concrete structures. STUK is the supervising authority in civil structures. The National Building Code of Finland and STUK's Regulatory Guide on nuclear safety (YVL) are the most important instructions when constructing concrete structures into nuclear installation. Posiva has classified concrete structures in two classes according STUK's YVL-guidance: EYT (non-nuclear) and Safety Class 3 (SC 3, nuclear safety significance). When building SC 3 concrete structures, specific protocol must be followed. Protocol includes planned routines for design, construction, supervision, quality control (QC) and quality assurance (QA) activities. Documents relating concrete structures must be approved by Posiva and STUK before construction work. After structures have been designed and actual building is ongoing, there are two main steps. Before concreting, readiness inspection for concreting must be arranged. Readiness inspection will be arranged according to a specific plan and the date must be informed to STUK. After establishing readiness for concreting, casting work can begin. Once concrete structures are done, inspected and approved, final documentation according to a quality control plan will be reviewed by Posiva. After Posiva's approval, final documentation will be sent for STUK's approval. In the end STUK will give the permission for commissioning of the concrete structures after approved commissioning inspection. The document is made up of an abstract and a poster

Final Report

Energy Technology Data Exchange (ETDEWEB)

DeTar, Carleton [P.I.

2012-12-10

This document constitutes the Final Report for award DE-FC02-06ER41446 as required by the Office of Science. It summarizes accomplishments and provides copies of scientific publications with significant contribution from this award.

Carbon dioxide emission drivers for a typical metropolis using input–output structural decomposition analysis

International Nuclear Information System (INIS)

Wang, Yafei; Zhao, Hongyan; Li, Liying; Liu, Zhu; Liang, Sai

2013-01-01

As the capital of China, Beijing is regarded as a major metropolis in the world. Study of the variation in temporal CO 2 emissions generated by the driving forces in Beijing can provide guidance for policy decisions on CO 2 emissions mitigation in global metropolises. Based on input–output structural decomposition analysis (IO-SDA), we analysed the driving forces for the increment in CO 2 emissions in Beijing from both production and final demand perspectives during 1997–2010. According to our results, the CO 2 emission growth in Beijing is driven mainly by production structure change and population growth, partly offset by CO 2 emission intensity reduction as well as the decline in per capita final demand volume during the study period. Final demand structure change has a limited effect on the change in the CO 2 emissions in Beijing. From the final demand perspective, urban trades, urban residential consumption, government consumption and fixed capital formation are mainly responsible for the booming emissions. This study showed how the “top-down” IO-SDA methodology was implemented on a city scale. Policy implications from this study would be helpful for addressing CO 2 emissions mitigation in global capital cities and metropolises. - Highlights: • Changes in production structure and population are drivers of CO 2 increment. • Changes in CO 2 intensity and per capita GDP are forces to offset CO 2 increment. • Final demand structure change has limited effect on Beijing's CO 2 emission change. • Beijing's key final demand categories and economic sectors are identified. • Policy implications of Beijing's results are analyzed

Radiation damage and waste management options for the sombrero final focus system and neutron dumps

International Nuclear Information System (INIS)

Reyes, S.; Latkowski, J.F.; Meier, W.R.; Reyes, S.

2000-01-01

Previous studies of the safety and environmental aspects of the SOMBRERO inertial fusion energy (IFE) power plant design did not completely address the issues associated with the final focus system. While past work calculated neutron fluences for a grazing incidence metal mirror (GIMM) and a final focus mirror, scattering off of the final optical component was not included, and thus, fluences in the final focus mirror were significantly underestimated. In addition, past work did not consider neutron-induced gamma-rays. Finally, power plant lifetime waste volumes may have been underestimated as neutron activation of the neutron dumps and building structure were not addressed. In the present work, a modified version of the SOMBRERO target building is presented where a significantly larger open solid-angle fraction (5%) is used to enhance beam smoothing of a diode-pumped solid-state laser (DPSSL). The GIMMs are replaced with transmissive fused silica wedges and have been included in three-dimensional neutron and photon transport calculations. This work shows that a power plant with a large open solid-angle fraction, needed for beam smoothing with a DPSSL, is acceptable from tritium breeding, and neutron activation points-of-view. (authors)

Establishing the solubility and local structure(s) of Amorphous Calcium Carbonate (ACC): Toward an understanding of invertebrate biomineralization

Science.gov (United States)

Mergelsberg, S. T.; Ulrich, R. N.; Michel, F. M.; Dove, P. M.

2017-12-01

Recent advances in high-resolution imaging show the widespreadd occurrence of multistep pathways to mineralization in biological and geological settings (De Yoreo et al., 2015, Science). For example, carbonate biomineralization often involves precipitation of amorphous calcium carbonate (ACC) as a reactive intermediate that subsequently transforms to crystalline products with diverse structures. Although current carbonate mineral proxies are based upon the composition of final crystalline products, the final signatures may be recording the properties of the initial amorphous phase. Thus, it is critical to establish the physical properties of ACC and understand the factors that influence its evolution to final products at conditions that approximate biological environments. This disconnect limits our ability to build a process-based understanding of when/how minor and trace elements are recorded in mineral composition proxies. In this experimental study, we quantified the chemical and physical properties of ACC and its evolution to final products. We first determined ACC solubility under controlled chemical conditions using a new type of flow-through reactor developed by our research group (Blue and Dove, 2015, GCA; Blue et al., 2017, GCA). The experimental design varied Mg concentration and total alkalinity while maintaining a mild pH that approximates biological environments. ACC solubility was measured at specific time points during the precipitation (from super- and undersaturated conditions) and during its subsequent evolution. Parallel experiments characterized the structure of the corresponding amorphous products using in situ pair distribution function (PDF) and small-angle x-ray scattering (SAXS) analyses. The measurements demonstrate at least two types of ACC can be produced by tuning Mg concentration and alkalinity. Each "phase" exhibits distinct short-range ordering that demonstrates structure-specific solubility. We also find temporal changes in the

Space time manifolds and contact structures

Directory of Open Access Journals (Sweden)

K. L. Duggal

1990-01-01

Full Text Available A new class of contact manifolds (carring a global non-vanishing timelike vector field is introduced to establish a relation between spacetime manifolds and contact structures. We show that odd dimensional strongly causal (in particular, globally hyperbolic spacetimes can carry a regular contact structure. As examples, we present a causal spacetime with a non regular contact structure and a physical model [Gödel Universe] of Homogeneous contact manifold. Finally, we construct a model of 4-dimensional spacetime of general relativity as a contact CR-submanifold.

On elastic structural elements for nuclear reactors

International Nuclear Information System (INIS)

Povolo, F.

1978-03-01

The in-pile stress-relaxation behaviour of materials usually employed for the elastic structural elements, in nuclear reactors, is critically reviewed and the results are compared with those obtained in commercial zirconium alloys irradiated under similar conditions. Finally, it is shown that, under certain conditions, some zirconium alloys may be used as an alternative material for these structural elements. (orig.) [de

Structural dynamics

CERN Document Server

Strømmen, Einar N

2014-01-01

This book introduces to the theory of structural dynamics, with focus on civil engineering structures that may be described by line-like beam or beam-column type of systems, or by a system of rectangular plates. Throughout this book the mathematical presentation contains a classical analytical description as well as a description in a discrete finite element format, covering the mathematical development from basic assumptions to the final equations ready for practical dynamic response predictions. Solutions are presented in time domain as well as in frequency domain. Structural Dynamics starts off at a basic level and step by step brings the reader up to a level where the necessary safety considerations to wind or horizontal ground motion induced dynamic design problems can be performed. The special theory of the tuned mass damper has been given a comprehensive treatment, as this is a theory not fully covered elsewhere. For the same reason a chapter on the problem of moving loads on beams has been included.

Nuclear Structure Research at Richmond

Energy Technology Data Exchange (ETDEWEB)

Beausang, Cornelius W. [Univ. of Richmond, VA (United States)

2015-04-30

The goals for the final year were; (1) to continue ongoing efforts to develop and enhance GRETINA and work towards GRETA; (2) to investigate the structure of non-yrast states in shape transitional Sm and Gd nuclei; (3) to investigate the structure of selected light Cd nuclei; (4) to exploit the surrogate reaction technique to extract (n,f) cross sections for actinide nuclei, particularly the first measurement of the ²³⁶Pu and ²³⁷Pu(n,f) cross sections.

Trends in RF-structure research

International Nuclear Information System (INIS)

Henke, H.

1995-01-01

New trends in RF structure research are presented. The choice is limited to developments as they are required by the next generation of light sources, particle factories and linear colliders. Therefore, emphasis is put on the suppression of higher order modes either in standing or travelling wave resonators and on the development of superconducting cavities. Finally, a brand new development of very high frequency structures with planar geometry suited for fabrication by lithography is mentioned. copyright 1995 American Institute of Physics

Morphological studies at subchondral bone structures in human early arthrosis. Final report

International Nuclear Information System (INIS)

1992-01-01

Quantitative histomorphometric studies using an image analysis system were performed simultaneously on hyaline cartilage, calcified cartilage and subchondral cancellous bone of human tibial heads for detailed information about the pathogenesis of arthrosis. Joint structures need to be fully detected in three dimensions since measurement values are more affected by topographical aspects than by either age, or sex, or arthrosin stage. Mechanical factors were found to affect essentially the initiation and progression of arthrosis. Results are demonstrated in detail. (orig.) [de

Working group report on the structure of the proton

International Nuclear Information System (INIS)

Badelek, B.; Vogt, A.; Gehrmann, T.; Martin, A.D.; Lancaster, M.

1996-03-01

We summarize the developments on the structure of the proton that we studied at the Workshop on HERA physics that was held in Durham in September 1995. We survey the latest structure function data; we overview the QCD interpretations of the measurements of the structure functions and of final state processes; we discuss charm production and the spin properties of the proton. (orig.)

The influence of final state interaction on two-particle correlations in multiple production of particles and resonances

International Nuclear Information System (INIS)

Lednicky, R.; Lyuboshitz, V.L.

1996-01-01

The structure of pair correlations of interacting particles moving with nearby velocities is analysed. A general formalism of the two-particle space-time density matrix, taking into account the space-time coherence of the production process, is developed. The influence of strong final state interaction on two-particle correlations in the case of the production of a system resonance + particle is investigated in detail. It is shown that in the limit of small distances between the resonance and particle production points the effect of final state interaction is enhanced due to logarithmic singularity of the triangle diagram. Numerical estimates indicate that, in this limit, the effect of strong final state interaction becomes important even for two-pion correlations. (author)

Nuclear structure studies at intermediate energy. Final report, September 1992--May 1995

International Nuclear Information System (INIS)

Hintz, N.M.

1995-06-01

This constitutes a final report for a two-year grant ending 31 December, 1993, and an additional grant of $15,000 for the period 1 January 1993 to 30 September 1994. At the beginning of 1993 the group consisted of the Principal Investigator (N.H.), two full-time Research Associates (A.S. and V.S.), one part-time Research Associate (M.F.) and one graduate Research Assistant (D.M.). At present only the Principal Investigator in continuing. This report covers the period from September 1992 to April 1995. During this period experiment E 352, '' 208 Pb and 60 Ni (p,t) reaction at 120 MeV'' was completed at the Indiana University Cyclotron Facility (IUCF). A Ph.D. has been awarded (D.M.) on the basis of this work and LAMPF (Los Alamos Meson Physics Facility) E 1201, ''The 40 Ca, (p,2p) reaction at 800 MeV''. A paper on the 208 Pb (p,t) experiment is being prepared for publication, In addition, five papers by members of this group, and four with other collaborators have been published since our last report (September 1992). At present we have one approved experiment (E 1201 above) in the LAMPF cue, but it is unlikely that it will ever be scheduled

Competing degrees of freedom in nuclear structure theory. Final Report for 1999-2002

International Nuclear Information System (INIS)

Johnson, Calvin W.

2003-01-01

The central focus of this research was the interplay between three generic classes of degrees of freedom relevant to nuclear structure theory: single-particle degrees of freedom, collective degrees of freedom, and statistical degrees of freedom, which can be thought of as an incoherent mean field or a thermal bath

Radiophase development in hot-pressed alkoxide-derived titanate ceramics for nuclear waste stabilization

International Nuclear Information System (INIS)

Dickson, F.J.; Mitamura, H.; White, T.J.

1989-01-01

This paper reports phase development as a function of hot-pressing temperature studied in alkoxide-derived titanate-based ceramics doped with a 10 wt% loading of a sodium-rich (NAR) and a sodium-poor (NAP) simulated high-level waste. Pyrochlore was found to be the most abundant phase in both calcine powders. A pseudobrookite phase existed metastably at hot-pressing temperatures between 890 degrees and 920 degrees C. After hot-pressing at 1100 degrees C, the final phase assemblage for the NAP material consisted of zirconolite, hollandite-type, perovskite, alloy, and reduced rutile (Magneli phases). In addition, NAR samples contained hibonite, freudenbergite, and loveringite. Phase development was driven to completion over a very narrow temperature range (≤50 degrees C), beginning at 870 degrees and 850 degrees C for NAP and NAR, respectively, although full densification was not achieved below 1100 degrees C. Both waste forms exhibited comparable microstructure and aqueous durability

Revisiting drivers of energy intensity in China during 1997–2007: A structural decomposition analysis

International Nuclear Information System (INIS)

Zeng, Lin; Xu, Ming; Liang, Sai; Zeng, Siyu; Zhang, Tianzhu

2014-01-01

The decline of China's energy intensity slowed since 2000. During 2002–2005 it actually increased, reversing the long-term trend. Therefore, it is important to identify drivers of the fluctuation of energy intensity. We use input–output structural decomposition analysis to investigate the contributions of changes in energy mix, sectoral energy efficiency, production structure, final demand structure, and final demand category composition to China's energy intensity fluctuation during 1997–2007. We include household energy consumption in the study by closing the input–output model with respect to households. Results show that sectoral energy efficiency improvements contribute the most to the energy intensity decline during 1997–2007. The increase in China's energy intensity during 2002–2007 is instead explained by changes in final demand composition and production structure. Changes in final demand composition are mainly due to increasing share of exports, while changes in production structure mainly arise from the shift of Chinese economy to more energy-intensive industries. Changes in energy mix and final demand structure contribute little to China's energy intensity fluctuation. From the consumption perspective, growing exports of energy-intensive products and increasing infrastructure demands explain the majority of energy intensity increase during 2002–2007. - Highlights: • We analyzed energy intensity change from production and consumption perspectives. • We extended the research scope of energy intensity to cover household consumption. • Sectoral energy efficiency improvement contributed most to energy intensity decline. • Impact of production structure change on energy intensity varied at different times. • Growing export demand newly became main driver of China's energy intensity increase

Nature of the tensor order in Cd2Re2O7

Science.gov (United States)

Di Matteo, S.; Norman, M. R.

2017-09-01

The pyrochlore metal Cd2Re2O7 has been recently investigated by second-harmonic generation (SHG) reflectivity. In this paper, we develop a general formalism that allows for the identification of the relevant tensor components of the SHG from azimuthal scans. We demonstrate that the secondary order parameter identified by SHG at the structural phase transition is the x2-y2 component of the axial toroidal quadrupole. This differs from the 3 z2-r2 symmetry of the atomic displacements associated with the I 4 ¯m 2 crystal structure that was previously thought to be its origin. Within the same formalism, we suggest that the primary order parameter detected in the SHG experiment is the 3 z2-r2 component of the magnetic quadrupole. We discuss the general mechanism driving the phase transition in our proposed framework, and suggest experiments, particularly resonant x-ray scattering ones, that could clarify this issue.

In situ deposition of thallium-containing oxides

International Nuclear Information System (INIS)

Myers, K.E.

1996-01-01

The number and variety of thallium based materials that can be made by in situ methods have grown consistently since the first report of successful thallium cuprate deposition by Face and Nestlerode in 1992. Processes for the deposition of superconductors, normal metals, and insulators have been developed. Most work to date has been done on the Tl-1212 phases, TlBa 2 CaCu 2 O 7 and (Tl,Pb)Sr 2 CaCu 2 O 7 . Recently however, the in situ thallium technique has been extended to other materials. For example, epitaxial thin films of thallium tantalate, an insulator of the pyrochlore structure and a potential buffer layer for thallium cuprate films, have been grown. Multilayers, important in the fabrication of Josephson junctions, have been demonstrated with the thallium lead cuprates. This paper reviews progress in the area of in situ thallium deposition technology which will make more complex thallium cuprate multilayer structures and devices possible

Split Fermi Surfaces of the Spin-Orbit-Coupled Metal Cd2Re2O7 Probed by de Haas-van Alphen Effect

Science.gov (United States)

Matsubayashi, Yasuhito; Sugii, Kaori; Hirose, Hishiro T.; Hirai, Daigorou; Sugiura, Shiori; Terashima, Taichi; Uji, Shinya; Hiroi, Zenji

2018-05-01

The superconducting pyrochlore oxide Cd2Re2O7 shows a structural transition with inversion symmetry breaking (ISB) at Ts1 = 200 K. A recent theory [https://doi.org/10.1103/PhysRevLett.115.026401" xlink:type="simple">L. Fu, Phys. Rev. Lett. 115, 026401 (2015)] suggests that the origin is an electronic instability that leads to a multipolar order in the spin-orbit-coupled metal. To observe the Fermi surface of the low-temperature phase of Cd2Re2O7, we perform de Haas-van Alphen effect measurements by means of magnetic torque. In reference to a calculated band structure, the spin-split Fermi surfaces with large cyclotron masses of 5-9m0 are revealed. The splitting is suggested to be due to an antisymmetric spin-orbit coupling induced by ISB, the strength of which is estimated to be approximately 67 K, which is rather smaller than those of typical non-centrosymmetric metals.

Load-partitioning in an oxide dispersion-strengthened 310 steel at elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Miao, Yinbin; Mo, Kun; Zhou, Zhangjian; Liu, Xiang; Lan, Kuan-Che; Zhang, Guangming; Park, Jun-Sang; Almer, Jonathan; Stubbins, James F.

2016-12-01

Here the high temperature tensile performance of an oxide dispersion-strengthened (ODS) 310 steel is reported upon. The microstructure of the steel was examined through both transmission electron microscopy (TEM) and synchrotron scattering. In situ synchrotron tensile investigation was performed at a variety of temperatures, from room temperature up to 800°C. Pyrochlore structure yttrium titanate and sodium chloride structure titanium nitride phases were identified in the steel along with an austenite matrix and marginal residual α’-martensite. The inclusion phases strengthen the steel by taking extra load through particle-dislocation interaction during plastic deformation or dislocation creep procedures. As temperature rises, the load partitioning effect of conventional precipitate phases starts to diminish, whereas those ultra-fine oxygen-enriched nanoparticles continue to bear a considerable amount of extra load. Introduction of oxygen-enriched nanoparticles in austenitic steel proves to improve the high temperature performance, making austenitic ODS steels promising for advanced nuclear applications.

NAMBU STRUCTURES AND ASSOCIATED BIALGEBROIDS 1 ...

Indian Academy of Sciences (India)

65

on 3-ary operations, now known as Nambu mechanics. To outline the basic ...... Finally, we prove some results which are consequences of this structure. We begin with a ...... matics, 242, Birkhäuser Verlag, Basel, 2005. [10] P. Etingof and A.

Enhancement of nondestructive evaluation techniques for magnetic and nonmagnetic structural components (Final report for doctoral fellowship)

International Nuclear Information System (INIS)

Chen, Zhenmao

2000-03-01

In this report, research works performed in the Structural Safety Engineering Group of OEC/JNC are summarized as the final report of the doctoral fellowship. The main objective of this study is for the enhancement of the nondestructive evaluation techniques for structural components of both magnetic and nonmagnetic material. Studies in three topics have been carried out aiming at the quantitative evaluation of crack with the eddy current testing and the validation of a natural magnetic field based NDE method for detecting mechanical damages in a paramagnetic material. In the first part of the study, an approach to the reconstruction of the natural crack was proposed and implemented with an idealized crack model for its validation. In the second part, the correlation of the natural magnetization and the mechanical damages in the SUS304 stainless steel was investigated by using an experimental approach. In part 3, an inverse method of the measured magnetic fields is proposed for the reconstruction of magnetic charges in the inspected material by using an optimization method and wavelet. As the first work, an approach to the reconstruction of an idealized natural crack of non-vanishing conductivity is proposed with use of signals of eddy current testing. Two numerical models are introduced at first for modeling the natural crack in order to represented it with a set of crack parameters. A method for the rapid prediction of the eddy current testing signals coming from these idealized cracks is given then by extending a knowledge based fast forward solver to the case of a non-vanishing conductivity. Based on this fast forward solver, the inverse algorithm of conjugate gradient method is updated to identify the crack parameters. Several examples are presented finally as a validation of the proposed strategy. The results show that both the two numerical models can give reasonable reconstruction results for signal of low noise. The model concerning the touch of crack

Structure variations of carbonizing lignin

International Nuclear Information System (INIS)

Otani, C.; Polidoro, H.A.; Otani, S.; Craievich, A.F.

1984-01-01

The studied lignin is a by-product of the process of ethanol production from eucaliptus. It was heat-treated under inert atmosphere conditions at increasing temperatures from 300C up to 2400C. The structural variations were studied by wide-angle X-ray diffraction, small-angle X-ray scattering and infrared absorption spectroscopy. The bulk and 'real' density of the compacted materials have also been determined as functions of the final temperature. These experimental results enabled us to establish a mechanism of structure variation based on the formation of a turbostratic graphite-like and porous structure within the initially amorphous lignin matrix. (Author) [pt

Design, construction and conditions of the application of unreinforced concrete final lining in conventionally driven tunnels

Science.gov (United States)

Faltýnek, Jan; Hořejší, Jiří; Mařík, Libor; Růžička, Pavel

2017-09-01

The way to an economic design in the final lining in conventionally driven tunnels lies in structural analysing based on the actually encountered geotechnical conditions. Regarding reinforced concrete structures, many standards and regulations applicable to designing and building structures and taking them over by the client before their commissioning and before the end of the warranty period respectively exist in the Czech Republic. If the local conditions allow it, it is possible to design the final lining as an unreinforced concrete structure. In such a case it is necessary to take the differences into consideration in the structural design and in the possibilities of the lining behaviour and to set criteria for taking over the lining allowing for its use. Setting too stringent criteria for cracking can lead to an increase in the contract price, either because of the necessity for reinforcing the lining or because of the fact that the contractor reduces the risk by incorporating the assumed cost of repairs into the total cost. The paper describes basic differences in the approach to reinforced concrete and unreinforced concrete linings, the possibilities of limiting formation of cracks by means of the concrete mix design, by selection of the technological procedure of the work and the method of curing after stripping. The text contains a comparison of criteria for assessing the surface of an unreinforced concrete lining with criteria in foreign regulations.

Market Structure and Price Transmission of Eggs Commodity

Directory of Open Access Journals (Sweden)

Abdul Aziz Ahmad

2016-10-01

Full Text Available Purposes of this research are to determine some characteristics of distribution channel, market structure, and price maker transmission in purebred chicken egg commodity in Banyumas District, Central Java Province. Primary data applied on this research is from all channel distribution levels; from producers to final consumers. Meanwhile secondary data is collected from government official sources, such as BPS-Statistic of Banyumas Disrict, Banyumas Department of Industry, Trading and Cooperation, and previous researches which has been made by researcher team. Sample determining is directed by proportional random sampling methods. Some measurements are applied to this research, including to; Herfindahl Index (HI, Concentration Ratio (CF, and Minimum Efficiency Scale (MES to investigate market structure; and Asymmetric Price Transmission (APT to determine price transmission mechanism model. This research finds that (1 the distribution channel of egg commodity is spitted to different channel, the first channel: egg producer – retail traders – final consumers, and second channel: egg producers – whole seller – retail traders – final consumers; (2 market structure which is created to this farming specific commodity is perfect market; (3 price transmission mechanism analysis statistically shows that there is almost no existence of dominant power in price formation.

Statistical Inference on Memory Structure of Processes and Its Applications to Information Theory

Science.gov (United States)

2016-05-12

Distribution Unlimited UU UU UU UU 12-05-2016 15-May-2014 14-Feb-2015 Final Report: Statistical Inference on Memory Structure of Processes and Its Applications ...ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 mathematical statistics ; time series; Markov chains; random...journals: Final Report: Statistical Inference on Memory Structure of Processes and Its Applications to Information Theory Report Title Three areas

Final Report: Correctness Tools for Petascale Computing

Energy Technology Data Exchange (ETDEWEB)

Mellor-Crummey, John [Rice Univ., Houston, TX (United States)

2014-10-27

In the course of developing parallel programs for leadership computing systems, subtle programming errors often arise that are extremely difficult to diagnose without tools. To meet this challenge, University of Maryland, the University of Wisconsin—Madison, and Rice University worked to develop lightweight tools to help code developers pinpoint a variety of program correctness errors that plague parallel scientific codes. The aim of this project was to develop software tools that help diagnose program errors including memory leaks, memory access errors, round-off errors, and data races. Research at Rice University focused on developing algorithms and data structures to support efficient monitoring of multithreaded programs for memory access errors and data races. This is a final report about research and development work at Rice University as part of this project.

Self-propagating synthesis and aqueous durability of Nd-bearing zirconolite-rich composites using Ca(NO{sub 3}){sub 2} as the oxidant

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kuibao, E-mail: xiaobao320@163.com [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China); National Defense Key Discipline Lab of Nuclear Waste and Environmental Safety, Southwest University of Science and Technology, Mianyang 621010 (China); He, Shihong [State Nuclear Power Research Institute, Beijing 100029 (China); Yin, Dan; Peng, Le; Wu, Jingjun [State Key Laboratory Cultivation Base for Nonmetal Composite and Functional Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China)

2016-09-15

Synroc is recognized as the second-generation waste form for safety disposal of high-level radioactive waste (HLW). In this study, zirconolite-rich Synroc waste form was readily synthesized by self-propagating high-temperature plus quick pressing (SHS/QP) using Ca(NO{sub 3}){sub 2} as the oxidant and Ti as the reductant. As the surrogate of trivalent actinides, Nd{sub 2}O{sub 3} was introduced to equally substitute the Ca and Zr sites of zirconolite with nominal stoichiometry of Ca{sub 1−x}Zr{sub 1−x}Nd{sub 2x}Ti{sub 2}O{sub 7}. The results demonstrate that zirconolite, perovskite and pyrochlore (Ca{sub 2}Ti{sub 2}O{sub 6}) coexist as the ceramic components after SHS reaction. The introduction of Nd{sub 2}O{sub 3} promotes the formation of perovskite. Nd is mostly incorporated into the Ca sites of these phases. The normalized elemental leaching rates of Ca and Nd are fairly constant in low values of 1.80 × 10{sup −2} g m{sup −2} d{sup −1} and 6.12 × 10{sup −4} g m{sup −2} d{sup −1} after 42 days. - Highlights: • Zirconolite-rich composite was synthesized by SHS using Ca(NO{sub 3}){sub 2} as the oxidant. • Nd{sub 2}O{sub 3} was successfully immobilized into the crystal structure of this waste form. • Nd was mostly incorporated into the Ca sites of zirconolite, perovskite and pyrochlore. • The normalized leaching rates of Ca and Nd are in relatively low values.

Optimal reinforcing of reticular structures Optimal reinforcing of reticular structures

Directory of Open Access Journals (Sweden)

Juan Santiago Mejía

2006-12-01

Full Text Available This article presents an application of Genetic Algorithms (GA and Finite Element Analysis (FEA to solve a structural optimisation problem on reticular plastic structures. Structural optimisation is used to modify the original shape by placing reinforcements at optimum locations. As a result, a reduction in the maximum stress by 14,70% for a structure with a final volume increase of 8,36% was achieved. This procedure solves the structural optimisation problem by adjusting the original mold and thereby avoiding the re-construction of a new one.Este artículo presenta una aplicación de Algoritmos Genéticos (GA y Análisis por Elementos Finitos (FEA a la solución de un problema de optimización estructural en estructuras reticulares plásticas. Optimización estructurales usada para modificar la forma original colocando refuerzos en posiciones óptimas. Como resultado se obtuvo una reducción en el esfuerzo máximo de 14,70% para una estructura cuyo volumen original aumento en 8,36%. Este procedimiento soluciona el problema de optimización estructural ajustando el molde original y evitando la manufactura de un nuevo molde.

Universal properties of strongly frustrated quantum magnets in high magnetic fields

International Nuclear Information System (INIS)

Richter, J.

2007-01-01

For a class of frustrated antiferromagnetic spin systems including e.g. the 1D saw tooth chain, the 2D kagom'e and checkerboard, the 3D pyrochlore lattices exact eigenstates consisting of several independent localized magnons in a ferromagnetic environment can be constructed. Important structural elements of the relevant systems are triangles being attached to polygons or lines. Then the magnons can be trapped on these polygons/lines. If the concentration of localized magnons is small they can be distributed randomly over the lattice. Increasing the number of localized magnons their distribution over the lattice becomes more regular and finally the magnons condensate in a crystal-like state. The physical relevance of these eigenstates emerges in high magnetic fields where they become ground states of the system. The spin systems having localized-magnon eigenstates exhibit universal features at low-temperatures in the vicinity of the saturation field: (i) The ground-state magnetization exhibits a macroscopic jump to saturation. This jump is accompanied by a preceding plateau (ii) The ground state at the saturation field is highly degenerate. The degeneracy grows exponentially with the system size and leads to a low-temperature maximum in the isothermal entropy versus field curve at the saturation field and to an enhanced magnetocaloric effect, which allows efficient magnetic cooling from quite large temperatures down to very low ones. (iii) By mapping the localized magnon spin degrees of freedom on a hard-core lattice gas one can find explicit analytical universal expressions for the low-temperature thermodynamics near saturation field. (iv) The magnetic system may exhibit a field-tuned structural instability in the vicinity of the saturation field. (author)

5 CFR 1216.206 - Final determination.

Science.gov (United States)

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Final determination. 1216.206 Section... PROCEEDINGS Demands or Requests for Testimony and Production of Documents § 1216.206 Final determination. The General Counsel makes the final determination on demands to requests to employees for production of...

45 CFR 150.219 - Final determination.

Science.gov (United States)

2010-10-01

... 45 Public Welfare 1 2010-10-01 2010-10-01 false Final determination. 150.219 Section 150.219... Are Failing To Substantially Enforce HIPAA Requirements § 150.219 Final determination. If, after... the State a written notice of its final determination. The notice includes the following: (a...

A Superstrong Adjustable Permanent Magnet for the Final Focus Quadrupole in a Linear Collider

International Nuclear Information System (INIS)

Mihara, T.

2004-01-01

A super strong permanent magnet quadrupole (PMQ) was fabricated and tested. It has an integrated strength of 28.5T with overall length of 10 cm and a 7mm bore radius. The final focus quadrupole of a linear collider needs a variable focal length. This can be obtained by slicing the magnet into pieces along the beamline direction and rotating these slices. But this technique may lead to movement of the magnetic center and introduction of a skew quadrupole component when the strength is varied. A ''double ring structure'' can ease these effects. A second prototype PMQ, containing thermal compensation materials and with a double ring structure, has been fabricated. Worm gear is selected as the mechanical rotating scheme because the double ring structure needs a large torque to rotate magnets. The structure of the second prototype PMQ is shown

Reliability Based Ship Structural Design

DEFF Research Database (Denmark)

Dogliani, M.; Østergaard, C.; Parmentier, G.

1996-01-01

This paper deals with the development of different methods that allow the reliability-based design of ship structures to be transferred from the area of research to the systematic application in current design. It summarises the achievements of a three-year collaborative research project dealing...... with developments of models of load effects and of structural collapse adopted in reliability formulations which aim at calibrating partial safety factors for ship structural design. New probabilistic models of still-water load effects are developed both for tankers and for containerships. New results are presented...... structure of several tankers and containerships. The results of the reliability analysis were the basis for the definition of a target safety level which was used to asses the partial safety factors suitable for in a new design rules format to be adopted in modern ship structural design. Finally...

78 FR 69817 - Polyethylene Retail Carrier Bags From Thailand: Final Court Decision and Amended Final Results of...

Science.gov (United States)

2013-11-21

... Bags From Thailand: Final Court Decision and Amended Final Results of Administrative Review of the..., which recalculated the weighted-average duty margin for polyethylene retail carrier bags (PRCBs) from... Packaging at the CIT. \\2\\ See Polyethylene Retail Carrier Bags from Thailand: Final Results and Partial...

Analysis of time-dependent reliability of degenerated reinforced concrete structure

Directory of Open Access Journals (Sweden)

Zhang Hongping

2016-07-01

Full Text Available Durability deterioration of structure is a highly random process. The maintenance of degenerated structure involves the calculation of the reliability of time-dependent structure. This study introduced reinforced concrete structure resistance decrease model and related statistical parameters of uncertainty, analyzed resistance decrease rules of corroded bending element of reinforced concrete structure, and finally calculated timedependent reliability of the corroded bending element of reinforced concrete structure, aiming to provide a specific theoretical basis for the application of time-dependent reliability theory.

Final Report

DEFF Research Database (Denmark)

Heiselberg, Per; Brohus, Henrik; Nielsen, Peter V.

This final report for the Hybrid Ventilation Centre at Aalborg University describes the activities and research achievement in the project period from August 2001 to August 2006. The report summarises the work performed and the results achieved with reference to articles and reports published...

Formation of secondary phases during deep geological final disposal of research reactor fuel elements. Structure and phase analysis

International Nuclear Information System (INIS)

Neumann, Andreas

2012-01-01

For the assessment of a confident und sustainable final disposal of high level radioactive waste - fuel elements of german research reactors also account for such waste - in suitable, deep geological facilities, processes of the alteration of the disposed of waste and therefore the formation of the corrosion products, i. e. secondary phases must be well understood considering an accident scenario of a potential water inflow. In order to obtain secondary phases non-irradiated research reactor fuel elements (FR-BE) consisting of UAl x -Al were subjected to magnesium chloride rich brine (brine 2, salt repository) and to clay pore solution, respectively and furthermore of the type U 3 Si 2 -Al were solely subjected to magnesium chloride rich brine. Considering environmental aspects of final repositories the test conditions of the corrosion experiments were adjusted in a way that the temperature was kept constant at 90 C and a reducing anaerobic environment was ensured. As major objective of this research secondary phases, obtained from the autoclave experiments after appropriate processing and grain size separation have been identified and quantified. Powder X-ray diffraction (PXRD) and the application of Rietveld refinement methods allowed the identification of the corrosion products and a quantitative assessment of crystalline and amorphous contents. Scanning and transmission electron microscopy were additionally applied as a complementary method for the characterisation of the secondary phases. The qualitative phase analysis of the preprocessed secondary phases of the systems UAl x -Al and U 3 Si 2 -Al in brine 2 shows many similarities. Lesukite - an aluminium chloro hydrate - was observed for the first time considering the given experimental conditions. Further on different layered structures of the LDH type, iron oxyhydroxide and possibly iron chlorides, uncorroded residues of nuclear fuel and elementary iron were identified as well. Depending on preceding

11 CFR 9409.9 - Final determination.

Science.gov (United States)

2010-01-01

... 11 Federal Elections 1 2010-01-01 2010-01-01 false Final determination. 9409.9 Section 9409.9... INFORMATION AND PRODUCTION OF OFFICIAL RECORDS IN LEGAL PROCEEDINGS § 9409.9 Final determination. The General Counsel will make the final determination on demands and requests to employees for production of official...

48 CFR 32.605 - Final decisions.

Science.gov (United States)

2010-10-01

... REQUIREMENTS CONTRACT FINANCING Contract Debts 32.605 Final decisions. (a) The contracting officer shall issue a final decision as required by 33.211 if— (1) The contracting officer and the contractor are unable... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Final decisions. 32.605...