WorldWideScience

Sample records for real crystalline structure

  1. Crystalline structure of metals

    International Nuclear Information System (INIS)

    Holas, A.

    1972-01-01

    An attempt is made to find the crystalline structure of metals on the basis of the existing theory of metals. The considerations are limited to the case of free crystals, that is, not subjected to any stresses and with T=0. The energy of the crystal lattice has been defined and the dependence of each term on structures and other properties of metals has been described. The energy has been used to find the values of crystalline structure parameters as the values at which the energy has an absolute minimum. The stability of the structure has been considered in cases of volume changes and shearing deformations. A semiqualitative description has been obtained which explains characteristic properties of one-electron metals. (S.B.)

  2. Soliton structure in crystalline acetanilide

    International Nuclear Information System (INIS)

    Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

    1984-01-01

    The theory of self-trapping of amide I vibrational energy in crystalline acetanilide is studied in detail. A spectrum of stationary, self-trapped (soliton) solutions is determined and tested for dynamic stability. Only those solutions for which the amide I energy is concentrated near a single molecule were found to be stable. Exciton modes were found to be unstable to decay into solitons

  3. Quasi-crystalline geometry for architectural structures

    DEFF Research Database (Denmark)

    Wester, Ture; Weinzieri, Barbara

    The quasi-crystal (QC) type of material was discovered in 1983 by Dan Schechtman from Technion, Haifa. This new crystalline structure of material broke totally with the traditional conception of crystals and geometry introducing non-periodic close packing of cells with fivefold symmetry in 3D space....... The quasi-crystal geometry can be constructed from two different cubic cells with identical rhombic facets, where the relation between the diagonals is the golden section. All cells have identical rhombic faces, identical edges and identical icosahedral/dodecahedral nodes....

  4. Quasi-crystalline geometry for architectural structures

    DEFF Research Database (Denmark)

    Weizierl, Barbara; Wester, Ture

    2001-01-01

    Artikel på CD-Rom 8 sider. The quasi-crystal (QC) type of material was discovered in 1983 by Dan Schechtman from Technion, Haifa. This new crystalline structure of material broke totally with the traditional conception of crystals and geometry introducing non-periodic close packing of cells...... with fivefold symmetry in 3D space. The quasi-crystal geometry can be constructed from two different cubic cells with identical rhombic facets, where the relation between the diagonals is the golden section. All cells have identical rhombic faces, identical edges and identical icosahedral/dedecahedral nodes....... The purpose of the paper is to investigate some possibilities for the application of Quasi-Crystal geometry for structures in architecture. The basis for the investigations is A: to use the Golden Cubes (the two different hexahedra consisting of rhombic facets where the length of the diagonals has the Golden...

  5. Characterization of crystalline structures in Opuntia ficus-indica

    OpenAIRE

    Contreras-Padilla, Margarita; Rivera-Muñoz, Eric M.; Gutiérrez-Cortez, Elsa; del López, Alicia Real; Rodríguez-García, Mario Enrique

    2014-01-01

    This research studies the crystalline compounds present in nopal (Opuntia ficus-indica) cladodes. The identification of the crystalline structures was performed using X-ray diffraction, scanning electron microscopy, mass spectrometry, and Fourier transform infrared spectroscopy. The crystalline structures identified were calcium carbonate (calcite) [CaCO3], calcium-magnesium bicarbonate [CaMg(CO3)2], magnesium oxide [MgO], calcium oxalate monohydrate [Ca(C2O4)•(H2O)], potassium peroxydiphosph...

  6. Structural Analysis of Aromatic Liquid Crystalline Polyesters

    Directory of Open Access Journals (Sweden)

    Arpad Somogyi

    2011-01-01

    Full Text Available Laboratory preparations of liquid crystalline prepolymers, distillates accompanying prepolymers, final polymers, and sublimates accompanying final polymers were examined. NaOD/D2O depolymerization of prepolymers and polymers back to monomers with integration of the 1H NMR spectra showed up to 6% excess of carboxyls over phenol groups, caused partly by loss of the low-boiling comonomer hydroquinone through distillation during prepolymerization and leaving anhydride units in the polymer chain. ESI− MS and MS/MS of hexafluoroisopropanol extracts of the prepolymer detected small molecules including some containing anhydride groups; ESI+ MS showed the presence of small cyclic oligomers. 1H NMR (including TOCSY spectra provided more quantitative analyses of these oligomers. The final polymerization increases the length of the polymer chains and sublimes out the small oligomers. Anhydride linkages remaining in the polymer must make LCP’s more susceptible to degradation by nucleophilic reagents such as water, alkalis, and amines.

  7. Nanomembrane structures having mixed crystalline orientations and compositions

    Science.gov (United States)

    Lagally, Max G.; Scott, Shelley A.; Savage, Donald E.

    2014-08-12

    The present nanomembrane structures include a multilayer film comprising a single-crystalline layer of semiconductor material disposed between two other single-crystalline layers of semiconductor material. A plurality of holes extending through the nanomembrane are at least partially, and preferably entirely, filled with a filler material which is also a semiconductor, but which differs from the nanomembrane semiconductor materials in composition, crystal orientation, or both.

  8. Effects of grinding on certain crystalline structures

    International Nuclear Information System (INIS)

    Tekiz, Y.

    1965-06-01

    The effects of grinding on certain crystalline substances (ZnO, ZnS, Sb), have been studied using X-ray diffraction and electron microscopy. The treatments were carried out using a vibrating mill which involves a higher energy than more conventional equipment such as ball-mills. Various methods have been proposed for determining the width of the intrinsic profile (β). In the case of zinc oxide it has been shown possible to differentiate the respective contributions of the fragmentation effects and of lattice deformation effects to the overall effects of the grinding. For the two types of zinc sulfide (blend and Wurtzite) it has been shown that the blend-wurtzite) transition point is very much decreased, and that the rate of transformation of wurtzite into the stable form (blend) at room temperature is considerably increased by the grinding. In the case of antimony, the method of fragmentation shows the existence of an anisotropy which appears to be connected with easily cleavable planes. These observations show that in the case of grinding carried out with sufficient energy, the accumulation of this energy in the matter through the creation of lattice defects can accelerate the reaction rate or bring about physical transformations. (author) [fr

  9. Effects of irradiation on structural properties of crystalline ceramics

    International Nuclear Information System (INIS)

    Clinard, F.W. Jr.; Hurley, G.F.

    1979-01-01

    Stability of crystalline ceramic nuclear waste may be degraded by self-irradiation damage. Changes in density, strength, thermal conductivity, and lattice structure are of concern. Structural damage of ceramics under various radiation conditions is discussed and related to possible effects in nuclear waste

  10. Effects of irradiation on structural properties of crystalline ceramics

    International Nuclear Information System (INIS)

    Clinard, F.W. Jr.; Hurley, G.F.

    1979-01-01

    Stability of crystalline ceramic nuclear waste may be degraded by self-irradiation damage. Changes in density, strength, thermal conductivity, and lattice structure are of concern. In this paper, structural damage of ceramics under various radiation conditions is discussed and related to possible effects in nuclear waste

  11. Crystalline mesoporous zirconia catalysts having stable tetragonal pore wall structure

    Science.gov (United States)

    Sachtler, W.M.H.; Huang, Y.Y.

    1998-07-28

    Methods are disclosed for the preparation of new sulfated mesoporous zirconia materials/catalysts with crystalline pore walls of predominantly tetragonal crystal structure, characterized by nitrogen physical sorption measurement, X-ray diffraction, transmission electron microscopy and catalytic tests using n-butane isomerization to iso-butane and alkylation of 1-naphthol with 4-tert-butylstyrene as probe reactions. Sulfate deposition is preferred for the transformation of a mesoporous precursor with amorphous pore walls into a material with crystalline pore walls maintaining the mesoporous characteristics. 17 figs.

  12. Characterization of crystalline structures in Opuntia ficus-indica.

    Science.gov (United States)

    Contreras-Padilla, Margarita; Rivera-Muñoz, Eric M; Gutiérrez-Cortez, Elsa; del López, Alicia Real; Rodríguez-García, Mario Enrique

    2015-01-01

    This research studies the crystalline compounds present in nopal (Opuntia ficus-indica) cladodes. The identification of the crystalline structures was performed using X-ray diffraction, scanning electron microscopy, mass spectrometry, and Fourier transform infrared spectroscopy. The crystalline structures identified were calcium carbonate (calcite) [CaCO3], calcium-magnesium bicarbonate [CaMg(CO3)2], magnesium oxide [MgO], calcium oxalate monohydrate [Ca(C2O4)•(H2O)], potassium peroxydiphosphate [K4P2O8] and potassium chloride [KCl]. The SEM images indicate that calcite crystals grow to dipyramidal, octahedral-like, prismatic, and flower-like structures; meanwhile, calcium-magnesium bicarbonate structures show rhombohedral exfoliation and calcium oxalate monohydrate is present in a drusenoid morphology. These calcium carbonate compounds have a great importance for humans because their bioavailability. This is the first report about the identification and structural analysis of calcium carbonate and calcium-magnesium bicarbonate in nopal cladodes, as well as the presence of magnesium oxide, potassium peroxydiphosphate and potassium chloride in these plants. The significance of the study of the inorganic components of these cactus plants is related with the increasing interest in the potential use of Opuntia as a raw material of products for the food, pharmaceutical, and cosmetic industries.

  13. Dynamical structure analysis of crystalline-state reaction and elucidation of chemical reactivity in crystalline environment

    International Nuclear Information System (INIS)

    Ohashi, Yuji

    2010-01-01

    It was found that a chiral alkyl group bonded to the cobalt atom in a cobalt complex crystal was racemized with retention of the single crystal form on exposure to visible light. Such reactions, which are called crystalline-state reactions, have been found in a variety of cobalt complex crystals. The concept of reaction cavity was introduced to explain the reaction rate quantitatively and the chirality of the photo-product. The new diffractometers and detectors were made for rapid data collection. The reaction mechanism was also elucidated using neutron diffraction analysis. The unstable reaction intermediates were analyzed using cryo-trapping method. The excited-state structures were obtained at the equilibrium state between ground and excited states. (author)

  14. Novel Insights into the Proteus mirabilis Crystalline Biofilm Using Real-Time Imaging.

    Directory of Open Access Journals (Sweden)

    Sandra A Wilks

    Full Text Available The long-term use of indwelling catheters results in a high risk from urinary tract infections (UTI and blockage. Blockages often occur from crystalline deposits, formed as the pH rises due to the action of urease-producing bacteria; the most commonly found species being Proteus mirabilis. These crystalline biofilms have been found to develop on all catheter materials with P. mirabilis attaching to all surfaces and forming encrustations. Previous studies have mainly relied on electron microscopy to describe this process but there remains a lack of understanding into the stages of biofilm formation. Using an advanced light microscopy technique, episcopic differential interference contrast (EDIC microscopy combined with epifluorescence (EF, we describe a non-destructive, non-contact, real-time imaging method used to track all stages of biofilm development from initial single cell attachment to complex crystalline biofilm formation. Using a simple six-well plate system, attachment of P. mirabilis (in artificial urine to sections of silicone and hydrogel latex catheters was tracked over time (up to 24 days. Using EDIC and EF we show how initial attachment occurred in less than 1 h following exposure to P. mirabilis. This was rapidly followed by an accumulation of an additional material (indicated to be carbohydrate based using lectin staining and the presence of highly elongated, motile cells. After 24 h exposure, a layer developed above this conditioning film and within 4 days the entire surface (of both catheter materials was covered with diffuse crystalline deposits with defined crystals embedded. Using three-dimensional image reconstruction software, cells of P. mirabilis were seen covering the crystal surfaces. EDIC microscopy could resolve these four components of the complex crystalline biofilm and the close relationship between P. mirabilis and the crystals. This real-time imaging technique permits study of this complex biofilm development

  15. Novel Insights into the Proteus mirabilis Crystalline Biofilm Using Real-Time Imaging.

    Science.gov (United States)

    Wilks, Sandra A; Fader, Mandy J; Keevil, C William

    2015-01-01

    The long-term use of indwelling catheters results in a high risk from urinary tract infections (UTI) and blockage. Blockages often occur from crystalline deposits, formed as the pH rises due to the action of urease-producing bacteria; the most commonly found species being Proteus mirabilis. These crystalline biofilms have been found to develop on all catheter materials with P. mirabilis attaching to all surfaces and forming encrustations. Previous studies have mainly relied on electron microscopy to describe this process but there remains a lack of understanding into the stages of biofilm formation. Using an advanced light microscopy technique, episcopic differential interference contrast (EDIC) microscopy combined with epifluorescence (EF), we describe a non-destructive, non-contact, real-time imaging method used to track all stages of biofilm development from initial single cell attachment to complex crystalline biofilm formation. Using a simple six-well plate system, attachment of P. mirabilis (in artificial urine) to sections of silicone and hydrogel latex catheters was tracked over time (up to 24 days). Using EDIC and EF we show how initial attachment occurred in less than 1 h following exposure to P. mirabilis. This was rapidly followed by an accumulation of an additional material (indicated to be carbohydrate based using lectin staining) and the presence of highly elongated, motile cells. After 24 h exposure, a layer developed above this conditioning film and within 4 days the entire surface (of both catheter materials) was covered with diffuse crystalline deposits with defined crystals embedded. Using three-dimensional image reconstruction software, cells of P. mirabilis were seen covering the crystal surfaces. EDIC microscopy could resolve these four components of the complex crystalline biofilm and the close relationship between P. mirabilis and the crystals. This real-time imaging technique permits study of this complex biofilm development with no risk

  16. Structural studies of different types of ferroelectric liquid crystalline substances

    Czech Academy of Sciences Publication Activity Database

    Obadović, D.Ž.; Stojanović, M.; Bubnov, Alexej; Éber, N.; Cvetinov, M.; Vajda, A.

    2011-01-01

    Roč. 35, č. 1 (2011), s. 3-13 ISSN 1450-7404 R&D Projects: GA AV ČR IAA100100911; GA AV ČR(CZ) GA202/09/0047; GA ČR(CZ) GAP204/11/0723 Grant - others:RFASI(RU) 02.740.11.5166 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystals * phase transition * structure of liquid crystalline phases * molecular parameters Subject RIV: BM - Solid Matter Physics ; Magnetism

  17. Intestinal mucus and juice glycoproteins have a liquid crystalline structure

    International Nuclear Information System (INIS)

    Denisova, E.A.; Lazarev, P.I.; Vazina, A.A.; Zheleznaya, L.A.

    1985-01-01

    X-ray diffraction patterns have been obtained from the following components of canine gastrointestinal tract: (1) native small intestine mucus layer; (2) the precipitate of the flocks formed in the duodenal juice with decreasing pH; (3) concentrated solutions of glycoproteins isolated from the duodenal juice. The X-ray patterns consist of a large number of sharp reflections of spacings between about 100 and 4 A. Some reflections are common for all components studied. All the patterns are interpreted as arising from the glycoprotein molecules ordered into a liquid crystalline structure. (author)

  18. The effect of structurally related impurities on crystallinity reduction of sulfamethazine by grinding.

    Science.gov (United States)

    Hamada, Yoshito; Ono, Makoto; Ohara, Motomu; Yonemochi, Etsuo

    2016-12-30

    In this study, the effect of structurally related impurities on crystallinity reduction of sulfamethazine by grinding was evaluated. The crystallinity of sulfamethazine was not decreased when it was ground alone. However, when structurally related impurities with sulfonamide derivatives were blended, the crystallinity of sulfamethazine was decreased by grinding. Other materials without a sulfonamide moiety showed no such effect. The Raman spectra of sulfamethazine demonstrated that there was a difference between its crystalline and amorphous states within its sulfonamide structure. It was suggested that the sulfonamide structure of the impurities was important in causing the inhibition of recrystallization of sulfamethazine during grinding. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Effects of alkaline or liquid-ammonia treatment on crystalline cellulose: changes in crystalline structure and effects on enzymatic digestibility

    Directory of Open Access Journals (Sweden)

    Himmel Michael E

    2011-10-01

    Full Text Available Abstract Background In converting biomass to bioethanol, pretreatment is a key step intended to render cellulose more amenable and accessible to cellulase enzymes and thus increase glucose yields. In this study, four cellulose samples with different degrees of polymerization and crystallinity indexes were subjected to aqueous sodium hydroxide and anhydrous liquid ammonia treatments. The effects of the treatments on cellulose crystalline structure were studied, in addition to the effects on the digestibility of the celluloses by a cellulase complex. Results From X-ray diffractograms and nuclear magnetic resonance spectra, it was revealed that treatment with liquid ammonia produced the cellulose IIII allomorph; however, crystallinity depended on treatment conditions. Treatment at a low temperature (25°C resulted in a less crystalline product, whereas treatment at elevated temperatures (130°C or 140°C gave a more crystalline product. Treatment of cellulose I with aqueous sodium hydroxide (16.5 percent by weight resulted in formation of cellulose II, but also produced a much less crystalline cellulose. The relative digestibilities of the different cellulose allomorphs were tested by exposing the treated and untreated cellulose samples to a commercial enzyme mixture (Genencor-Danisco; GC 220. The digestibility results showed that the starting cellulose I samples were the least digestible (except for corn stover cellulose, which had a high amorphous content. Treatment with sodium hydroxide produced the most digestible cellulose, followed by treatment with liquid ammonia at a low temperature. Factor analysis indicated that initial rates of digestion (up to 24 hours were most strongly correlated with amorphous content. Correlation of allomorph type with digestibility was weak, but was strongest with cellulose conversion at later times. The cellulose IIII samples produced at higher temperatures had comparable crystallinities to the initial cellulose I

  20. Electronic, structural, and optical properties of crystalline yttria

    International Nuclear Information System (INIS)

    Xu, Y.; Gu, Z.; Ching, W.Y.

    1997-01-01

    The electronic structure of crystalline Y 2 O 3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom- and orbital-resolved partial DOS, effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B ' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Γ is obtained which increases with pressure at a rate of dE g /dP=0.012eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y 2 O 3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of var-epsilon(0)=3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Γ between the top of the valence band and the bottom of the conduction band may be symmetry forbidden. copyright 1997 The American Physical Society

  1. On real structures on rigid surfaces

    International Nuclear Information System (INIS)

    Kulikov, Vik S; Kharlamov, V M

    2002-01-01

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p g =q=0 and K 2 =9. These surfaces also provide new counterexamples to the 'Dif = Def' problem

  2. On real structures on rigid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kulikov, Vik S [Steklov Mathematical Institute, Russian Academy of Sciences (Russian Federation); Kharlamov, V M [Institut de Recherche Matematique Avanee Universite Louis Pasteur et CNRS 7 rue Rene Descartes (France)

    2002-02-28

    We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p{sub g}=q=0 and K{sup 2}=9. These surfaces also provide new counterexamples to the 'Dif = Def' problem.

  3. Study of α-crystallin structure by small-angle neutron scattering with contrast variation

    International Nuclear Information System (INIS)

    Krivandin, A.V.; Muranov, K.O.; Polyanskij, N.B.; Ostrovskij, M.A.; Murugova, T.N.; Kuklin, A.I.; Aksenov, V.L.

    2010-01-01

    The structure of the oligomeric protein α-crystallin from the bovine eye lens has been investigated by small-angle neutron scattering (SANS) by the contrast variation method (volume fraction of D 2 O was 0, 23, 68 and 90%). Experiments were carried out on YuMO spectrometer (IBR-2 reactor, JINR). From the SANS curves the match point for α-crystallin (43% D 2 O) and its average scattering length density at this point (2.4·10 10 cm -2 ) have been obtained. The radius of gyration and distance distribution functions for α-crystallin have been calculated as well. On the basis of these calculations it was concluded that α-crystallin has a homogeneous distribution of the scattering density in domains inaccessible for water penetration and all parts of this protein undergo a uniform deuteration. The latter indicates that all α-crystallin subunits have an equal accessibility for water and presumably for some other low molecular weight substances. These conclusions on the α-crystallin structure (a homogeneous distribution of the scattering density and an equal accessibility of all subunits for low molecular weight substances) should be taken into account in the time of elaboration of α-crystallin quaternary structure models

  4. Energy difference and energy of mixing for crystalline structures of Ni-Ti-Mo alloys

    International Nuclear Information System (INIS)

    Skorentsev, L.F.; Demidenko, V.S.

    1995-01-01

    Using the locator variant of the coherent potential method combined with the canonical d band approximation, we have obtained the energy characteristics of molybdenum-containing titanium nickelide alloys for real and virtual high-symmetry crystalline phases. We have analyzed the reasons implied by the calculation results for the difference in the properties of molybdenum- and iron-containing alloys

  5. Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

    Directory of Open Access Journals (Sweden)

    Fabi Zhang

    2018-04-01

    Full Text Available The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

  6. Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

    Science.gov (United States)

    Zhang, Fabi; Li, Haiou; Cui, Yi-Tao; Li, Guo-Ling; Guo, Qixin

    2018-04-01

    The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

  7. Study of the structural evolutions of crystalline tungsten oxide films prepared using hot-filament CVD

    International Nuclear Information System (INIS)

    Feng, P X; Wang, X P; Zhang, H X; Yang, B Q; Wang, Z B; Gonzalez-BerrIos, A; Morell, G; Weiner, B

    2007-01-01

    Structural evolutions of tungsten oxide(WO 3 ) samples on different substrates are studied using Raman spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, x-ray diffraction and x-ray photoelectron spectroscopy. The WO 3 samples are prepared using hot-filament CVD techniques. The focus of the study is on the evolutions of nano structures at different stages following deposition time. The experimental measurements reveal evolutions of the surface structures from uniform film to fractal-like structures, and eventually to nano particles, and crystalline structures from mono (0 1 0) crystalline thin film to polycrystalline thick film developments. The effect of high temperature on the nanostructured WO 3 is also investigated. Well-aligned nanoscale WO 3 rod arrays are obtained at a substrate temperature of up to 1400 deg. C. Further increasing the substrate temperature yields microscale crystalline WO 3 particles

  8. Effect of. gamma. -irradiation on the crystalline structure of silk fibroin and silk sericin

    Energy Technology Data Exchange (ETDEWEB)

    Tsukada, Masuhiro; Aoki, Akira

    1985-02-01

    Changes in the crystalline structure of silk sericin and silk fibroin induced by gamma-irradiation in the atmosphere described. The crystalline structure of silk sericin which had been subjected to gamma-irradiation remained unchanged. However the decomposition temperature of the specimen decreased to about 230 deg C, when the total dose of ..gamma.. rays exceeded 4.6 Mrad. The structure of the silk 1 type crystal of silk fibroin in the solid state, with a low degree of molecular orientation, changed into the silk 2 type crystal, when the total dose of ..gamma.. rays exceeded 4.6 Mrad. No changes in the crystalline structure were observed in the solid state of the silk 2 type crystal regardless of gamma-irradiation. The decrease in the decomposition temperature of the specimen was attributed to the decrease in the molecular orientation. However, the molecular conformation of silk fibroin with a randomly coiled structure remained unchanged even after gamma-irradiation.

  9. Structure and function of small heat shock/alpha-crystallin proteins: established concepts and emerging ideas.

    Science.gov (United States)

    MacRae, T H

    2000-06-01

    Small heat shock/alpha-crystallin proteins are defined by conserved sequence of approximately 90 amino acid residues, termed the alpha-crystallin domain, which is bounded by variable amino- and carboxy-terminal extensions. These proteins form oligomers, most of uncertain quaternary structure, and oligomerization is prerequisite to their function as molecular chaperones. Sequence modelling and physical analyses show that the secondary structure of small heat shock/alpha-crystallin proteins is predominately beta-pleated sheet. Crystallography, site-directed spin-labelling and yeast two-hybrid selection demonstrate regions of secondary structure within the alpha-crystallin domain that interact during oligomer assembly, a process also dependent on the amino terminus. Oligomers are dynamic, exhibiting subunit exchange and organizational plasticity, perhaps leading to functional diversity. Exposure of hydrophobic residues by structural modification facilitates chaperoning where denaturing proteins in the molten globule state associate with oligomers. The flexible carboxy-terminal extension contributes to chaperone activity by enhancing the solubility of small heat shock/alpha-crystallin proteins. Site-directed mutagenesis has yielded proteins where the effect of the change on structure and function depends upon the residue modified, the organism under study and the analytical techniques used. Most revealing, substitution of a conserved arginine residue within the alpha-crystallin domain has a major impact on quaternary structure and chaperone action probably through realignment of beta-sheets. These mutations are linked to inherited diseases. Oligomer size is regulated by a stress-responsive cascade including MAPKAP kinase 2/3 and p38. Phosphorylation of small heat shock/alpha-crystallin proteins has important consequences within stressed cells, especially for microfilaments.

  10. Effect of glycation on α-crystallin structure and chaperone-like function

    Science.gov (United States)

    Kumar, P. Anil; Kumar, M. Satish; Reddy, G. Bhanuprakash

    2007-01-01

    The chaperone-like activity of α-crystallin is considered to play an important role in the maintenance of the transparency of the eye lens. However, in the case of aging and in diabetes, the chaperone function of α-crystallin is compromized, resulting in cataract formation. Several post-translational modifications, including non-enzymatic glycation, have been shown to affect the chaperone function of α-crystallin in aging and in diabetes. A variety of agents have been identified as the predominant sources for the formation of AGEs (advanced glycation end-products) in various tissues, including the lens. Nevertheless, glycation of α-crystallin with various sugars has resulted in divergent results. In the present in vitro study, we have investigated the effect of glucose, fructose, G6P (glucose 6-phosphate) and MGO (methylglyoxal), which represent the major classes of glycating agents, on the structure and chaperone function of α-crystallin. Modification of α-crystallin with all four agents resulted in the formation of glycated protein, increased AGE fluorescence, protein cross-linking and HMM (high-molecular-mass) aggregation. Interestingly, these glycation-related profiles were found to vary with different glycating agents. For instance, CML [Nϵ-(carboxymethyl)lysine] was the predominant AGE formed upon glycation of α-crystallin with these agents. Although fructose and MGO caused significant conformational changes, there were no significant structural perturbations with glucose and G6P. With the exception of MGO modification, glycation with other sugars resulted in decreased chaperone activity in aggregation assays. However, modification with all four sugars led to the loss of chaperone activity as assessed using an enzyme inactivation assay. Glycation-induced loss of α-crystallin chaperone activity was associated with decreased hydrophobicity. Furthermore, α-crystallin isolated from glycated TSP (total lens soluble protein) had also increased AGE

  11. The thermal structural transition of alpha-crystallin modulates subunit interactions and increases protein solubility.

    Directory of Open Access Journals (Sweden)

    Giuseppe Maulucci

    Full Text Available BACKGROUND: Alpha crystallin is an oligomer composed of two types of subunits, alpha-A and alpha-B crystallin, and is the major constituent of human lens. The temperature induced condensation of alpha-crystallin, the main cause for eye lens opacification (cataract, is a two step-process, a nucleation followed by an aggregation phase, and a protective effect towards the aggregation is exhibited over the alpha crystallin phase transition temperature (Tc = 318.16 K. METHODS/RESULTS: To investigate if a modulation of the subunit interactions over Tc could trigger the protective mechanism towards the aggregation, we followed, by using simultaneously static and dynamic light scattering, the temperature induced condensation of alpha-crystallin. By developing a mathematical model able to uncouple the nucleation and aggregation processes, we find a previously unobserved transition in the nucleation rate constant. Its temperature dependence allows to determine fundamental structural parameters, the chemical potential (Δμ and the interfacial tension (γ of the aggregating phase, that characterize subunit interactions. CONCLUSIONS/GENERAL SIGNIFICANCE: The decrease of both Δμ and γ at Tc, and a relative increase in solubility, reveal a significative decrease in the strenght of alpha-crystallin subunits interactions, which protects from supramolecolar condensation in hypertermic conditions. On the whole, we suggest a general approach able to understand the structural and kinetic mechanisms involved in aggregation-related diseases and in drugs development and testing.

  12. Machine-learning approach for local classification of crystalline structures in multiphase systems

    Science.gov (United States)

    Dietz, C.; Kretz, T.; Thoma, M. H.

    2017-07-01

    Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.

  13. Structural Evolution of Human Recombinant alfaB-Crystallin under UV Irradiation

    DEFF Research Database (Denmark)

    Sugiyama, Masaaki; Fujii, Noriko; Morimoto, Yukio

    2008-01-01

    External stresses cause certain proteins to lose their regular structure and aggregate. In order to clarify this abnormal aggregation process, a structural evolution of human recombinant aB-crystallin under UV irradiation was observed with in situ small-angle neutron scattering. The abnormal...

  14. Establishing whether the structural feature controlling the mechanical properties of starch films is molecular or crystalline.

    Science.gov (United States)

    Li, Ming; Xie, Fengwei; Hasjim, Jovin; Witt, Torsten; Halley, Peter J; Gilbert, Robert G

    2015-03-06

    The effects of molecular and crystalline structures on the tensile mechanical properties of thermoplastic starch (TPS) films from waxy, normal, and high-amylose maize were investigated. Starch structural variations were obtained through extrusion and hydrothermal treatment (HTT). The molecular and crystalline structures were characterized using size-exclusion chromatography and X-ray diffractometry, respectively. TPS from high-amylose maize showed higher elongation at break and tensile strength than those from normal maize and waxy maize starches when processed with 40% plasticizer. Within the same amylose content, the mechanical properties were not affected by amylopectin molecular size or the crystallinity of TPS prior to HTT. This lack of correlation between the molecular size, crystallinity and mechanical properties may be due to the dominant effect of the plasticizer on the mechanical properties. Further crystallization of normal maize TPS by HTT increased the tensile strength and Young's modulus, while decreasing the elongation at break. The results suggest that the crystallinity from the remaining ungelatinized starch granules has less significant effect on the mechanical properties than that resulting from starch recrystallization, possibly due to a stronger network from leached-out amylose surrounding the remaining starch granules. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Topological Classification of Crystalline Insulators through Band Structure Combinatorics

    Science.gov (United States)

    Kruthoff, Jorrit; de Boer, Jan; van Wezel, Jasper; Kane, Charles L.; Slager, Robert-Jan

    2017-10-01

    We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure in all physically relevant dimensions. The algorithm applies to crystals without time-reversal, particle-hole, chiral, or any other anticommuting or anti-unitary symmetries. The results presented match the mathematical structure underlying the topological classification of these crystals in terms of K -theory and therefore elucidate this abstract mathematical framework from a simple combinatorial perspective. Using a straightforward counting procedure, we classify all allowed topological phases of spinless particles in crystals in class A . Employing this classification, we study transitions between topological phases within class A that are driven by band inversions at high-symmetry points in the first Brillouin zone. This enables us to list all possible types of phase transitions within a given crystal structure and to identify whether or not they give rise to intermediate Weyl semimetallic phases.

  16. Interfacial crystalline structures in injection over-molded polypropylene and bond strength.

    Science.gov (United States)

    Yan, Bowen; Wu, Hong; Jiang, Genjie; Guo, Shaoyun; Huang, Jian

    2010-11-01

    This paper describes interfacial crystalline structures found in injection overmolded polypropylene components and the relationship of these structures to bond strength between the components. The combined effects of the development of hierarchical gradient structures and the particular thermomechanical environment near the interface on the interfacial crystalline structures were investigated in detail by PLM, SEM, DSC, WAXD, and infrared dichroism spectroscopy. The experimental results showed that during molding there was competitive formation of interfacial crystalline structures consisted of "shish-kebab" layer (SKL) and a transcrystalline layers (TCL). Variation in shear stress (controlled by injection pressure and injection speed) plays an important role in the formation of the SKL. The formation of TCL is influenced by the thermal environment, namely melt temperature and mold temperature. Increasing within certain limits, interfacial temperature and the thermal gradient near the interface promotes β-iPP growth. The relationship between interfacial crystalline structures and interfacial bond strength was established by lap shear measurement. The interfacial bond strength is improved by enhancing the formation of TCL, but reduced if SKL predominates.

  17. Single crystalline silicon solar cells with rib structure

    Directory of Open Access Journals (Sweden)

    Shuhei Yoshiba

    2017-02-01

    Full Text Available To improve the conversion efficiency of Si solar cells, we have developed a thin Si wafer-based solar cell that uses a rib structure. The open-circuit voltage of a solar cell is known to increase with deceasing wafer thickness if the cell is adequately passivated. However, it is not easy to handle very thin wafers because they are brittle and are subject to warpage. We fabricated a lattice-shaped rib structure on the rear side of a thin Si wafer to improve the wafer’s strength. A silicon nitride film was deposited on the Si wafer surface and patterned to form a mask to fabricate the lattice-shaped rib, and the wafer was then etched using KOH to reduce the thickness of the active area, except for the rib region. Using this structure in a Si heterojunction cell, we demonstrated that a high open-circuit voltage (VOC could be obtained by thinning the wafer without sacrificing its strength. A wafer with thickness of 30 μm was prepared easily using this structure. We then fabricated Si heterojunction solar cells using these rib wafers, and measured their implied VOC as a function of wafer thickness. The measured values were compared with device simulation results, and we found that the measured VOC agrees well with the simulated results. To optimize the rib and cell design, we also performed device simulations using various wafer thicknesses and rib dimensions.

  18. Real Time Structured Light and Applications

    DEFF Research Database (Denmark)

    Wilm, Jakob

    Structured light scanning is a versatile method for 3D shape acquisition. While much faster than most competing measurement techniques, most high-end structured light scans still take in the order of seconds to complete. Low-cost sensors such as Microsoft Kinect and time of flight cameras have made......, increased processing power, and methods presented in this thesis, it is possible to perform structured light scans in real time with 20 depth measurements per second. This offers new opportunities for studying dynamic scenes, quality control, human-computer interaction and more. This thesis discusses...... several aspects of real time structured light systems and presents contributions within calibration, scene coding and motion correction aspects. The problem of reliable and fast calibration of such systems is addressed with a novel calibration scheme utilising radial basis functions [Contribution B...

  19. Crystalline structure in the confined-deconfined mixed phase: Neutron stars as an example

    International Nuclear Information System (INIS)

    Glendenning, N.K.

    1996-01-01

    We review the differences in first order phase transition of single and multi-component systems, and then discuss the crystalline structure expected to exist in the mixed confined deconfined phase of hadronic matter. The particular context of neutron stars is chosen for illustration. The qualitative results are general and apply for example to the vapor-liquid transition in subsaturated asymmetric nuclear matter

  20. Structural and Functional Consequences of Chaperone Site Deletion in αA-Crystallin

    Science.gov (United States)

    Santhoshkumar, Puttur; Karmakar, Srabani; Sharma, Krishna K.

    2016-01-01

    The chaperone-like activity of αA-crystallin has an important role in maintaining lens transparency. Previously we identified residues 70–88 as a chaperone site in αA-crystallin. In this study, we deleted the chaperone site residues to generate αAΔ70–76 and αAΔ70–88 mutants and investigated if there are additional substrate-binding sites in αA-crystallin. Both mutant proteins when expressed in E. coli formed inclusion bodies, and on solubilizing and refolding, they exhibited similar structural properties, with a 2- to 3-fold increase in molar mass compared to the molar mass of wild-type protein. The deletion mutants were less stable than the wild-type αA-crystallin. Functionally αAΔ70–88 was completely inactive as a chaperone, while αAΔ70–76 demonstrated a 40–50% reduction in anti-aggregation activity against alcohol dehydrogenase (ADH). Deletion of residues 70–88 abolished the ADH binding sites in αA-crystallin at physiological temperature. At 45 °C, cryptic ADH binding site(s) became exposed, which contributed subtly to the chaperone-like activity of αAΔ70–88. Both of the deletion mutants were completely inactive in suppressing aggregation of βL-crystallin at 53 °C. The mutants completely lost the anti-apoptotic property that αA-crystallin exhibits while they protected ARPE-19 (a human retinal pigment epithelial cell line) and primary human lens epithelial (HLE) cells from oxidative stress. Our studies demonstrate that residues 70–88 in αA-crystallin act as a primary substrate binding site and account for the bulk of the total chaperone activity. The β3 and β4 strands in αA-crystallin comprising 70–88 residues play an important role in maintenance of the structure and in preventing aggregation of denaturing proteins. PMID:27524665

  1. Luminescence and host lattice structure of crystalline micro and nanoparticles co-doped with lanthanide ions

    International Nuclear Information System (INIS)

    Zurba, Nadia Khaled; Ferreira, Jose Maria da Fonte

    2012-01-01

    This article reports the investigation of crystalline micro and nanoparticles codoped with lanthanide ions, aiming at correlate their host lattice structure and chemical composition to the luminescence features. For this purpose, five phosphors were characterized by X-ray diffraction (XRD), scanning electron microscopy coupled to energy dispersive X-ray (EDX) spectroscopy, and photoluminescence (PL) spectroscopy, namely performed by their chromatic coordinates, radiance, luminance and PL emission spectra. This type of investigation concerning the optical characterization of luminescent crystalline micro and nanoparticles doped with lanthanide ions might be useful for scientific and practical applications, such as in light-emitting devices, luminescent paintings, ceramics, sensors, in nanoscience and nanotechnology. (author)

  2. Color centers in KCN: a structural analysis of crystalline domains

    International Nuclear Information System (INIS)

    Carmo, L.C.S. do.

    1976-03-01

    Pure singlecrystals of KCN exposed to X-rays showed several color centers detected by EPR. The F center was identified through the correlation of its optical absorption band which satisfies the Ivey law for the KCN lattice parameter and the EPR spectrum typical of a center in an anionic site. Two other color centers were identified: N - 2 and HCN - . Two centers assigned to hydrogen atoms have their models proposed: U 2 and U 3 centers. Two other centers remain unidentified: an anionic and an extrinsic centers. The orthorhombic character of the N - 2 center EPR parameters allowed an structural analysis of the crystal line domains in the orthorhombic phase. The optical absorption spectrum of the HCN - center in KCl matrix was investigated and showed a set of resolved bands with a constant energy splitting; this splitting was associated to a vibrational mode of the excited state of this molecular ion. (author) [pt

  3. Quasi-crystalline and disordered photonic structures fabricated using direct laser writing

    Science.gov (United States)

    Sinelnik, Artem D.; Pinegin, Konstantin V.; Bulashevich, Grigorii A.; Rybin, Mikhail V.; Limonov, Mikhail F.; Samusev, Kirill B.

    2017-09-01

    Direct laser writing is a rapid prototyping technology that has been utilized for the fabrication of micro- and nano-scale materials that have a perfect structure in most of the cases. In this study we exploit the direct laser writing to create several classes of non-periodic materials, such as quasi-crystalline lattices and three-dimensional (3D) objects with an orientation disorder in structural elements. Among quasi-crystalline lattices we consider Penrose tiling and Lévy-type photonic glasses. Images of the fabricated structures are obtained with a scanning electron microscope. In experiment we study the optical diffraction from 3D woodpile photonic structures with orientation disorder and analyze diffraction patters observed on a flat screen positioned behind the sample. With increasing of the disorder degree, we find an impressive transformation of the diffraction patterns from perfect Laue picture to a speckle pattern.

  4. Adjustable internal structure for reconstructing gradient index profile of crystalline lens.

    Science.gov (United States)

    Bahrami, Mehdi; Goncharov, Alexander V; Pierscionek, Barbara K

    2014-03-01

    Employing advanced technologies in studying the crystalline lens of the eye has improved our understanding of the refractive index gradient of the lens. Reconstructing and studying such a complex structure requires models with adaptable internal geometry that can be altered to simulate geometrical and optical changes of the lens with aging. In this Letter, we introduce an optically well-defined, geometrical structure for modeling the gradient refractive index profile of the crystalline lens with the advantage of an adjustable internal structure that is not available with existing models. The refractive index profile assigned to this rotationally symmetric geometry is calculated numerically, yet it is shown that this does not limit the model. The study provides a basis for developing lens models with sophisticated external and internal structures without the need for analytical solutions to calculate refractive index profiles.

  5. Understanding changes in cellulose crystalline structure of lignocellulosic biomass during ionic liquid pretreatment by XRD.

    Science.gov (United States)

    Zhang, Jiafu; Wang, Yixun; Zhang, Liye; Zhang, Ruihong; Liu, Guangqing; Cheng, Gang

    2014-01-01

    X-ray diffraction (XRD) was used to understand the interactions of cellulose in lignocellulosic biomass with ionic liquids (ILs). The experiment was designed in such a way that the process of swelling and solubilization of crystalline cellulose in plant cell walls was followed by XRD. Three different feedstocks, switchgrass, corn stover and rice husk, were pretreated using 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) at temperatures of 50-130°C for 6h. At a 5 wt.% biomass loading, increasing pretreatment temperature led to a drop in biomass crystallinity index (CrI), which was due to swelling of crystalline cellulose. After most of the crystalline cellulose was swollen with IL molecules, a low-order structure was found in the pretreated samples. Upon further increasing temperature, cellulose II structure started to form in the pretreated biomass samples as a result of solubilization of cellulose in [C4mim][OAc] and subsequent regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Identification of crystalline structures using Moessbauer parameters and artificial neural network

    International Nuclear Information System (INIS)

    Salles, E.O.T.; Souza Junior, P.A. De; Garg, V.K.

    1995-01-01

    Moessbauer spectroscopy is a useful technique for characterizing the valences, electronic and magnetic states, coordination symmetric and site occupancies of Fe cations. The Moessbauer parameters of Isomer Shift (I.S.) and Quadrupole Splitting (Q.S.) are useful to distinguish paramagnetic ferrous and ferric ions in several substances, while the internal magnetic field provides information on the crystallinity. A correlation is being sought between Moessbauer parameters and several structure properties of some iron-containing minerals using Artificial Neural Networks (ANN). Distinct regions of crystalline structures are defined when any two parameters are plotted, but in several cases superposition of these regions leads to erroneous conclusions. We have tried to eliminate this difficulty by using convenient axes. These axes form n-dimensional vectors as input to our ANN. In recent years ANN has shown to be a powerful technique to solve problems as pattern recognition, optimization, preview ups and downs in stock market, automatic control and identification of a mineral from a Moessbauer spectrum of Moessbauer data bank. Using ANN we have been successful in identification of crystalline structures from plots of Moessbauer spectral parameters of I.S., Q.S., and structure using Moessbauer parameters of I.S., Q.S., and polyhedral volume of a coordination site are presented. (author) 28 refs.; 4 figs.; 2 tabs

  7. Vacuolar processing enzyme plays an essential role in the crystalline structure of glutelin in rice seed.

    Science.gov (United States)

    Kumamaru, Toshihiro; Uemura, Yuji; Inoue, Yoshimi; Takemoto, Yoko; Siddiqui, Sadar Uddin; Ogawa, Masahiro; Hara-Nishimura, Ikuko; Satoh, Hikaru

    2010-01-01

    To identify the function of genes that regulate the processing of proglutelin, we performed an analysis of glup3 mutants, which accumulates excess amounts of proglutelin and lack the vacuolar processing enzyme (VPE). VPE activity in developing seeds from glup3 lines was reduced remarkably compared with the wild type. DNA sequencing of the VPE gene in glup3 mutants revealed either amino acid substitutions or the appearance of a stop codon within the coding region. Microscopic observations showed that alpha-globulin and proglutelin were distributed homogeneously within glup3 protein storage vacuoles (PSVs), and that glup3 PSVs lacked the crystalline lattice structure typical of wild-type PSVs. This suggests that the processing of proglutelin by VPE in rice is essential for proper PSV structure and compartmentalization of storage proteins. Growth retardation in glup3 seedlings was also observed, indicating that the processing of proglutelin influences early seedling development. These findings indicate that storage of glutelin in its mature form as a crystalline structure in PSVs is required for the rapid use of glutelin as a source of amino acids during early seedling development. In conclusion, VPE plays an important role in the formation of protein crystalline structures in PSVs.

  8. Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations

    International Nuclear Information System (INIS)

    Pietrucci, Fabio; Martoňák, Roman

    2015-01-01

    Systematically resolving different crystalline phases starting from the atomic positions, a mandatory step in algorithms for the prediction of structures or for the simulation of phase transitions, can be a non-trivial task. Extending to amorphous phases and liquids which lack the discrete symmetries, the problem becomes even more difficult, involving subtle topological differences at medium range that, however, are crucial to the physico-chemical and spectroscopic properties of the corresponding materials. Typically, system-tailored order parameters are devised, like global or local symmetry indicators, ring populations, etc. We show that a recently introduced metric provides a simple and general solution to this intricate problem. In particular, we demonstrate that a map can be traced displaying distances among water phases, including crystalline as well as amorphous states and the liquid, consistently with experimental knowledge in terms of phase diagram, structural features, and preparation routes

  9. The Influence of Surface Anisotropy Crystalline Structure on Wetting of Sapphire by Molten Aluminum

    Science.gov (United States)

    Aguilar-Santillan, Joaquin

    2013-05-01

    The wetting of sapphire by molten aluminum was investigated by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) at PO2 <10-15 Pa under Ar atmosphere. This study focuses on sapphire crystalline structure and its principle to the interface. The planes " a" and " b" are oxygen terminated structures and wet more by Al, whereas the " c" plane is an aluminum terminated structure. A wetting transition at 1273 K (1000 °C) was obtained and a solid surface tension proves the capillarity trends of the couple.

  10. Crystal Structure of Chicken γS-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the βγ-Crystallins.

    Science.gov (United States)

    Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme

    2017-07-05

    Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.

  11. Structural, optical and mechanical properties of amorphous and crystalline alumina thin films

    Energy Technology Data Exchange (ETDEWEB)

    Nayar, Priyanka [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Khanna, Atul, E-mail: akphysics@yahoo.com [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Kabiraj, D.; Abhilash, S.R. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Beake, Ben D.; Losset, Yannick [Micro Materials Limited, Unit 3, Wrexham Technology Park, Wrexham LL13 7YP (United Kingdom); Chen, Banghao [Chemistry and Biochemistry Department, Florida State University, Tallahassee 32306 (United States)

    2014-10-01

    Thin films of amorphous alumina of thickness 350 nm were deposited on fused silica substrates by electron beam evaporation. Amorphous films were annealed at several temperatures in the range: 400–1130 °C and changes in film crystallinity, short-range structure, optical and mechanical properties were studied. X-ray diffraction studies found that crystallization starts at 800 °C and produces γ and δ-alumina, the latter phase grows with heat treatment and the sample was mostly δ and θ-alumina after annealing at 1130 °C. The as-deposited amorphous alumina films have low hardness of 5 to 8 GPa, which increases to 11 to 12 GPa in crystalline sample. {sup 27}Al Magic Angle Spinning Nuclear Magnetic Resonance was used to study the short-range order of amorphous and crystalline alumina films and it was found that amorphous alumina film contains AlO{sub 5} and AlO{sub 4} structural units in the ratio of 1:2. The concentration of AlO{sub 5} was significantly suppressed in crystalline film, which contains 48% of Al{sup 3+} ions in AlO{sub 6}, 7% in AlO{sub 5} and 45% in AlO{sub 4} units. - Highlights: • Structure–property correlations in alumina films grown by electron-beam evaporation • Amorphous films crystallize into γ and δ-alumina on annealing in air at 800 °C. • δ and θ-alumina films are stable up to 1130 °C and do not transform to α-phase. • Amorphous alumina films contain {sup [5]}Al and {sup [4]}Al structural units in the ratio of 1:2. • {sup [5]}Al decreases whereas {sup [6]}Al concentration increases on crystallization.

  12. Plantain starch granules morphology, crystallinity, structure transition, and size evolution upon acid hydrolysis.

    Science.gov (United States)

    Hernández-Jaimes, C; Bello-Pérez, L A; Vernon-Carter, E J; Alvarez-Ramirez, J

    2013-06-05

    Plantain native starch was hydrolysed with sulphuric acid for twenty days. Hydrolysis kinetics was described by a logistic function, with a zero-order rate during the first seven days, followed by a slower kinetics dynamics at longer times. X-ray diffraction results revealed a that gradual increase in crystallinity occurred during the first seven days, followed by a decrease to values similar to those found in the native starch. Differential scanning calorimetry analysis suggested a sharp structure transition by the seventh day probably due to a molecular rearrangement of the starch blocklets and inhomogeneous erosion of the amorphous regions and semi crystalline lamellae. Scanning electron micrographs showed that starch granules morphology was continually degraded from an initial oval-like shape to irregular shapes due to aggregation effects. Granule size distribution broadened as hydrolysis time proceeded probably due to fragmentation and agglomeration phenomena of the hydrolysed starch granules. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Ripple structures on surfaces and underlying crystalline layers in ion beam irradiated Si wafers

    Energy Technology Data Exchange (ETDEWEB)

    Grenzer, J.; Muecklich, A. [Forschungszentrum Rossendorf, Institut fuer Ionenstrahlphysik und Materialforschung, Dresden (Germany); Biermanns, A.; Grigorian, S.A.; Pietsch, U. [Institute of Physics, University of Siegen (Germany)

    2009-08-15

    We report on the formation of ion beam induced ripples in Si(001) wafers when bombarded with Ar+ ions at an energy of 60 keV. A set of samples varying incidence and azimuthal angles of the ion beam with respect to the crystalline surface orientation was studied by two complementary near surface sensitive techniques, namely atomic force microscopy and depth-resolved X-ray grazing incidence diffraction (GID). Additionally, cross-section TEM investigations were carried out. The ripple-like structures are formed at the sample surface as well as at the buried amorphous-crystalline interface. Best quality of the ripple pattern was found when the irradiating ion beam was aligned parallel to the (111) planes. The quality decreases rapidly if the direction of the ion beam deviates from (111). (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  14. Effect of Polyamide 6 on Crystalline Structure of Polymer in PVDF-Nanoclay Nanocomposite

    Directory of Open Access Journals (Sweden)

    Ali Akbar Yousefi

    2012-12-01

    Full Text Available The  effect  of  nanocaly  on  crystalline  structure  of  poly(vinylidene  fuoride, PVDF, and the morphology of the resulting nano-composite were investigated using  different  characterization  techniques.  The  presence  of  3wt%  Cloisite 30B in PVDF matrix results in 11 fold increase in the percentage of beta crystalline content of the polymer. This was found to be attributed to the epitaxial effect of the clay  surface. The  beta  crystalline  content  of  the  pure  polymer  (6% was  raised  to 68% in the composite. Addition of 5wt% polyamide 6 (PA6 improved dispersion of nanoclay which led to augmentation of the viscosity and displacement of the crossover frequency of the compatibilized composite towards lower frequencies. However, due to stronger affnity of the PA6 towards organically modifed clay the epitaxial effect of  the  clay on  crystalline  structure of PVDF was  totally  eliminated. The  reduction of  viscosity  in  incompatibilized  nanocomposite was  attributed  to  reduced  number of PVDF chain entanglements  in  the presence of nanoclay. Meanwhile,  increase  in viscosity and displacement of crossover  frequency  towards  lower  frequencies were attributed to formation of clay-PA nanoparticles and PVDF-polyamide 6 interactions. It is expected that the presence of polyamide 6 promotes the formation of oriented-beta crystals in PVDF, which in turn improves the piezoelectric properties of the polymer.

  15. Computer simulation of the structure and properties of non-crystalline oxides

    International Nuclear Information System (INIS)

    Belashchenko, D.K.

    1997-01-01

    The structure data and some properties of non-crystalline (liquid and amorphous) oxide systems are discussed that were obtained using computer simulation methods. The simple oxide models, the homological serii of simple oxides, the models of binary and multi-components oxide systems are considered. Also the results of the simulation of ionic transfer in electric field are discussed. Ionic theory of oxides allows to predict the structure, thermodynamic and other properties for many oxide systems except the phosphate and vanadate oxides and some others

  16. Critical Role of Crystalline Anisotropy in the Stability of Cellular Array Structures in Directional Solidification

    International Nuclear Information System (INIS)

    Kopczynski, P.; Rappel, W.; Karma, A.

    1996-01-01

    We calculate numerically the full Floquet-Bloch stability spectrum of cellular array structures in a symmetric model of directional solidification. Our results demonstrate that crystalline anisotropy critically influences the stability of these structures. Without anisotropy, the stability balloon of cells in the plane of wave number and velocity closes near the onset of morphological instability. With a finite, but even small, amount of anisotropy this balloon remains open and a band of stable solutions persists for higher velocities into a deep cell regime. The width of the balloon depends critically on the anisotropy strength. copyright 1996 The American Physical Society

  17. Electronic structure and electric fields gradients of crystalline Sn(II) and Sn(IV) compounds

    International Nuclear Information System (INIS)

    Terra, J.; Guenzburger, D.

    1991-01-01

    The electronic structures of clusters representing crystalline compounds of Sn(II) and Sn(IV) were investigated, employing the first-principles Discrete Variational method and Local Density theory. Densities of states and related parameters were obtained and compared with experimental measurements and with results from band structure calculations. Effects of cluster size and of cluster truncated bonds are discussed. Electric field gradients at the Sn nucleus were calculated; results are analysed in terms of charge distribution and chemical bonding in the crystals. (author)

  18. Effect of the processing parameters on the crystalline structure of lanthanide ortho tantalates

    Energy Technology Data Exchange (ETDEWEB)

    Siqueira, Kisla P.F.; Dias, Anderson, E-mail: anderson_dias@iceb.ufop.br [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Dept. de Quimica

    2014-08-15

    The influence of the synthesis parameters on the crystalline structures of ortho tantalate ceramics has been investigated. Powder materials were prepared by the solid-state reaction route. X-ray diffraction and Raman scattering measurements were employed to investigate the crystal structure of the produced materials. In this work, we analyzed three different examples in which the temperature and time were decisive on the final crystal structure of LnTaO{sub 4} compounds besides the lanthanide ionic size. Firstly, the thermal evolution for NdTaO{sub 4} samples showed that mixed crystal phases are formed up to 1100 °C, while well-crystallized M-NdTaO{sub 4} (I2/a) materials are obtained in temperatures higher than 1200 °C. Also, the influence of the synthesis time was investigated for the LaTaO{sub 4} ceramics: it was necessary 14 h to obtain samples in the P2{sub 1}/c structure. Finally, two polymorphs could be obtained for the DyTaO{sub 4} ceramics: P2/a and I2/a space groups were obtained at 1300 °C and 1500 °C, respectively. This study indicated that the temperature, time and lanthanide size are directly correlated with the crystalline arrangement of the ortho tantalate materials.(author)

  19. Structure of Cu-Ti brazing filler metal in amorphous and crystalline states

    Energy Technology Data Exchange (ETDEWEB)

    Maksymova, S; Khorunov, V [Paton Electric Welding Institute, NASU, 11 Bozhenko Str., Kyiv, 03680 (Ukraine); Zelinskaya, G [G.V. Kurdyumov Institute of Metal Physics, NASU, Kyiv, 03142 (Ukraine)], E-mail: maksymova@paton.kiev.ua

    2008-02-15

    Structure, chemical homogeneity and phase composition of rapidly quenched ribbons of brazing filler metal Ti{sub 57}Cu{sub 43} were investigated. The ribbons were found to be amorphous. The alloy components are uniformly distributed along the thickness of the strip. High-temperature differential thermal analysis was used to determine temperature ranges of the ribbons crystallization. X-ray diffraction analysis was performed to study phase composition of the rapidly quenched ribbons in the initial state and after their isothermal annealing. Two crystalline phases - {gamma}-CuTi and CuTi{sub 3} being identified in the latter case.

  20. Crystalline structure of the marketed form of Rifampicin: a case of conformational and charge transfer polymorphism

    Science.gov (United States)

    de Pinho Pessoa Nogueira, Luciana; de Oliveira, Yara S.; de C. Fonseca, Jéssica; Costa, Wendell S.; Raffin, Fernanda N.; Ellena, Javier; Ayala, Alejandro Pedro

    2018-03-01

    Rifampicin is a semi-synthetic drug derived from rifamycin B, and currently integrates the fixed dose combination tablet formulations used in the treatment of tuberculosis. It is also used in the leprosy polychemotherapy and prophylaxis, which are diseases classified as neglected according to the World Health Organization. Rifampicin is a polymorphic drug and its desirable polymorphic form is labeled as II, being the main goal of this study the elucidation of its crystalline structure. Polymorph II is characterized by two molecules with different conformations in the asymmetric unit and the following lattice parameters: a = 14.0760 (10) Å, b = 17.5450 (10) Å, c = 17.5270 (10) Å, β = 92.15°. Differently to the previously reported structures, a charge transference from the hydroxyl group of the naphthoquinone of one conformer to the nitrogen of the piperazine group of the second conformer was observed. The relevance of the knowledge of this crystalline structure, which is the preferred polymorph for pharmaceutical formulations, was evidenced by analyzing raw materials with polymorphic mixtures. Thus, the results presented in this contribution close an old information gap allowing the complete solid-state characterization of rifampicin.

  1. Liquid crystalline tactoids: ordered structure, defective coalescence and evolution in confined geometries

    Science.gov (United States)

    Wang, Pei-Xi; MacLachlan, Mark J.

    2017-12-01

    Tactoids are liquid crystalline microdroplets that spontaneously nucleate from isotropic dispersions, and transform into macroscopic anisotropic phases. These intermediate structures have been found in a range of molecular, polymeric and colloidal liquid crystals. Typically only studied by polarized optical microscopy, these ordered but easily deformable microdroplets are now emerging as interesting components for structural investigations and developing new materials. In this review, we highlight the structure, property and transformation of tactoids in different compositions, but especially cellulose nanocrystals. We have selected references that illustrate the diversity and most exciting developments in tactoid research, while capturing the historical development of this field. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

  2. THE CONCEPT AND ESSENCE, THE STRUCTURE OF REAL ESTATE MARKET

    Directory of Open Access Journals (Sweden)

    Edgar V. Hovsepyan

    2015-01-01

    Full Text Available With the help of the international research literature, and the legislative framework of the Russian Federation and the Republic of Armenia in the article reveals the basic concepts and the essence of the real estate market, as well as given the classification of real estate. Thoroughly explains the difference between the concepts of "real estate" and "real property". In the article considered the main elements which includes the structure of the real estate market.

  3. Formation of a new benzene-ethane co-crystalline structure under cryogenic conditions.

    Science.gov (United States)

    Vu, Tuan Hoang; Cable, Morgan L; Choukroun, Mathieu; Hodyss, Robert; Beauchamp, Patricia

    2014-06-12

    We report the first experimental finding of a solid molecular complex between benzene and ethane, two small apolar hydrocarbons, at atmospheric pressure and cryogenic temperatures. Considerable amounts of ethane are found to be incorporated inside the benzene lattice upon the addition of liquid ethane onto solid benzene at 90-150 K, resulting in formation of a distinctive co-crystalline structure that can be detected via micro-Raman spectroscopy. Two new features characteristic of these co-crystals are observed in the Raman spectra at 2873 and 1455 cm(-1), which are red-shifted by 12 cm(-1) from the υ1 (a1g) and υ11 (eg) stretching modes of liquid ethane, respectively. Analysis of benzene and ethane vibrational bands combined with quantum mechanical modeling of isolated molecular dimers reveal an interaction between the aromatic ring of benzene and the hydrogen atoms of ethane in a C-H···π fashion. The most favored configuration for the benzene-ethane dimer is the monodentate-contact structure, with a calculated interaction energy of 9.33 kJ/mol and an equilibrium bonding distance of 2.66 Å. These parameters are comparable to those for a T-shaped co-crystalline complex between benzene and acetylene that has been previously reported in the literature. These results are relevant for understanding the hydrocarbon cycle of Titan, where benzene and similar organics may act as potential hydrocarbon reservoirs due to this incorporation mechanism.

  4. Crystalline phases and electronic structures in superconducting Bi endash Sr endash Ca endash Cu oxides

    International Nuclear Information System (INIS)

    Giardina, M.D.; Feduzi, R.; Inzaghi, D.; Manara, A.; Giori, C.; Sora, I.N.; Dallacasa, V.

    1997-01-01

    Two classes of samples, designated A and B, of layered Bi endash Sr endash Ca endash Cu oxides having the same nominal composition 4:3:3:4, but different thermal histories, were investigated by using field modulated microwave absorption (ESR), powder x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), and x-ray absorption near the edge structure (XANES). Previous electrical resistivity measurements showed that the B samples only presented two superconducting phases with midpoints of the transition temperatures at ∼80K and ∼105K. The microwave absorption technique indicated instead the presence of islands which became superconducting at the above-mentioned temperatures also in the A samples. The crystalline and electronic structures of the two types of samples are illustrated and discussed. A plausible theoretical interpretation of the experimental results, based on a quantum percolation model with Coulomb interaction, is also given. copyright 1997 Materials Research Society

  5. Electro-purification of carbon nanotube networks without damaging the assembly structure and crystallinity

    Science.gov (United States)

    Yang, Xueqin; Yang, Ming; Zhang, Huichao; Zhao, Jingna; Zhang, Xiaohua; Li, Qingwen

    2018-06-01

    Fe-containing nanoparticles are of a high mass fraction in the as-grown carbon nanotube (CNT) network. By controlling the S-to-Fe atom ratio in the growth feedstock and introducing water as a weak oxidant, highly crystalline few-walled CNT network can be obtained, with a mass fraction of over 20 wt% for the Fe-containing nanoparticles. We report here an electron-oxidation-based purification method to efficiently remove the Fe-containing nanoparticles without inducing clear damage to either the assembly structure or the tube crystallinity. The purification could increase the ratio between Raman D and G peak intensities slightly from 0.08 to 0.12, decrease the specific conductivity from 0.31 to 0.24 S m2/g and the Fe content from >20 wt% to ≈1 wt%, and modify the capacitance just by about 13 F/g. All these indicate that the CNT network was well maintained by such gentle electro-oxidation-based purification. In addition, the purified CNT network can exhibit advantages in mechanical and electrical applications.

  6. Unravelling the local structure of topological crystalline insulators using hyperfine interactions

    CERN Multimedia

    Phenomena emerging from relativistic electrons in solids have become one the main topical subjects in condensed matter physics. Among a wealth of intriguing new phenomena, several classes of materials have emerged including graphene, topological insulators and Dirac semi-metals. This project is devoted to one such class of materials, in which a subtle distortion of the crystalline lattice drives a material through different topological phases: Z$_{2}$ topological insulator (Z$_{2}$-TI), topological crystalline insulator (TCI), or ferroelectric Rashba semiconductor (FERS). We propose to investigate the local structure of Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te (with $\\textit{x}$ from 0 to 1) using a combination of experimental techniques based on hyperfine interactions: emission Mössbauer spectroscopy (eMS) and perturbed angular correlation spectroscopy (PAC). In particular, we propose to study the effect of composition ($\\textit{x}$ in Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te) on: \\\\ \\\\(1) the mag...

  7. Local structure and disorder in crystalline Pb9Al8O21

    International Nuclear Information System (INIS)

    Hannon, Alex C.; Barney, Emma R.; Holland, Diane; Knight, Kevin S.

    2008-01-01

    Crystalline Pb 9 Al 8 O 21 is a model compound for the structure of non-linear optical glasses containing lone-pair ions, and its structure has been investigated by neutron powder diffraction and total scattering, and 27 Al magic angle spinning NMR. Rietveld analysis (space group Pa3-bar (No. 205), a=13.25221(4) A) shows that some of the Pb and O sites have partial occupancies, due to lead volatilisation during sample preparation, and the non-stoichiometric sample composition is Pb 9-δ Al 8 O 21-δ with δ=0.54. The NMR measurements show evidence for a correlation between the chemical shift and the variance of the bond angles at the aluminium sites. The neutron total correlation function shows that the true average Al-O bond length is 0.8% longer than the apparent bond length determined by Rietveld refinement. The thermal variation in bond length is much smaller than the thermal variation in longer interatomic distances determined by Rietveld refinement. The total correlation function is consistent with an interpretation in which AlO 3 groups with an Al-O bond length of 1.651 A occur as a result of the oxygen vacancies in the structure. The width of the tetrahedral Al-O peak in the correlation function for the crystal is very similar to that for lead aluminate glass, indicating that the extent of static disorder is very similar in the two phases. - Graphical abstract: Combined neutron powder diffraction and total scattering, and 27 Al NMR on crystalline Pb 9 Al 8 O 21 shows it to be a non-stoichiometric compound with vacancies due to PbO volatilisation. A detailed consideration of the thermal and static disorder is given, showing that glass and crystal phases have very similar disorder at short range

  8. Novel light trapping scheme for thin crystalline cells utilizing deep structures on both wafer sides [solar cells

    DEFF Research Database (Denmark)

    Jørgensen, Anders Michael; Clausen, Thomas; Leistiko, Otto

    1998-01-01

    62 times the average thickness. The structure consists of deep (-200 μm) inverted pyramids on the front side and deep (-200 μm) truncated pyramids with eight sides on the back. The structure is realized in crystalline silicon by wet chemical etching using potassium hydroxide (KOH) and isopropanol...

  9. Xe ion beam induced rippled structures on differently oriented single-crystalline Si surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hanisch, Antje; Grenzer, Joerg; Facsko, Stefan [Forschungszentrum Dresden-Rossendorf, Institut fuer Ionenstrahlphysik und Materialforschung, PO Box 510119, 01314 Dresden (Germany); Biermanns, Andreas; Pietsch, Ullrich, E-mail: A.Hanisch@fzd.d [Universitaet Siegen, Festkoerperphysik, 57068 Siegen (Germany)

    2010-03-24

    We report on Xe{sup +} induced ripple formation at medium energy on single-crystalline silicon surfaces of different orientations using substrates with an intentional miscut from the [0 0 1] direction and a [1 1 1] oriented wafer. The ion beam incidence angle with respect to the surface normal was kept fixed at 65{sup 0} and the ion beam projection was parallel or perpendicular to the [1 1 0] direction. By a combination of atomic force microscopy, x-ray diffraction and high-resolution transmission electron microscopy we found that the features of the surface and subsurface rippled structures such as ripple wavelength and amplitude and the degree of order do not depend on the surface orientation as assumed in recent models of pattern formation for semiconductor surfaces. (fast track communication)

  10. Crystalline structure of polypropylene in blends with thermoplastic elastomers after electron beam irradiation

    International Nuclear Information System (INIS)

    Steller, Ryszard; Zuchowska, Danuta; Meissner, Wanda; Paukszta, Dominik; Garbarczyk, Jozef

    2006-01-01

    Isotactic polypropylene (PP) was blended in extruder with 0-50% addition of styrene-ethylene/butylene-styrene (SEBS) and styrene-butadiene-styrene (SBS) block copolymers. Granulated blends were irradiated with electron beam (60 kGy) and 1 week later processed with injection molding machine. Properties of samples molded from irradiated and non-irradiated granulates were investigated using DSC, WAXS, MFR, SEM and mechanical and solubility tests. It was found that the SEBS based systems are more resistant to irradiation in comparison to similar blends with SBS copolymer. Such behavior can be explained by the presence of double bonds in elastic SBS block. Irradiation of PP-SBS blends leads to considerable structure changes of crystalline and amorphous PP phases and elastic SBS phase. It indicates creation of new (inter)phase consisting of products of grafting and cross-linking reactions. Irradiated PP-SBS blends show significant improvement of impact strength at low temperatures

  11. Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

    Directory of Open Access Journals (Sweden)

    Aleksey I. Kochaev

    2017-02-01

    Full Text Available The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 34324, 3342, and 346 types (the notations are given in Schläfly symbols, using ab initio calculations, has researched. Atoms of P, As, Sb, Bi from 15th group and atoms of S, Se, Te from 16th group of the periodic table were taken into consideration. The lengths of interatomic bonds corresponding to the steadiest states for such were determined. We found that among these new composed structures crystals encountered strong elastic properties. Besides, some of them can possess pyroelectric and piezoelectric properties. Our results can be used for nanoelectronics and nanoelectromechanical devices designing.

  12. Structure and crystallinity of water dispersible photoactive nanoparticles for organic solar cells

    DEFF Research Database (Denmark)

    Pedersen, Emil Bøje Lind; Pedersen, M.C.; Simonsen, Søren Bredmose

    2015-01-01

    Water based inks would be a strong advantage for large scale production of organic photovoltaic devices. Formation of water dispersible nanoparticles produced by the Landfester method is a promising route to achieve such inks. We provide new insights into the key ink properties of poly(3-hexylthi......Water based inks would be a strong advantage for large scale production of organic photovoltaic devices. Formation of water dispersible nanoparticles produced by the Landfester method is a promising route to achieve such inks. We provide new insights into the key ink properties of poly(3......-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) nanoparticles such as the internal structure and crystallinity of the dispersed nanoparticles and the previously unreported drastic changes that occur when the inks are cast into a film. We observe through transmission electron...

  13. Effects of crystalline structure in the transmission of ions through thin foils

    International Nuclear Information System (INIS)

    Archubi, Claudio

    2005-01-01

    Two fundamental aspects of ion transmission through thin foils are analyzed in this thesis.1) Energy loss.2) Angular distribution.The subject is studied in three different approaches: Theoretically, experimentally and by numerical simulations.In the theoretical approach, the models for the calculation of the energy loss and angular distribution are discussed.They are showed to be unsatisfactory to explain the effects of crystalline structure at low energies.A model is developed to estimate the angular dispersion due to the elastic scattering between the projectile and the target electrons. Simultaneously, angular distribution and energy loss measurements have been performed bombarding polycrystalline and monocrystalline gold and polycrystalline aluminum targets with protons and helium ions with energies in the range of 4-10 keV, together with a detailed study of the foils by electron transmission microscopy techniques.The experimental results are compared with the results of a numerical simulation code, modified and extended in the scope of this thesis.The results show an important influence of crystalline structure and the different targets defects in the angular distribution.This influence is much lower in the case of the angular behaviour of the energy loss (being almost negligible in the case of protons).The most relevant characteristic of the angular behaviour of the energy loss in the case of helium ions is that it is necessary to assume in the simulation method an impact parameter dependence of the stopping coefficient to obtain an agreement between simulation and experimental results [es

  14. Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate

    Directory of Open Access Journals (Sweden)

    Rulong Zhou

    2014-03-01

    Full Text Available Although CO_{2} and SiO_{2} both belong to group-IV oxides, they exhibit remarkably different bonding characteristics and phase behavior at ambient conditions. At room temperature, CO_{2} is a gas, whereas SiO_{2} is a covalent solid with rich polymorphs. A recent successful synthesis of the silicon-carbonate solid from the reaction between CO_{2} and SiO_{2} under high pressure [M. Santoro et al., Proc. Natl. Acad. Sci. U.S.A. 108, 7689 (2011] has resolved a long-standing puzzle regarding whether a Si_{x}C_{1−x}O_{2} compound between CO_{2} and SiO_{2} exists in nature. Nevertheless, the detailed atomic structure of the Si_{x}C_{1−x}O_{2} crystal is still unknown. Here, we report an extensive search for the high-pressure crystalline structures of the Si_{x}C_{1−x}O_{2} compound with various stoichiometric ratios (SiO_{2}:CO_{2} using an evolutionary algorithm. Based on the low-enthalpy structures obtained for each given stoichiometric ratio, several generic structural features and bonding characteristics of Si and C in the high-pressure phases are identified. The computed formation enthalpies show that the SiC_{2}O_{6} compound with a multislab three-dimensional (3D structure is energetically the most favorable at 20 GPa. Hence, a stable crystalline structure of the elusive Si_{x}C_{1−x}O_{2} compound under high pressure is predicted and awaiting future experimental confirmation. The SiC_{2}O_{6} crystal is an insulator with elastic constants comparable to typical hard solids, and it possesses nearly isotropic tensile strength as well as extremely low shear strength in the 2D plane, suggesting that the multislab 3D crystal is a promising solid lubricant. These valuable mechanical and electronic properties endow the SiC_{2}O_{6} crystal for potential applications in tribology and nanoelectronic devices, or as a stable solid-state form for CO_{2} sequestration.

  15. Interlayer exchange coupling, crystalline and magnetic structure in Fe/CsCl-FeSi multilayers grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Dekoster, J.; Degroote, S.; Meersschaut, J.; Moons, R.; Vantomme, A. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium); Bottyan, L.; Deak, L.; Szilagyi, E.; Nagy, D.L. [KFKI Research Institute for Particle and Nuclear Physics (Hungary); Baron, A.Q.R. [European Synchrotron Radiation Facility (France); Langouche, G. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium)

    1999-09-15

    Crystalline and magnetic structure as well as the interlayer exchange coupling in MBE grown Fe/FeSi multilayers are investigated. From conversion electron Moessbauer spectroscopy and ion beam channeling measurements the spacer FeSi material is found to be stabilized in a crystalline metastable metallic FeSi phase with the CsCl structure. Strong non-oscillatory interlayer exchange coupling is identified with magnetometry and synchrotron Moessbauer reflectometry. From the fits of the time spectrum and the resonant {phi}-{phi} scans a model for the sublayer magnetization of the multilayer is deduced.

  16. Governance structures for real estate transactions: Markets ...

    African Journals Online (AJOL)

    networks in the governance of real-estate transactions under three property rights regimes in .... empirical results of case study research exploring the relationship between .... collaboration (Entwistle, Bristow, Hines, Donaldson & Martin, 2007: 63-79). .... self-help group development (City of Windhoek, 2005). Of these,.

  17. Investigation of electrochemical behaviour and structure of oxide films on Ni60Nb40 alloy in amorphous and crystalline states

    International Nuclear Information System (INIS)

    Tomashov, N.D.; Skvortsova, I.B.; Gorodetskij, A.E.; Bogomolov, D.B.

    1987-01-01

    Electrochemical properties of Ni 60 Nb 40 alloy in amorphous and crystalline states as well as structure of oxide films forming during anode polarization in electrolytes on the surface of this alloy in both its states are investigated. It is stated that increased passive ability of Ni 60 Nb 40 alloys in amorphous state and high efficiency of chlorine evolution (2 n NaCl+HCl up to pH=0) anode process in comparison with crystalline state are defined by increased homogeneity and uniformity of passive films forming on amorphous alloy and their increased electron conductivity, that is in direct dependence on different structure of passive films forming on alloys in amorphous and crystalline states

  18. Crystalline oxides on semiconductors: A structural transition of the interface phase

    Science.gov (United States)

    Walker, F. J.; Buongiorno-Nardelli, Marco; Billman, C. A.; McKee, R. A.

    2004-03-01

    The growth of crystalline oxides on silicon is facilitated by the preparation of a surface phase of alkaline earth silicide. We describe how the surface phase serves as a precursor of the final interface phase using reflection high energy electron diffraction (RHEED) and density functional theory (DFT). RHEED intensity oscillations of the growth of BaSrO show layer-by-layer build up of the oxide on the interface. The 2x1 symmetry of the surface precursor persists up to 3 ML BaSrO coverage at which point a 1x1 pattern characteristic of the rock-salt structure of BaSrO is observed. Prior to 3 ML growth of alkaline earth oxide, DFT calculations and RHEED show that the surface precursor persists as the interface phase and induces large displacements in the growing oxide layer away from the rock-salt structure and having a 2x1 symmetry. These distortions of the rock-salt structure are energetically unfavorable and become more unfavorable as the oxide thickness increases. At 3 ML, the stability of the rock-salt structure drives a structural transformation of the film and the interface phase to a structure that is distinct from the surface precursor. Research sponsored jointly by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC and at the University of Tennessee under contract DE-FG02-01ER45937. Calculations have been performed on CCS supercomputers at Oak Ridge National Laboratory.

  19. Effects of grinding on certain crystalline structures; Influence de broyage sur quelques structures cristallines

    Energy Technology Data Exchange (ETDEWEB)

    Tekiz, Y [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-06-15

    The effects of grinding on certain crystalline substances (ZnO, ZnS, Sb), have been studied using X-ray diffraction and electron microscopy. The treatments were carried out using a vibrating mill which involves a higher energy than more conventional equipment such as ball-mills. Various methods have been proposed for determining the width of the intrinsic profile ({beta}). In the case of zinc oxide it has been shown possible to differentiate the respective contributions of the fragmentation effects and of lattice deformation effects to the overall effects of the grinding. For the two types of zinc sulfide (blend and Wurtzite) it has been shown that the blend-wurtzite) transition point is very much decreased, and that the rate of transformation of wurtzite into the stable form (blend) at room temperature is considerably increased by the grinding. In the case of antimony, the method of fragmentation shows the existence of an anisotropy which appears to be connected with easily cleavable planes. These observations show that in the case of grinding carried out with sufficient energy, the accumulation of this energy in the matter through the creation of lattice defects can accelerate the reaction rate or bring about physical transformations. (author) [French] Les effets du broyage sur certains corps cristallises (ZnO, ZnS, Sb) ont ete etudies a l'aide de la diffraction de rayons X et de la microscopie electronique. Les broyages ont ete effectues au moyen d'un vibro-broyeur qui met en jeu une energie superieure par rapport aux appareils plus conventionnels tels que les broyeurs a boulets. Diverses methodes concernant la determination de la largeur du profil intrinseque ({beta}) ont ete proposees. Dans le cas de l'oxyde de zinc on a montre la possibilite de differencier les contributions de l'effet de fragmentation et celui de perturbation du reseau, a l'effet total du broyage. Avec les deux varietes de sulfure de zinc (blende et Wurtzite) on a montre que le point de

  20. Electronic Structure of the Metastable Epitaxial Rock-Salt SnSe {111} Topological Crystalline Insulator

    Directory of Open Access Journals (Sweden)

    Wencan Jin

    2017-10-01

    Full Text Available Topological crystalline insulators have been recently predicted and observed in rock-salt structure SnSe {111} thin films. Previous studies have suggested that the Se-terminated surface of this thin film with hydrogen passivation has a reduced surface energy and is thus a preferred configuration. In this paper, synchrotron-based angle-resolved photoemission spectroscopy, along with density functional theory calculations, is used to demonstrate that a rock-salt SnSe {111} thin film epitaxially grown on Bi_{2}Se_{3} has a stable Sn-terminated surface. These observations are supported by low-energy electron diffraction (LEED intensity-voltage measurements and dynamical LEED calculations, which further show that the Sn-terminated SnSe {111} thin film has undergone a surface structural relaxation of the interlayer spacing between the Sn and Se atomic planes. In sharp contrast to the Se-terminated counterpart, the observed Dirac surface state in the Sn-terminated SnSe {111} thin film is shown to yield a high Fermi velocity, 0.50×10^{6}  m/s, which suggests a potential mechanism of engineering the Dirac surface state of topological materials by tuning the surface configuration.

  1. Learning structure-property relationship in crystalline materials: A study of lanthanide-transition metal alloys

    Science.gov (United States)

    Pham, Tien-Lam; Nguyen, Nguyen-Duong; Nguyen, Van-Doan; Kino, Hiori; Miyake, Takashi; Dam, Hieu-Chi

    2018-05-01

    We have developed a descriptor named Orbital Field Matrix (OFM) for representing material structures in datasets of multi-element materials. The descriptor is based on the information regarding atomic valence shell electrons and their coordination. In this work, we develop an extension of OFM called OFM1. We have shown that these descriptors are highly applicable in predicting the physical properties of materials and in providing insights on the materials space by mapping into a low embedded dimensional space. Our experiments with transition metal/lanthanide metal alloys show that the local magnetic moments and formation energies can be accurately reproduced using simple nearest-neighbor regression, thus confirming the relevance of our descriptors. Using kernel ridge regressions, we could accurately reproduce formation energies and local magnetic moments calculated based on first-principles, with mean absolute errors of 0.03 μB and 0.10 eV/atom, respectively. We show that meaningful low-dimensional representations can be extracted from the original descriptor using descriptive learning algorithms. Intuitive prehension on the materials space, qualitative evaluation on the similarities in local structures or crystalline materials, and inference in the designing of new materials by element substitution can be performed effectively based on these low-dimensional representations.

  2. Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

    Science.gov (United States)

    ShunLi Shang; Louis G. Hector Jr.; Paul Saxe; Zi-Kui Liu; Robert J. Moon; Pablo D. Zavattieri

    2014-01-01

    Anisotropy and temperature dependence of structural, thermodynamic and elastic properties of crystalline cellulose Iβ were computed with first-principles density functional theory (DFT) and a semi-empirical correction for van der Waals interactions. Specifically, we report the computed temperature variation (up to 500...

  3. Determination of the crystalline structure of scale solids from the 16H evaporator gravity drain line to tank 38H

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L. N. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-10-01

    August 2015, scale solids from the 16H Evaporator Gravity Drain Line (GDL) to the Tank 38H were delivered to SRNL for analysis. The desired analytical goal was to identify and confirm the crystalline structure of the scale material and determine if the form of the aluminosilicate mineral was consistent with previous analysis of the scale material from the GDL.

  4. Crystalline structures and crystallization behaviors of poly(L-lactide) in poly(L-lactide)/graphene nanosheet composites

    DEFF Research Database (Denmark)

    Li, Jingqing; Xiao, Peitao; Li, Hongfei

    2015-01-01

    Poly(L-lactide) (PLLA)/graphene nanosheet (GNS) composites and pure PLLA were prepared by the solution blending method. Crystalline structures and crystallization behaviors of PLLA in the composite were investigated by XRD, POM, SAXS, and DSC. It was found that α′ form PLLA formation seemed...

  5. Electronic structure of indium-tungsten-oxide alloys and their energy band alignment at the heterojunction to crystalline silicon

    Science.gov (United States)

    Menzel, Dorothee; Mews, Mathias; Rech, Bernd; Korte, Lars

    2018-01-01

    The electronic structure of thermally co-evaporated indium-tungsten-oxide films is investigated. The stoichiometry is varied from pure tungsten oxide to pure indium oxide, and the band alignment at the indium-tungsten-oxide/crystalline silicon heterointerface is monitored. Using in-system photoelectron spectroscopy, optical spectroscopy, and surface photovoltage measurements, we show that the work function of indium-tungsten-oxide continuously decreases from 6.3 eV for tungsten oxide to 4.3 eV for indium oxide, with a concomitant decrease in the band bending at the hetero interface to crystalline silicon than indium oxide.

  6. Precambrian evolution of the Salalah Crystalline Basement from structural analysis and 40Ar/39Ar geochronology

    Science.gov (United States)

    Al-Doukhi, Hanadi Abulateef

    The Salalah Crystalline Basement (SCB) is the largest Precambrian exposure in Oman located on the southern margin of the Arabian Plate at the Arabian Sea shore. This work used remote sensing, detailed structural analysis and the analysis of ten samples using 40Ar/39Ar age dating to establish the Precambrian evolution of the SCB by focusing on its central and southwestern parts. This work found that the SCB evolved through four deformational events that shaped its final architecture: (1) Folding and thrusting event that resulted in the emplacement of the Sadh complex atop the Juffa complex. This event resulted in the formation of possibly N-verging nappe structure; (2) Regional folding event around SE- and SW-plunging axes that deformed the regional fabric developed during the N-verging nappe structure and produced map-scale SE- and SW-plunging antiforms shaping the complexes into a semi-dome structure; (3) Strike-slip shearing event that produced a conjugate set of NE-trending sinistral and NW-trending dextral strike-slip shear zones; and (4) Localized SE-directed gravitational collapse manifested by top-to-the-southeast kinematic indicators. Deformation within the SCB might have ceased by 752.2+/-2.7 Ma as indicated by an age given by an undeformed granite. The thermochron of samples collected throughout the SCB complexes shows a single cooling event that occurred between about 800 and 760 Ma. This cooling event could be accomplished by crustal exhumation resulting in regional collapse following the prolonged period of the contractional deformation of the SCB. This makes the SCB a possible metamorphic core complex.

  7. Structure and selectivity trends in crystalline urea-functionalized anion-binding capsules

    Energy Technology Data Exchange (ETDEWEB)

    Rajbanshi, Arbin [Oak Ridge National Laboratory (ORNL); Custelcean, Radu [ORNL

    2012-01-01

    A tripodal trisurea receptor (L1) persistently self-assembles with various divalent oxoanion salts M{sub n}X (M = Na, K, Mg, Ca, Cd; X = SO{sub 4}{sup 2-}, SO{sub 3}{sup 2-}, SeO{sub 4}{sup 2-}, CrO{sub 4}{sup 2-}) into isomorphous series of crystalline frameworks in three different compositions: MX(L1){sub 2}(H{sub 2}O){sub 6} (M = Mg, Ca, Cd) (1), Na{sub 2}X(L1){sub 2}(H{sub 2}O){sub 4} (2) and K{sub 2}X(L1){sub 2}(H{sub 2}O){sub 2} (3). Single-crystal X-ray structural analysis revealed that all three series of structures adopt a NaCl-type topology, consisting of alternating anionic X(L1){sub 2}{sup 2-} capsules and M(H{sub 2}O){sub 6}{sup 2+}, Na{sub 2}(H{sub 2}O){sub 4}{sup 2+} or K{sub 2}(H{sub 2}O){sub 2}{sup 2+} hydrated cations. The capsules provide a complementary environment to tetrahedral oxoanions via 12 hydrogen bonds from six urea groups lining the cavities of the capsules. The persistent formation of the capsules facilitated the investigation of structural trends and structure-selectivity relationships across series 1-3. First, it was found that the size of the capsules is relatively unresponsive to the change in the encapsulated anion, resulting in good shape and size recognition in the separation of anions by competitive crystallizations. Second, it was found that the size of the capsules varies linearly with the size of the external cation, which provides a way for tuning the anion encapsulation selectivity. However, no straightforward dependence was found between the size of the capsules and the relative selectivity for different-sized tetrahedral oxoanions in competitive crystallizations.

  8. Effect of the coupling between electronic structure and crystalline structure on some properties of transition metals

    International Nuclear Information System (INIS)

    Nastar, M.

    1994-01-01

    The elastic constants, energetic stabilities and vacancy formation energies in transition metals are calculated within a Tight Binding model. In order to outline the effect of the electronic structure, these properties are represented as functions of band filling. The variation of the shear elastic constants of hexagonal close packed (HCP), body centered cubic (BCC) and face centered cubic (FCC) structures, is in contrast with the roughly parabolic behavior of bulk modulus. The general trends are in very good agreement with available experimental and 'ab initio' data. The vacancy formation energy in the BCC structure shows strong deviations from bell shape behavior with a maximum corresponding approximately to the band filling of group 6. This band filling effect contributes to the noticeable decrease of the self diffusion rate between group 4 and group 6. We demonstrate that the abrupt increase of the C' elastic constant, the NT 1 (0.-1.1) phonon frequency, the energy differences between BCC and HCP and between FCC and HCP as well as the vacancy formation energy, that occurs when going from Zr to Mo, is related to the presence of a pseudo-gap in the density of states of the BCC structure. Using the recursion method, we show that the general trends of these properties are correctly reproduced when considering only a few moments of the density of states (about 6). On the other hand, details such as the elastic constant singularities, are displayed only with an exact calculation of the density of states. (Author). 173 refs., 84 figs., 5 tabs

  9. Proceedings of the international workshop on structural analyses bridging over between amorphous and crystalline materials (SABAC2008)

    International Nuclear Information System (INIS)

    Shamoto, Shin-ichi; Kodama, Katsuaki

    2008-07-01

    International workshop entitled 'Structural Analyses Bridging over between Amorphous and Crystalline Materials' (SABAC2008) was held on January 10 and 11, 2007 at Techno Community Square 'RICOTTI' in Tokai. Amorphous and crystalline materials are studied historically by various approaches. Recent industrial functional materials such as optical memory material, thermoelectric material, hydrogen storage material, and ionic conductor have intrinsic atomic disorders in their lattices. These local lattice disorders cannot be studied by conventional crystal structure analyses such as Rietveld analysis. Similar difficulty also exists in the structure analysis of nanomaterials. In the workshop, new approaches to the structural analysis on these materials were discussed. This report includes abstracts and materials of the presentations in the workshop. (author)

  10. Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

    Directory of Open Access Journals (Sweden)

    Ken-ichi Saitoh

    2015-01-01

    Full Text Available To clarify the nanosized mechanism of good lubrication in copper disulfide (Cu2S crystal which is used as a sliding material, atomistic modeling of Cu2S is conducted and molecular dynamics (MD simulations are performed in this paper. The interatomic interaction between atoms and crystalline structure in the phase of hexagonal crystal of Cu2S are carefully estimated by first-principle calculations. Then, approximating these interactions, we originally construct a conventional interatomic potential function of Cu2S crystal in its hexagonal phase. By using this potential function, we perform MD simulation of Cu2S crystal which is subjected to shear loading parallel to the basal plane. We compare results obtained by different conditions of sliding directions. Unlike ordinary hexagonal metallic crystals, it is found that the easy-glide direction does not always show small shear stress for Cu2S crystal. Besides, it is found that shearing velocity affects largely the magnitude of averaged shear stress. Generally speaking, higher velocity results in higher resistance against shear deformation. As a result, it is understood that Cu2S crystal exhibits somewhat liquid-like (amorphous behavior in sliding condition and shear resistance increases with increase of sliding speed.

  11. Direct Visualisation of the Structural Transformation between the Lyotropic Liquid Crystalline Lamellar and Bicontinuous Cubic Mesophase.

    Science.gov (United States)

    Tran, Nhiem; Zhai, Jiali; Conn, Charlotte E; Mulet, Xavier; Waddington, Lynne J; Drummond, Calum J

    2018-05-29

    The transition between the lyotropic liquid crystalline lamellar and the bicontinuous cubic mesophase drives multiple fundamental cellular processes involving changes in cell membrane topology including endocytosis and membrane budding. While several theoretical models have been proposed to explain this dynamic transformation, experimental validation of these models has been challenging due to the short lived nature of the intermediates present during the phase transition. Herein, we report the direct observation of a lamellar to bicontinuous cubic phase transition in nanoscale dispersions using a combination of cryogenic transmission electron microscopy and static small angle X-ray scattering. The results represent the first experimental confirmation of a theoretical model which proposed that the bicontinuous cubic phase originates from the centre of a lamellar vesicle, then propagates outward via the formation of inter-lamellar attachments and stalks. The observation was possible due to the precise control of the lipid composition to place the dispersion systems at the phase boundary of a lamellar and a cubic phase, allowing for the creation of long-lived structural intermediates. By surveying the nanoparticles using cryogenic transmission electron microscopy, a complete phase transition sequence was established.

  12. Verification of the shallow seismic crustal structure of the western Krušné Hory crystalline unit, Czech Republic

    Czech Academy of Sciences Publication Activity Database

    Novotný, O.; Málek, Jiří; Žanda, Libor

    2013-01-01

    Roč. 57, č. 3 (2013), s. 507-519 ISSN 0039-3169 R&D Projects: GA ČR GAP210/12/2336; GA AV ČR IAA300120905 Institutional support: RVO:67985891 Keywords : West Bohemia * Krušné hory * crystalline unit * shallow structure Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.752, year: 2013

  13. Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor: structure, tail states and strain effects

    International Nuclear Information System (INIS)

    De Jamblinne de Meux, A; Genoe, J; Heremans, P; Pourtois, G

    2015-01-01

    We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen–metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced

  14. Methods and uncertainty estimations of 3-D structural modelling in crystalline rocks: a case study

    Directory of Open Access Journals (Sweden)

    R. Schneeberger

    2017-09-01

    Full Text Available Exhumed basement rocks are often dissected by faults, the latter controlling physical parameters such as rock strength, porosity, or permeability. Knowledge on the three-dimensional (3-D geometry of the fault pattern and its continuation with depth is therefore of paramount importance for applied geology projects (e.g. tunnelling, nuclear waste disposal in crystalline bedrock. The central Aar massif (Central Switzerland serves as a study area where we investigate the 3-D geometry of the Alpine fault pattern by means of both surface (fieldwork and remote sensing and underground ground (mapping of the Grimsel Test Site information. The fault zone pattern consists of planar steep major faults (kilometre scale interconnected with secondary relay faults (hectometre scale. Starting with surface data, we present a workflow for structural 3-D modelling of the primary faults based on a comparison of three extrapolation approaches based on (a field data, (b Delaunay triangulation, and (c a best-fitting moment of inertia analysis. The quality of these surface-data-based 3-D models is then tested with respect to the fit of the predictions with the underground appearance of faults. All three extrapolation approaches result in a close fit (> 10 % when compared with underground rock laboratory mapping. Subsequently, we performed a statistical interpolation based on Bayesian inference in order to validate and further constrain the uncertainty of the extrapolation approaches. This comparison indicates that fieldwork at the surface is key for accurately constraining the geometry of the fault pattern and enabling a proper extrapolation of major faults towards depth. Considerable uncertainties, however, persist with respect to smaller-sized secondary structures because of their limited spatial extensions and unknown reoccurrence intervals.

  15. Methods and uncertainty estimations of 3-D structural modelling in crystalline rocks: a case study

    Science.gov (United States)

    Schneeberger, Raphael; de La Varga, Miguel; Egli, Daniel; Berger, Alfons; Kober, Florian; Wellmann, Florian; Herwegh, Marco

    2017-09-01

    Exhumed basement rocks are often dissected by faults, the latter controlling physical parameters such as rock strength, porosity, or permeability. Knowledge on the three-dimensional (3-D) geometry of the fault pattern and its continuation with depth is therefore of paramount importance for applied geology projects (e.g. tunnelling, nuclear waste disposal) in crystalline bedrock. The central Aar massif (Central Switzerland) serves as a study area where we investigate the 3-D geometry of the Alpine fault pattern by means of both surface (fieldwork and remote sensing) and underground ground (mapping of the Grimsel Test Site) information. The fault zone pattern consists of planar steep major faults (kilometre scale) interconnected with secondary relay faults (hectometre scale). Starting with surface data, we present a workflow for structural 3-D modelling of the primary faults based on a comparison of three extrapolation approaches based on (a) field data, (b) Delaunay triangulation, and (c) a best-fitting moment of inertia analysis. The quality of these surface-data-based 3-D models is then tested with respect to the fit of the predictions with the underground appearance of faults. All three extrapolation approaches result in a close fit ( > 10 %) when compared with underground rock laboratory mapping. Subsequently, we performed a statistical interpolation based on Bayesian inference in order to validate and further constrain the uncertainty of the extrapolation approaches. This comparison indicates that fieldwork at the surface is key for accurately constraining the geometry of the fault pattern and enabling a proper extrapolation of major faults towards depth. Considerable uncertainties, however, persist with respect to smaller-sized secondary structures because of their limited spatial extensions and unknown reoccurrence intervals.

  16. Birnessite-type MnO2 nanosheets with layered structures under high pressure: elimination of crystalline stacking faults and oriented laminar assembly.

    Science.gov (United States)

    Sun, Yugang; Wang, Lin; Liu, Yuzi; Ren, Yang

    2015-01-21

    Squeezing out crystalline stacking faults: Birnessite-type δ-phase MnO2 microflowers containing interconnected ultrathin nanosheets are synthesized through a microwave-assisted hydrothermal process and exhibit a layered crystalline structure with significant stacking faults. Compressing these MnO2 nanosheets in a diamond anvil cell with high pressure up to tens of GPa effectively eliminates the crystalline stacking faults. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Structure of a Highly Active Cephalopod S-crystallin Mutant: New Molecular Evidence for Evolution from an Active Enzyme into Lens-Refractive Protein.

    Science.gov (United States)

    Tan, Wei-Hung; Cheng, Shu-Chun; Liu, Yu-Tung; Wu, Cheng-Guo; Lin, Min-Han; Chen, Chiao-Che; Lin, Chao-Hsiung; Chou, Chi-Yuan

    2016-08-08

    Crystallins are found widely in animal lenses and have important functions due to their refractive properties. In the coleoid cephalopods, a lens with a graded refractive index provides good vision and is required for survival. Cephalopod S-crystallin is thought to have evolved from glutathione S-transferase (GST) with various homologs differentially expressed in the lens. However, there is no direct structural information that helps to delineate the mechanisms by which S-crystallin could have evolved. Here we report the structural and biochemical characterization of novel S-crystallin-glutathione complex. The 2.35-Å crystal structure of a S-crystallin mutant from Octopus vulgaris reveals an active-site architecture that is different from that of GST. S-crystallin has a preference for glutathione binding, although almost lost its GST enzymatic activity. We've also identified four historical mutations that are able to produce a "GST-like" S-crystallin that has regained activity. This protein recapitulates the evolution of S-crystallin from GST. Protein stability studies suggest that S-crystallin is stabilized by glutathione binding to prevent its aggregation; this contrasts with GST-σ, which do not possess this protection. We suggest that a tradeoff between enzyme activity and the stability of the lens protein might have been one of the major driving force behind lens evolution.

  18. The significance of crystalline/chrysalis structures in the diagnosis of melanocytic and nonmelanocytic lesions.

    Science.gov (United States)

    Balagula, Yevgeniy; Braun, Ralph P; Rabinovitz, Harold S; Dusza, Stephen W; Scope, Alon; Liebman, Tracey N; Mordente, Ines; Siamas, Katherine; Marghoob, Ashfaq A

    2012-08-01

    Crystalline/chrysalis structures (CS) are white shiny streaks that can only be seen with polarized dermatoscopy. We sought to estimate the prevalence and assess the clinical significance of CS in melanocytic and nonmelanocytic lesions. This was a prospective observational study in which dermatoscopic assessment of lesions was recorded in consecutive patients examined during a 6-month period. In addition, a data set of biopsy-proven melanomas was retrospectively analyzed. In all, 11,225 lesions in 881 patients were prospectively examined. Retrospectively, 229 melanomas imaged with polarized dermatoscopy were analyzed. In the prospective data set, a median of 12.7 lesions (range, 1-54) were evaluated per patient. None of clinically diagnosed Clark nevi (n = 9750, 86.8%) demonstrated CS. Overall, CS were observed in 206 (1.8%) lesions, most commonly dermatofibromas and scars among nonbiopsied lesions. A total of 265 (2.4%) lesions were biopsied, including 20 melanomas and 36 nevi. Among biopsied malignant lesions, CS were most commonly observed in basal cell carcinoma (47.6%) and invasive melanomas (84.6%). Melanomas were more likely to have CS than biopsied nevi (odds ratio = 9.7, 95% confidence interval 2.7-34.1). In the retrospective data set, CS were more commonly observed among invasive melanomas (41%) compared with in situ melanomas (17%) (odds ratio = 3.4, 95% confidence interval 1.9-6.3, P < .001). The prevalence of CS correlated with increased melanoma thickness (P = .001). Biopsied lesions represent a small percentage of the total number of lesions evaluated. Among biopsied malignant lesions, CS are most commonly observed in basal cell carcinoma and invasive melanomas and rarely seen in nevi. In melanoma, CS may reflect increased tumor thickness and progression. Copyright © 2011 American Academy of Dermatology, Inc. Published by Mosby, Inc. All rights reserved.

  19. Direct assembly of in situ templated CdSe quantum dots via crystalline lamellae structure of polyamide 66

    Energy Technology Data Exchange (ETDEWEB)

    Cheval, Nicolas; Brooks, Richard [University of Nottingham, Division of Materials, Mechanics and Structures, Faculty of Engineering (United Kingdom); Fahmi, Amir, E-mail: Amir.Fahmi@hochschule-Rhein-waal.de [Rhein-Waal University of Applied Sciences, Faculty of Technology and Bionics (Germany)

    2012-03-15

    A simple concept is proposed for templating in situ synthesised CdSe quantum dots (QDs) into an organised nano-pattern using the crystalline lamellae structure of polyamide 66 (PA66). The morphology obtained for PA66 and the hybrid material on Si/SiO{sub x} solid substrate was characterised by means of atomic force microscope. Controlling the PA66 concentration in solution and the organic-inorganic interactions are found to be the keys factors to direct the assembly of CdSe QDs along the PA66 linear crystalline structure. This simple approach could be opened a new avenue for a large spectrum of innovative high-tech applications.

  20. Role of the bond defect for structural transformations between crystalline and amorphous silicon: A molecular-dynamics study

    International Nuclear Information System (INIS)

    Stock, D. M.; Weber, B.; Gaertner, K.

    2000-01-01

    The relation between the bond defect, which is a topological defect, and structural transformations between crystalline and amorphous silicon, is studied by molecular-dynamics simulations. The investigation of 1-keV boron implantation into crystalline silicon proves that the bond defect can also be generated directly by collisional-induced bond switching in addition to its formation by incomplete recombination of primary defects. This supports the assumption that the bond defect may play an important role in the amorphization process of silicon by light ions. The analysis of the interface between (001) silicon and amorphous silicon shows that there are two typical defect configurations at the interface which result from two different orientations of the bond defect with respect to the interface. Thus the bond defect appears to be a characteristic structural feature of the interface. Moreover, annealing results indicate that the bond defect acts as a growth site for interface-mediated crystallization

  1. A novel dominant D109A CRYAB mutation in a family with myofibrillar myopathy affects αB-crystallin structure

    Directory of Open Access Journals (Sweden)

    Jakub P. Fichna

    2017-06-01

    Molecular modeling in accordance with muscle biopsy microscopic analyses predicted that D109A mutation influence both structure and function of CRYAB due to decreased stability of oligomers leading to aggregate formation. In consequence disrupted sarcomere cytoskeleton organization might lead to muscle pathology. We also suggest that mutated RQDE sequence of CRYAB could impair CRYAB chaperone-like activity and promote aggregation of lens crystallins.

  2. Direct writing of large-area micro/nano-structural arrays on single crystalline germanium substrates using femtosecond lasers

    Science.gov (United States)

    Li, Lin; Wang, Jun

    2017-06-01

    A direct writing technique for fabricating micro/nano-structural arrays without using a multi-scanning process, multi-beam interference, or any assisted microlens arrays is reported. Various sub-wavelength micro/nano-structural arrays have been directly written on single crystalline germanium substrate surfaces using femtosecond laser pulses. The evolution of the multiscale surface morphology from periodic micro/nano-structures to V-shaped microgrooves has been achieved, and the relationship between array characteristics and laser polarization directions has been discussed. The self-organization model agrees well with the experimental results in this study.

  3. Modified crystalline structure of silane-crosslinked polyethylene in the proximity of nanodiamonds

    Czech Academy of Sciences Publication Activity Database

    Roumeli, E.; Brus, Jiří; Policianová, Olivia; Chrissafis, K.; Bikiaris, D. N.

    2016-01-01

    Roč. 301, č. 4 (2016), s. 441-450 ISSN 1438-7492 R&D Projects: GA ČR(CZ) GA13-29009S Institutional support: RVO:61389013 Keywords : crosslinked polyethylene * crystalline conformation * deformation Subject RIV: JI - Composite Materials Impact factor: 2.863, year: 2016

  4. Structure, morphology, and magnetic properties of Fe nanoparticles deposited onto single-crystalline surfaces

    Directory of Open Access Journals (Sweden)

    Armin Kleibert

    2011-01-01

    Full Text Available Background: Magnetic nanostructures and nanoparticles often show novel magnetic phenomena not known from the respective bulk materials. In the past, several methods to prepare such structures have been developed – ranging from wet chemistry-based to physical-based methods such as self-organization or cluster growth. The preparation method has a significant influence on the resulting properties of the generated nanostructures. Taking chemical approaches, this influence may arise from the chemical environment, reaction kinetics and the preparation route. Taking physical approaches, the thermodynamics and the kinetics of the growth mode or – when depositing preformed clusters/nanoparticles on a surface – the landing kinetics and subsequent relaxation processes have a strong impact and thus need to be considered when attempting to control magnetic and structural properties of supported clusters or nanoparticles.Results: In this contribution we focus on mass-filtered Fe nanoparticles in a size range from 4 nm to 10 nm that are generated in a cluster source and subsequently deposited onto two single crystalline substrates: fcc Ni(111/W(110 and bcc W(110. We use a combined approach of X-ray magnetic circular dichroism (XMCD, reflection high energy electron diffraction (RHEED and scanning tunneling microscopy (STM to shed light on the complex and size-dependent relation between magnetic properties, crystallographic structure, orientation and morphology. In particular XMCD reveals that Fe particles on Ni(111/W(110 have a significantly lower (higher magnetic spin (orbital moment compared to bulk iron. The reduced spin moments are attributed to the random particle orientation being confirmed by RHEED together with a competition of magnetic exchange energy at the interface and magnetic anisotropy energy in the particles. The RHEED data also show that the Fe particles on W(110 – despite of the large lattice mismatch between iron and tungsten – are

  5. Optical properties of zirconium oxynitride films: The effect of composition, electronic and crystalline structures

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, P. [Centro de Física, Universidade do Minho, 4710-057 Braga (Portugal); Borges, J., E-mail: joelborges@fisica.uminho.pt [Centro de Física, Universidade do Minho, 4710-057 Braga (Portugal); Department of Control Engineering, Faculty of Electrical Engineering, Czech Technical University in Prague, Technická 2, Prague 6 (Czech Republic); Rodrigues, M.S. [Centro de Física, Universidade do Minho, 4710-057 Braga (Portugal); Barradas, N.P. [Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, E.N. 10 (km 139,7), 2695-066 Bobadela LRS (Portugal); Alves, E. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Espinós, J.P.; González-Elipe, A.R. [Instituto de Ciencia de Materiales de Sevilla (CSIC-University Sevilla), Avda. Américo Vespucio 49, 41092 Sevilla (Spain); Cunha, L.; Marques, L.; Vasilevskiy, M.I.; Vaz, F. [Centro de Física, Universidade do Minho, 4710-057 Braga (Portugal)

    2015-12-15

    Highlights: • Optical behaviour of ZrO{sub x}N{sub y} films were correlated with structural properties. • A continuous depopulation of the d-band and an opening of an energy gap was observed. • Drude–Lorentz parameters changed for the metallic samples. • Optical bandgap of the films increases with non-metallic elements incorporation. - Abstract: This work is devoted to the investigation of zirconium oxynitride (ZrO{sub x}N{sub y}) films with varied optical responses prompted by the variations in their compositional and structural properties. The films were prepared by dc reactive magnetron sputtering of Zr, using Ar and a reactive gas mixture of N{sub 2} + O{sub 2} (17:3). The colour of the films changed from metallic-like, very bright yellow-pale and golden yellow, for low gas flows to red-brownish for intermediate gas flows. Associated to this colour change there was a significant decrease of brightness. With further increase of the reactive gas flow, the colour of the samples changed from red-brownish to dark blue or even to interference colourations. The variations in composition disclosed the existence of four different zones, which were found to be closely related with the variations in the crystalline structure. XRD analysis revealed the change from a B1 NaCl face-centred cubic zirconium nitride-type phase for films prepared with low reactive gas flows, towards a poorly crystallized over-stoichiometric nitride phase, which may be similar to that of Zr{sub 3}N{sub 4} with some probable oxygen inclusions within nitrogen positions, for films prepared with intermediate reactive gas flows. For high reactive gas flows, the films developed an oxynitride-type phase, similar to that of γ-Zr{sub 2}ON{sub 2} with some oxygen atoms occupying some of the nitrogen positions, evolving to a ZrO{sub 2} monoclinic type structure within the zone where films were prepared with relatively high reactive gas flows. The analysis carried out by reflected electron energy

  6. Crystalline structure of pulverized dental calculus induces cell death in oral epithelial cells.

    Science.gov (United States)

    Ziauddin, S M; Yoshimura, A; Montenegro Raudales, J L; Ozaki, Y; Higuchi, K; Ukai, T; Kaneko, T; Miyazaki, T; Latz, E; Hara, Y

    2018-06-01

    calculus was significantly inhibited by cytochalasin D, z-YVAD-fmk and glyburide, indicating NLRP3 inflammasome involvement. In permeability assays, dental calculus attenuated the barrier function of HSC-2 cell monolayers. Dental calculus induces pyroptotic cell death in human oral epithelial cells and the crystalline structure plays a major role in this process. Oral epithelial cell death induced by dental calculus might be important for the etiology of periodontitis. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. Growth, structure and magnetic properties of single crystalline Fe/CoO/Ag(001) bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Abrudan, R.M.

    2007-07-16

    The structural and magnetic properties of epitaxially deposited single-crystalline CoO layers and Fe/CoO bilayers on Ag(001) were investigated. CoO films on Ag(001) exhibit (1 x 1) Low Energy Electron Diffraction (LEED) patterns similar to the clean Ag(001) substrate. The vertical interlayer spacing of the CoO films, deduced from a kinematic analysis of LEED I(E) curves, is a {sub perpendicular} {sub to} /2=2.17 Aa, slightly expanded along the film normal. Scanning Tunneling Microscopy (STM) show a big improvement in the surface roughness after annealing the CoO films at 750 K in oxygen atmosphere. Magnetic measurements using the magneto-optical Kerr effect (MOKE) show a characteristic increase of the coercive field when the Fe/CoO bilayer system is cooled down from room temperature to 150 K. The ordering temperature for the antiferromagnetic layer is in the same range as the Neel temperature for bulk CoO (T{sub N}=290 K). X-ray absorption spectroscopy was employed to probe magnetic and electronic properties with elemental selectivity. Absorption spectra taken from bilayers with different amounts of deposited Fe show only a weak indication for the formation of Fe oxide at the Fe/CoO interface (0.3 ML Fe). From the spectral shape it is concluded that an FeO type of oxide is formed. X-ray Magnetic Circular Dichroism (XMCD) measurements exhibit a sizeable induced ferromagnetic signal at the Co L{sub 2,3} absorption edge, corresponding to an interface layer of 1.1 ML in which the magnetic spins couple with the Fe layer. The angular dependence of the X-ray Magnetic Linear Dichroism (XMLD) and X-ray Magnetic Circular Dichroism XMCD at both the Co and Fe L{sub 2,3} edges shows the orientation of the Co and Fe moments in the bilayers with respect to the crystallographic direction. PhotoElectron Emission Microscope (PEEM) is used to image each ferromagnetic and antiferromagnetic layer separately. Magnetic contrast due to the induced magnetic spins at the interface is also

  8. Structure-Property Relationships in Polymer Derived Amorphous/Nano-Crystalline Silicon Carbide for Nuclear Applications

    International Nuclear Information System (INIS)

    Zunjarrao, Suraj C.; Singh, Abhishek K.; Singh, Raman P.

    2006-01-01

    Silicon carbide (SiC) is a promising candidate for several applications in nuclear reactors owing to its high thermal conductivity, high melting temperature, good chemical stability, and resistance to swelling under heavy ion bombardment. However, fabricating SiC by traditional powder processing route generally requires very high temperatures for pressureless sintering. Polymer derived ceramic materials offer unique advantages such as ability to fabricate net shaped components, incorporate reinforcements and relatively low processing temperatures. Furthermore, for SiC based ceramics fabricated using polymer infiltration process (PIP), the microstructure can be tailored by controlling the processing parameters, to get an amorphous, nanocrystalline or crystalline SiC. In this work, fabrication of polymer derived amorphous and nano-grained SiC is presented and its application as an in-core material is explored. Monolithic SiC samples are fabricated by controlled pyrolysis of allyl-hydrido-poly-carbo-silane (AHPCS) under inert atmosphere. Chemical changes, phase transformations and microstructural changes occurring during the pyrolysis process are studied as a function of the processing temperature. Polymer cross-linking and polymer to ceramic conversion is studied using infrared spectroscopy (FTIR). Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) are performed to monitor the mass loss and phase change as a function of temperature. X-ray diffraction studies are done to study the intermediate phases and microstructural changes. Variation in density is carefully monitored as a function of processing temperature. Owing to shrinkage and gas evolution during pyrolysis, precursor derived ceramics are inherently porous and composite fabrication typically involves repeated cycles of polymer re-infiltration and pyrolysis. However, there is a limit to the densification that can be achieved by this method and porosity in the final materials presents

  9. Structure of 1,5-Anhydro-D-Fructose: X-ray Analysis of Crystalline Acetylated Dimeric Forms

    DEFF Research Database (Denmark)

    Lundt, Inge; Andersen, Søren Møller; Marcussen, Jan

    1998-01-01

    Acetylation of 1,5-anhydro-D-fructose under acidic conditions gave two crystalline acetylated dimeric forms, which by X-ray analysis were shown to be diastereomeric spiroketals formed between C-2 and C-2´/C-3´. The structures of the compounds differed only at the configuration at C-2. Acetylation...... or benzoylation of 1,5-anhydro-D-fructose in pyridine yielded 3,6-di-O-acetyl-1,5-anhydro-4-deoxy-D-glycero-hex-3-enos-2-ulopyra -nose or crystalline 1,5-anhydro-3,6-di-O-benzoyl-4-deoxy-D-glycero-hex-3-enos-2-ulo-py ranose....

  10. On the processing-structure-property relationship of ITO layers deposited on crystalline and amorphous Si

    International Nuclear Information System (INIS)

    Diplas, S.; Ulyashin, A.; Maknys, K.; Gunnaes, A.E.; Jorgensen, S.; Wright, D.; Watts, J.F.; Olsen, A.; Finstad, T.G.

    2007-01-01

    Indium-tin-oxide (ITO) antireflection coatings were deposited on crystalline Si (c-Si), amorphous hydrogenated Si (a-Si:H) and glass substrates at room temperature (RT), 160 deg. C and 230 deg. C by magnetron sputtering. The films were characterised using atomic force microscopy, transmission electron microscopy, angle resolved X-ray photoelectron spectroscopy, combined with resistance and transmittance measurements. The conductivity and refractive index as well as the morphology of the ITO films showed a significant dependence on the processing conditions. The films deposited on the two different Si substrates at higher temperatures have rougher surfaces compared to the RT ones due to the development of crystallinity and growth of columnar grains

  11. First Principles Modeling of Phonon Heat Conduction in Nanoscale Crystalline Structures

    International Nuclear Information System (INIS)

    Mazumder, Sandip; Li, Ju

    2010-01-01

    The inability to remove heat efficiently is currently one of the stumbling blocks toward further miniaturization and advancement of electronic, optoelectronic, and micro-electro-mechanical devices. In order to formulate better heat removal strategies and designs, it is first necessary to understand the fundamental mechanisms of heat transport in semiconductor thin films. Modeling techniques, based on first principles, can play the crucial role of filling gaps in our understanding by revealing information that experiments are incapable of. Heat conduction in crystalline semiconductor films occurs by lattice vibrations that result in the propagation of quanta of energy called phonons. If the mean free path of the traveling phonons is larger than the film thickness, thermodynamic equilibrium ceases to exist, and thus, the Fourier law of heat conduction is invalid. In this scenario, bulk thermal conductivity values, which are experimentally determined by inversion of the Fourier law itself, cannot be used for analysis. The Boltzmann Transport Equation (BTE) is a powerful tool to treat non-equilibrium heat transport in thin films. The BTE describes the evolution of the number density (or energy) distribution for phonons as a result of transport (or drift) and inter-phonon collisions. Drift causes the phonon energy distribution to deviate from equilibrium, while collisions tend to restore equilibrium. Prior to solution of the BTE, it is necessary to compute the lifetimes (or scattering rates) for phonons of all wave-vector and polarization. The lifetime of a phonon is the net result of its collisions with other phonons, which in turn is governed by the conservation of energy and momentum during the underlying collision processes. This research project contributed to the state-of-the-art in two ways: (1) by developing and demonstrating a calibration-free simple methodology to compute intrinsic phonon scattering (Normal and Umklapp processes) time scales with the inclusion

  12. Probing the pomeron structure with quasi-real photons

    International Nuclear Information System (INIS)

    Arteaga-Romero, N.; Kessler, P.

    1986-03-01

    Following a recent suggestion of Ingelman and Schlein, we here consider the possibility of probing the gluonic structure of the pomeron with quasi-real photons, i.e. in reactions e p → e p + 2 jets + X taking place at an ep collider such as HERA

  13. Self-stress control of real civil engineering tensegrity structures

    Science.gov (United States)

    Kłosowska, Joanna; Obara, Paulina; Gilewski, Wojciech

    2018-01-01

    The paper introduces the impact of the self-stress level on the behaviour of the tensegrity truss structures. Displacements for real civil engineering tensegrity structures are analysed. Full-scale tensegrity tower Warnow Tower which consists of six Simplex trusses is considered in this paper. Three models consisting of one, two and six modules are analysed. The analysis is performed by the second and third order theory. Mathematica software and Sofistik programme is applied to the analysis.

  14. Extended x-ray absorption fine structure studies of amorphous and crystalline Si-Ge alloys with synchrotron radiation

    International Nuclear Information System (INIS)

    Kajiyama, Hiroshi

    1988-01-01

    Extended X-ray absorption fine structure (EXAFS) is a powerful probe to study the local structure around the atom of a specific element. In conventional EXAFS analysis, it has been known that reliable structures are obtained with the different values of absorption edge energy for different neighboring atoms. It is shown in this study that the Ge-K edge EXAFS resulting from the Ge-Ge and Ge-Si bonds in hydrogenated amorphous Si-Ge alloys was able to be excellently explained by a unique absorption edge energy value, provided that a newly developed formula based on the spherical wave function of photoelectrons is used. The microscopic structures of hydrogenated amorphous Si-Ge alloys and crystalline Si-Ge alloys have been determined using the EXAFS method. The lengths of Ge-Ge and Ge-Si bonds were constant throughout their entire composition range, and it was found that the length of Ge-Si bond was close to the average value of the bond lengths of both Ge and Si crystals. In crystalline Si-Ge alloys, it has been shown that the bonds relaxed completely, while the lattice constant varied monotonously with the composition. (Kako, I.)

  15. Algorithm for the real-structure design of neutron supermirrors

    International Nuclear Information System (INIS)

    Pleshanov, N.K.

    2004-01-01

    The effect of structure imperfections of neutron supermirrors on their performance is well known. Nevertheless, supermirrors are designed with the algorithms based on the theories of reflection from perfect layered structures. In the present paper an approach is suggested, in which the design of a supermirror is made on the basis of its real-structure model (the RSD algorithm) with the use of exact numerical methods. It allows taking the growth laws and the reflectance of real structures into account. The new algorithm was compared with the Gukasov-Ruban-Bedrizova (GRB) algorithm and with the most frequently used algorithm of Hayter and Mook (HM). Calculations showed that, when the parameters of the algorithms are chosen so that the supermirrors designed for a given angular acceptance m have the same number of bilayers, (a) for perfect layers the GRB, HM and RSD algorithms generate sequences of practically the same reflectance; (b) for real structures with rough interfaces and interdiffusion the GRB and HM algorithms generate sequences with insufficient number of thinner layers and the RSD algorithm turns out to be more responsive and efficient. The efficiency of the RSD algorithm increases for larger m. In addition, calculations have been carried out to demonstrate the effect of fabrication errors and absorption on the reflectance of Ni/Ti supermirrors

  16. Synthesis and structure of large single crystalline silver hexagonal microplates suitable for micromachining

    Energy Technology Data Exchange (ETDEWEB)

    Lyutov, Dimitar L.; Genkov, Kaloyan V.; Zyapkov, Anton D.; Tsutsumanova, Gichka G.; Tzonev, Atanas N. [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria); Lyutov, Lyudmil G. [Department of General and Inorganic Chemistry, Faculty of Chemistry, University of Sofia, 1, J. Bouchier Blvd, Sofia (Bulgaria); Russev, Stoyan C., E-mail: scr@phys.uni-sofia.bg [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria)

    2014-01-15

    We report a simple one-step synthesis method of large single crystalline Ag (111) hexagonal microplates with sharp edges and a size of up to tens of microns. Single silver crystals were produced by reduction silver nitrate aqueous solution with 4-(methylamino)phenol sulfate. Scanning and transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected area electron diffraction and optical microscopy techniques were combined to characterize the crystals. It is shown that the microplates can be easily dispersed and transferred as single objects onto different substrates and subsequently used as a high quality plasmonic starting material for micromachining of future nanocomponents, using modern top-down techniques like focused-ion beam milling and gas injection deposition. - Highlights: • Synthesis of large Ag hexagonal microplates with high crystallinity. • It is shown and discussed the role of twinning for the anisotropic 2D growth. • The Ag plates are stable in water and can be dispersed onto different substrates. • Their positioning and subsequent micromachining with FIB/GIS is demonstrated. • Suitable starting material for future plasmonic nanocomponents.

  17. Structural aspects of fish skin collagen which forms ordered arrays via liquid crystalline states.

    Science.gov (United States)

    Giraud-Guille, M M; Besseau, L; Chopin, C; Durand, P; Herbage, D

    2000-05-01

    The ability of acid-soluble type I collagen extracts from Soleidae flat fish to form ordered arrays in condensed phases has been compared with data for calf skin collagen. Liquid crystalline assemblies in vitro are optimized by preliminary treatment of the molecular population with ultrasounds. This treatment requires the stability of the fish collagen triple helicity to be controlled by X-ray diffraction and differential scanning calorimetry and the effect of sonication to be evaluated by viscosity measurements and gel electrophoresis. The collagen solution in concentrations of at least 40 mg ml(-1) showed in polarized light microscopy birefringent patterns typical of precholesteric phases indicating long-range order within the fluid collagen phase. Ultrastructural data, obtained after stabilization of the liquid crystalline collagen into a gelated matrix, showed that neutralized acid-soluble fish collagen forms cross-striated fibrils, typical of type I collagen, following sine wave-like undulations in precholesteric domains. These ordered geometries, approximating in vivo situations, give interesting mechanical properties to the material.

  18. Real-Time 3D Profile Measurement Using Structured Light

    International Nuclear Information System (INIS)

    Xu, L; Zhang, Z J; Ma, H; Yu, Y J

    2006-01-01

    The paper builds a real-time system of 3D profile measurement using structured-light imaging. It allows a hand-held object to rotate free in the space-time coded light field, which is projected by the projector. The surface of measured objects with projected coded light is imaged; the system shows surface reconstruction results of objects online. This feedback helps user to adjust object's pose in the light field according to the dismissed or error data, which would achieve the integrality of data used in reconstruction. This method can acquire denser data cloud and have higher reconstruction accuracy and efficiency. According to the real-time requirements, the paper presents the non-restricted light plane modelling which suits stripe structured light system, designs the three-frame stripes space-time coded pattern, and uses the advance ICP algorithms to acquire 3D data alignment from multiple view

  19. NaTaO3 photocatalysts of different crystalline structures for water splitting into H2 and O2

    International Nuclear Information System (INIS)

    Lin, W.-H.; Cheng, C.; Hu, C.-C.; Teng, H.

    2006-01-01

    Perovskite-type NaTaO 3 derived from a sol-gel synthesis exhibited a larger surface area and a remarkably higher photocatalytic activity in water splitting than the solid-state synthesized NaTaO 3 . The sol-gel and solid-state NaTaO 3 had different crystalline structures of monoclinic P2/m and orthorhombic Pcmn, respectively. Diffuse reflectance spectra showed that the sol-gel specimen had a slightly larger band gap. The band structure analysis revealed an indirect band gap for the sol-gel NaTaO 3 , contrary to the direct band gap of the solid-state one. The difference in the electronic structure and surface area explained the higher photocatalytic activity of the sol-gel NaTaO 3

  20. Effect of hydridation on structure of amorphous and amorphous-crystalline Fe40Ni40B20 and Co70Fe5Si15B10 bands

    International Nuclear Information System (INIS)

    Il'inskij, A.G.; Brovko, A.P.; Zelinskaya, G.M.; Kosenko, N.S.; Khristenko, T.M.; Kobzenko, G.F.; Shkola, A.A.

    1988-01-01

    The structure of amorphous and amorphous-crystaliline Fe 40 Ni 40 B 20 and Co 70 Fe 5 Si-1 5 B 10 alloys, exposed to hydridation at different temperatures, is studied by X-ray diffraction technique. The presence of crystalline constituent in amorphous bands was determined on DRON-3 device and by method of small-angle scattering. The experimental data obtained verify, that hydridation does not only prevent the formation of crystalline phases at annealing, but leads, as well, to disappearance of band crystalline constituent in case of its presence

  1. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fanli, E-mail: flmeng@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Hou, Nannan [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Ge, Sheng [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Sun, Bai [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Jin, Zhen, E-mail: zjin@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Shen, Wei; Kong, Lingtao; Guo, Zheng [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Yufeng, E-mail: sunyufeng118@126.com [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Wu, Hao; Wang, Chen [Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Li, Minqiang [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

    2015-03-25

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion.

  2. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    International Nuclear Information System (INIS)

    Meng, Fanli; Hou, Nannan; Ge, Sheng; Sun, Bai; Jin, Zhen; Shen, Wei; Kong, Lingtao; Guo, Zheng; Sun, Yufeng; Wu, Hao; Wang, Chen; Li, Minqiang

    2015-01-01

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion

  3. Comparison of slowness profiles of lamb wave with elastic moduli and crystal structure in single crystalline silicon wafers

    Energy Technology Data Exchange (ETDEWEB)

    Min, Young Jae; Yun, Gyeong Won; Kim, Kyung Min; Roh, Yuji; Kim, Young H. [Applied Acoustics Lab, Korea Science Academy of KAIST, Busan (Korea, Republic of)

    2016-02-15

    Single crystalline silicon wafers having (100), (110), and (111) directions are employed as specimens for obtaining slowness profiles. Leaky Lamb waves (LLW) from immersed wafers were detected by varying the incident angles of the specimens and rotating the specimens. From an analysis of LLW signals for different propagation directions and phase velocities of each specimen, slowness profiles were obtained, which showed a unique symmetry with different symmetric axes. Slowness profiles were compared with elastic moduli of each wafer. They showed the same symmetries as crystal structures. In addition, slowness profiles showed expected patterns and values that can be inferred from elastic moduli. This implies that slowness profiles can be used to examine crystal structures of anisotropic solids.

  4. Combining 3D structure of real video and synthetic objects

    Science.gov (United States)

    Kim, Man-Bae; Song, Mun-Sup; Kim, Do-Kyoon

    1998-04-01

    This paper presents a new approach of combining real video and synthetic objects. The purpose of this work is to use the proposed technology in the fields of advanced animation, virtual reality, games, and so forth. Computer graphics has been used in the fields previously mentioned. Recently, some applications have added real video to graphic scenes for the purpose of augmenting the realism that the computer graphics lacks in. This approach called augmented or mixed reality can produce more realistic environment that the entire use of computer graphics. Our approach differs from the virtual reality and augmented reality in the manner that computer- generated graphic objects are combined to 3D structure extracted from monocular image sequences. The extraction of the 3D structure requires the estimation of 3D depth followed by the construction of a height map. Graphic objects are then combined to the height map. The realization of our proposed approach is carried out in the following steps: (1) We derive 3D structure from test image sequences. The extraction of the 3D structure requires the estimation of depth and the construction of a height map. Due to the contents of the test sequence, the height map represents the 3D structure. (2) The height map is modeled by Delaunay triangulation or Bezier surface and each planar surface is texture-mapped. (3) Finally, graphic objects are combined to the height map. Because 3D structure of the height map is already known, Step (3) is easily manipulated. Following this procedure, we produced an animation video demonstrating the combination of the 3D structure and graphic models. Users can navigate the realistic 3D world whose associated image is rendered on the display monitor.

  5. Structure and chemical durability of barium borosilicate glass–ceramics containing zirconolite and titanite crystalline phases

    International Nuclear Information System (INIS)

    Li, Huidong; Wu, Lang; Xu, Dong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang

    2015-01-01

    In order to increase the solubility of actinides in the glass matrix, the effects of CaO, TiO 2 , and ZrSiO 4 addition (abbreviated as CTZ, in the mole ratio of 2:2:1) on crystalline phases, microstructure, and chemical durability of barium borosilicate glass–ceramics were investigated. The results show that the samples possess both zirconolite-2M and titanite phase when the CTZ content is greater than or equal to 45 wt.%. For the glass–ceramics with 45 wt.% CTZ (CTZ-45), only zirconolite-2M phase is observed after annealing at 680–740 °C for 2 h. The CTZ-45 possess zirconolite-2M and titanite phases after annealing at 700 °C first, and then annealing at 900–1050 °C for 2 h. Furthermore, the zirconolite-2M and titanite grains show a strip and brick shape, respectively. The CTZ-45 annealing at 950 °C shows the lower normalized leaching rates of B, Na and Nd when compared to that of CTZ-0 and CTZ-55. - Highlights: • CaO, TiO 2 , ZrSiO 4 (CTZ) as nucleating agents were added to barium borosilicate glass. • The samples with 45–55 wt% CTZ possess CaZrTi 2 O 7 -2M and CaTiSiO 5 crystalline phases. • CTZ-45 (45wt% CTZ) possesses only CaZrTi 2 O 7 -2M phase after annealing at 680–740 °C. • CTZ-45 possesses CaZrTi 2 O 7 -2M and CaTiSiO 5 phases after annealing at 900–1050 °C. • CTZ-45 annealing at 950 °C shows the lower leaching rates of B, Na and Nd than CTZ-0 and CTZ-55.

  6. Relationship Between Crystalline Structure and Hardness of Ti-Si-N-O Coatings Fabricated by dc Sputtering

    Science.gov (United States)

    García-González, Leandro; Hernández-Torres, Julián; Mendoza-Barrera, Claudia; Meléndez-Lira, Miguel; García-Ramírez, Pedro J.; Martínez-Castillo, Jaime; Sauceda, Ángel; Herrera-May, Agustin L.; Muñoz Saldaña, Juan; Espinoza-Beltrán, Francisco J.

    2008-08-01

    Ti-Si-N-O coatings were deposited on AISI D2 tool steel and silicon substrates by dc reactive magnetron co-sputtering using a target of Ti-Si with a constant area ratio of 0.2. The substrate temperature was 400 °C and reactive atmosphere of nitrogen and argon. For all samples, argon flow was maintained constant at 25 sccm, while the flow of the nitrogen was varied to analyze the structural changes related to chemical composition and resistivity. According to results obtained by x-ray diffraction and stoichiometry calculations by x-ray energy dispersive spectroscopy the Ti-Si-N-O coatings contain two solid solutions. The higher crystalline part corresponds to titanium oxynitrure. Hardness tests on the coatings were carried out using the indentation work model and the hardness value was determined. Finally, the values of hardness were corroborated by nanoindentation test, and values of Young’s modulus and elastic recovery were discussed. We concluded that F2TSN sample ( F Ar = 25 sccm, F N = 5 sccm, P = 200 W, and P W = 8.9 × 10-3 mbar) presented the greatest hardness and the lowest resistivity values, due to its preferential crystalline orientation.

  7. Lipid-Based Liquid Crystalline Nanoparticles Facilitate Cytosolic Delivery of siRNA via Structural Transformation.

    Science.gov (United States)

    He, Shufang; Fan, Weiwei; Wu, Na; Zhu, Jingjing; Miao, Yunqiu; Miao, Xiaran; Li, Feifei; Zhang, Xinxin; Gan, Yong

    2018-04-11

    RNA interference (RNAi) technology has shown great promise for the treatment of cancer and other genetic disorders. Despite the efforts to increase the target tissue distribution, the safe and effective delivery of siRNA to the diseased cells with sufficient cytosolic transport is another critical factor for successful RNAi clinical application. Here, the constructed lipid-based liquid crystalline nanoparticles, called nano-Transformers, can transform thestructure in the intracellular acidic environment and perform high-efficient siRNA delivery for cancer treatment. The developed nano-Transformers have satisfactory siRNA loading efficiency and low cytotoxicity. Different from the traditional cationic nanocarriers, the endosomal membrane fusion induced by the conformational transition of lipids contributes to the easy dissociation of siRNA from nanocarriers and direct release of free siRNA into cytoplasm. We show that transfection with cyclin-dependent kinase 1 (CDK1)-siRNA-loaded nano-Transformers causes up to 95% reduction of relevant mRNA in vitro and greatly inhibits the tumor growth without causing any immunogenic response in vivo. This work highlights that the lipid-based nano-Transformers may become the next generation of siRNA delivery system with higher efficacy and improved safety profiles.

  8. Preparation of Fluorine-Doped TiO2 Photocatalysts with Controlled Crystalline Structure

    Directory of Open Access Journals (Sweden)

    N. Todorova

    2008-01-01

    Full Text Available Nanocrystalline F-doped TiO2 powders were prepared by sol-gel route. The thermal behavior of the powders was recorded by DTA/TG technique. The crystalline phase of the fluorinated TiO2 powders was determined by X-ray diffraction technique. It was demonstrated that F-doping using CF3COOH favors the formation of rutile along with anatase phase even at low temperature. Moreover, the rutile's phase content increases with the increase of the quantity of the fluorine precursor in the starting solution. The surface area of the powders and the pore size distribution were studied by N2 adsorption-desorption using BET and BJH methods. X-ray photoelectron spectroscopy (XPS revealed that the fluorine is presented in the TiO2 powders mainly as metal fluoride in quantities ∼16 at %. The F-doped TiO2 showed a red-shift absorption in UV-vis region which was attributed to the increased content of rutile phase in the powders. The powders exhibited enhanced photocatalytic activity in decomposition of acetone.

  9. Nano-Photonic Structures for Light Trapping in Ultra-Thin Crystalline Silicon Solar Cells

    Directory of Open Access Journals (Sweden)

    Prathap Pathi

    2017-01-01

    Full Text Available Thick wafer-silicon is the dominant solar cell technology. It is of great interest to develop ultra-thin solar cells that can reduce materials usage, but still achieve acceptable performance and high solar absorption. Accordingly, we developed a highly absorbing ultra-thin crystalline Si based solar cell architecture using periodically patterned front and rear dielectric nanocone arrays which provide enhanced light trapping. The rear nanocones are embedded in a silver back reflector. In contrast to previous approaches, we utilize dielectric photonic crystals with a completely flat silicon absorber layer, providing expected high electronic quality and low carrier recombination. This architecture creates a dense mesh of wave-guided modes at near-infrared wavelengths in the absorber layer, generating enhanced absorption. For thin silicon (<2 μm and 750 nm pitch arrays, scattering matrix simulations predict enhancements exceeding 90%. Absorption approaches the Lambertian limit at small thicknesses (<10 μm and is slightly lower (by ~5% at wafer-scale thicknesses. Parasitic losses are ~25% for ultra-thin (2 μm silicon and just 1%–2% for thicker (>100 μm cells. There is potential for 20 μm thick cells to provide 30 mA/cm2 photo-current and >20% efficiency. This architecture has great promise for ultra-thin silicon solar panels with reduced material utilization and enhanced light-trapping.

  10. Structural and spectroscopic features of proton hydrates in the crystalline state. Solid-state DFT study on HCl and triflic acid hydrates

    Science.gov (United States)

    Vener, M. V.; Chernyshov, I. Yu.; Rykounov, A. A.; Filarowski, A.

    2018-01-01

    Crystalline HCl and CF3SO3H hydrates serve as excellent model systems for protonated water and perfluorosulphonic acid membranes, respectively. They contain characteristic H3O+, H5О+2, H7О+3 and H3O+(H2O)3 (the Eigen cation) structures. The properties of these cations in the crystalline hydrates of strong monobasic acids are studied by solid-state density function theory (DFT). Simultaneous consideration of the HCl and CF3SO3H hydrates reveals the impact of the size of a counter ion and the crystalline environment on the structure and infrared active bands of the simplest proton hydrates. The H7O+3 structure is very sensitive to the size of the counter ion and symmetry of the local environment. This makes it virtually impossible to identify the specific features of H7O+3 in molecular crystals. The H3O+ ion can be treated as the Eigen-like cation in the crystalline state. Structural, infrared and electron-density features of H5О+2 and the Eigen cation are virtually insensitive to the size of the counter ion and the symmetry of the local crystalline environment. These cations can be considered as the simplest stable proton hydrates in the condensed phase. Finally, the influence of the Grimme correction on the structure and harmonic frequencies of the molecular crystals with short (strong) intermolecular O-H···O bonds is discussed.

  11. Carbides crystalline structure of AISI M2 high-speed steel

    International Nuclear Information System (INIS)

    Serna, M.M.; Galego, E.; Rossi, J.L.

    2005-01-01

    The aim of this study was to identify the crystallographic structure of the extracted carbides of AISI M2 steel spray formed The structure determination of these carbides. The structure determination of these carbides is a very hard work. Since these structures were formed by atom migration it is not possible to reproduce them by a controlled process with a determined chemical composition. The solution of this problem is to obtain the carbide by chemical extraction from the steel. (Author)

  12. Structural, magnetic and electrical characterization of Mg–Ni nano-crystalline ferrites prepared through egg-white precursor

    Energy Technology Data Exchange (ETDEWEB)

    Gabal, M.A., E-mail: mgabalabdonada@yahoo.com [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Al Angari, Y.M. [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Zaki, H.M. [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Physics Department, Faculty of Science, Zagazig University, Zagazig (Egypt)

    2014-08-01

    Soft Ni–Mg nano-crystalline ferrites with the general formula Ni{sub 1−x}Mg{sub x}Fe{sub 2}O{sub 4} (0≤x≤1) were synthesized through egg-white method. The precursor decomposition was followed by thermal analysis techniques. The obtained ferrites were characterized by X-ray diffraction, Fourier transform infrared and transmission electron microscopy measurements. X-ray diffraction showed the cubic spinel structure with crystallite size variation within the range 20–45 nm. The different structural data obtained were discussed in the view of ionic radii of the entire ions and their distribution within the lattice. The appropriate suggested cation distribution was then confirmed through Fourier transform infrared as well as electrical and magnetic properties measurements. Transmission electron microscopy exhibited a nano-crystal aggregation phenomenon. The observed size of the spherical particles agrees well with that obtained by X-ray diffraction. Hysteresis loop measurements revealed dilution in the obtained magnetic parameters by Mg-substitution due to the preferential occupancy of Mg{sup 2+} ions by the octahedral sites. Ac-electrical conductivity as a function of temperature and frequency exhibited a semi-conducting behavior with conductivity decreases by increasing Mg-content. The change in the slope of the curve indicates the changing in the conduction mechanism from electron hopping to polaron mechanism by increasing temperature. The obtained structural, electrical and magnetic properties were explained based on the cation distribution among tetrahedral and octahedral sites. - Highlights: • Ni–Mg nano-crystalline ferrites were synthesized through egg-white method. • An appropriate cation distribution was suggested. • Conductivity revealed a change in conduction mechanism by increasing temperature. • The effect of Mg-substitution on different properties was studied.

  13. Modification of dielectric function and electronic structure of the alloys at the phase transformation amorphous-crystalline state

    International Nuclear Information System (INIS)

    Belij, M.U.; Poperenko, L.V.; Shajkevich, I.A.; Karpusha, V.D.; Kravets, V.G.

    1989-01-01

    The relation between the features of the optical spectrum and the electronic structure parameters for non-crystalline nickel- and iron-based alloys is not yet precisely found. Therefore the main purpose of the study consists in investigation of the basic metal band structure modification at metalloid alloying. The density of electron states N(E) and structural parameters of amorphous alloys nickel-M, iron-M, Fe-TM-M (M - metalloid B,Si,C; TM - transition metal 3d (Ti,V,Cr,Mn,Co,Ni), 4d (Nb,Mo), 5d (Hf,Ta,W) and their transformation changes from amorphous (AS) to crystalline state (CS) have been determined. The methods of ellipsometry, Auger-spectroscopy and X-ray absorption spectroscopy are used. The function N(E) of the Ni- and Fe-based alloys has shown 4 density-of-states peaks, one of them located above the Fermi level E F and the others - below it. The observed features of the absorbed spectra of Ni-M (M = B,P) are related both to the interband transition from the levels falling into the occupied peaks of N(E) to the levels at E F , and to the 1-peak-states. When B increases the distance between 1-peak and E F decreases. With introduction of the TM atoms into Fe-B the impurities states related to them are formed above E F . From the X-ray data the cluster with nonhomogeneous electronic density for FeBSi (7.0 nm) and FeNbBSi (7.0 and 4.2 nm along and transverse to foil respectively) are estimated. The frequencies of relaxation and plasma oscillations are also calculated. (author)

  14. Polyamine structural effects on the induction and stabilization of liquid crystalline DNA: potential applications to DNA packaging, gene therapy and polyamine therapeutics.

    Science.gov (United States)

    Saminathan, M; Thomas, Thresia; Shirahata, Akira; Pillai, C K S; Thomas, T J

    2002-09-01

    DNA undergoes condensation, conformational transitions, aggregation and resolubilization in the presence of polyamines, positively charged organic molecules present in all cells. Under carefully controlled environmental conditions, DNA can also transform to a liquid crystalline state in vitro. We undertook the present work to examine the ability of spermidine, N4-methylspermidine, spermine, N1-acetylspermine and a group of tetramine, pentamine and hexamine analogs of spermine to induce and stabilize liquid crystalline DNA. Liquid crystalline textures were identified under a polarizing microscope. In the absence of polyamines, calf thymus DNA assumed a diffused, planar cholesteric phase with entrapped bubbles when incubated on a glass slide at 37 degrees C. In the presence of spermidine and spermine, the characteristic fingerprint textures of the cholesteric phase, adopting a hexagonal order, were obtained. The helical pitch was 2.5 micro m. The final structures were dendrimeric and crystalline when DNA was treated with spermine homologs and bis(ethyl) derivatives. A cholesteric structure was observed when DNA was treated with a hexamine at 37 degrees C. This structure changed to a hexagonal dendrimer with fluidity on prolonged incubation. These data show a structural specificity effect of polyamines on liquid crystalline phase transitions of DNA and suggest a possible physiological function of natural polyamines.

  15. X-ray free electron laser and its application to 3-dimensional imaging of non-crystalline nano-structure

    International Nuclear Information System (INIS)

    Ishikawa, Tetsuya

    2007-01-01

    The Laser in the X-ray region has been anticipated to be realized as a light source to probe the nano-world. Free electron lasers using high energy electron accelerators have been promising the candidates. The finding of the principle of Self-Amplified Spontaneous Emission (SASE) resolved the technological difficulties accompanying the X-ray free electron laser, and the construction of large scale SASE facilities started in western countries. In Japan the construction of an SASE facility started in 2006 to be completed in 2010 at the site of the large synchrotron radiation facility, SPring-8 positioned as a 'critical technology of national importance' by the Japanese government. The principle of the X-ray free electron laser is explained and the outline of the Japanese facility construction plan is presented. Also the application of the X-ray laser to the imaging of non-crystalline nano-structure is introduced. (K.Yoshida)

  16. Structural and Electrochemical Properties of Amorphous and Crystalline Molybdenum Oxide Aerogels

    National Research Council Canada - National Science Library

    Dong, W

    2001-01-01

    .... These different forms of the same nominal material are produced by heat treatment. The influence of the structural differences on electrochemical properties was examined using stepped cyclic voltammetry...

  17. Structure and method for controlling band offset and alignment at a crystalline oxide-on-semiconductor interface

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    2003-11-25

    A crystalline oxide-on-semiconductor structure and a process for constructing the structure involves a substrate of silicon, germanium or a silicon-germanium alloy and an epitaxial thin film overlying the surface of the substrate wherein the thin film consists of a first epitaxial stratum of single atomic plane layers of an alkaline earth oxide designated generally as (AO).sub.n and a second stratum of single unit cell layers of an oxide material designated as (A'BO.sub.3).sub.m so that the multilayer film arranged upon the substrate surface is designated (AO).sub.n (A'BO.sub.3).sub.m wherein n is an integer repeat of single atomic plane layers of the alkaline earth oxide AO and m is an integer repeat of single unit cell layers of the A'BO.sub.3 oxide material. Within the multilayer film, the values of n and m have been selected to provide the structure with a desired electrical structure at the substrate/thin film interface that can be optimized to control band offset and alignment.

  18. Correlation between the fine structure of spin-coated PEDOT:PSS and the photovoltaic performance of organic/crystalline-silicon heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Funda, Shuji; Ohki, Tatsuya; Liu, Qiming; Hossain, Jaker; Ishimaru, Yoshihiro; Ueno, Keiji; Shirai, Hajime [Graduate School of Science and Engineering, Saitama University, Saitama 338-8570 (Japan)

    2016-07-21

    We investigated the relationship between the fine structure of spin-coated conductive polymer poly(3,4-ethylenedioxythiphene):poly(styrene sulfonate) (PEDOT:PSS) films and the photovoltaic performance of PEDOT:PSS crystalline-Si (PEDOT:PSS/c-Si) heterojunction solar cells. Real-time spectroscopic ellipsometry revealed that there were two different time constants for the formation of the PEDOT:PSS network. Upon removal of the polar solvent, the PEDOT:PSS film became optically anisotropic, indicating a conformational change in the PEDOT and PSS chain. Polarized Fourier transform infrared attenuated total reflection absorption spectroscopy and Raman spectroscopy measurements also indicated that thermal annealing promoted an in-plane π-conjugated C{sub α} = C{sub β} configuration attributed to a thiophene ring in PEDOT and an out-of-plane configuration of -SO{sub 3} groups in the PSS chain with increasing composition ratio of oxidized (benzoid) to neutral (quinoid) PEDOT, I{sub qui}/I{sub ben}. The highest power conversion efficiency for the spin-coated PEDOT:PSS/c-Si heterojunction solar cells was 13.3% for I{sub qui}/I{sub ben} = 9–10 without employing any light harvesting methods.

  19. Study of crystalline morphology and phase structure in poly(styrene-b-ethylene oxide-b-styrene) triblock copolymers bu solid state RMN spin diffusion

    International Nuclear Information System (INIS)

    Mantovani, Gerson L.; Phan, Trang; Bertin, Denis; Azevedo, Eduardo R. de; Bonagamba, Tito J.

    2009-01-01

    The phase structure and crystalline morphology of a series of polystyrene-b-polyethylene oxide-b-polystyrene (PS-b- PEO-b-PS) triblock copolymers, with different compositions and molecular weights, has been studied by solid-state NMR. WAXS and DSC measurements were used to detect the presence of crystalline domains of polyethylene oxide (PEO) blocks at room temperature as a function of the copolymer composition. 1 H NMR spin diffusion analyses provided an estimation of the size of the dispersed phases of the nano structured copolymers. (author)

  20. Crystalline and electronic structure of epitaxial γ-Al2O3 films

    International Nuclear Information System (INIS)

    Wu, Huiyan; Lu, Dawei; Zhu, Kerong; Xu, Guoyong; Wang, Hu

    2013-01-01

    Epitaxial γ-Al 2 O 3 films were fabricated on SrTiO 3 (1 0 0) substrates using pulsed laser deposition (PLD) technique. The high quality of epitaxial growth γ-Al 2 O 3 films was confirmed by X-ray diffraction (XRD). Atomic force microscopy (AFM) images indicated the smooth surfaces and the step-flow growth of the films. In order to illuminate the electronic properties and the local structure of the epitaxial γ-Al 2 O 3 , we experimentally measured the X-ray absorption near-edge structure (XANES) spectrum at the O K-edge and compared the spectrum with the theoretical simulations by using various structure models. Our results based on XANES spectrum analysis indicated that the structure of the epitaxial γ-Al 2 O 3 film was a defective spinel with Al vacancies, which prefer to be located at the octahedral sites

  1. Spin and lattice structures of single-crystalline SrFe2As2

    Science.gov (United States)

    Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

    2008-10-01

    We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

  2. Optical analysis of the fine crystalline structure of artificial opal films.

    Science.gov (United States)

    Lozano, G; Dorado, L A; Schinca, D; Depine, R A; Míguez, H

    2009-11-17

    Herein, we present a detailed analysis of the structure of artificial opal films. We demonstrate that, rather than the generally assumed face centered cubic lattice of spheres, opal films are better approximated by rhombohedral assemblies of distorted colloids. Detailed analysis of the optical response in a very wide spectral range (0.4 opal films is provided, as well as of the photonic band structure of the proposed arrangement. The implications of this distortion in the optical response of the lattice are discussed.

  3. The influence of metal interlayers on the structural and optical properties of nano-crystalline TiO 2 films

    KAUST Repository

    Yang, Yong

    2012-03-01

    TiO 2-M-TiO 2 (M = W, Co and Ag) multilayer films have been deposited on glass substrates using reactive magnetron sputtering, then annealed in air for 2 h at 500°C. The structure, surface morphology and optical properties of the films have been studied using X-ray diffraction, Raman spectroscopy, atomic force microscopy and UV-vis spectroscopy. The TiO 2-W-TiO 2 and TiO 2-Co-TiO 2 films showed crystalline phases, whereas the TiO 2-Ag-TiO 2 films remained in the amorphous state. The crystallization temperature for the TiO 2-M-TiO 2 films decreased significantly compared with pure TiO 2 film deposited on quartz. Detailed analysis of the Raman spectra suggested that the crystallization of TiO 2-M-TiO 2 films was associated with the large structural deformation imposed by the oxidation of intermediate metal layers. Moreover, the optical band gap of the films narrowed due to the appearance of impurity levels as the metal ions migrated into the TiO 2 matrix. These results indicate that the insertion of intermediate metal layers provides a feasible access to improve the structural and optical properties of anatase TiO 2 films, leading to promising applications in the field of photocatalysis. © 2011 Elsevier B.V. All rights reserved.

  4. Femtosecond laser-induced cross-periodic structures on a crystalline silicon surface under low pulse number irradiation

    Science.gov (United States)

    Ji, Xu; Jiang, Lan; Li, Xiaowei; Han, Weina; Liu, Yang; Wang, Andong; Lu, Yongfeng

    2015-01-01

    A cross-patterned surface periodic structure in femtosecond laser processing of crystalline silicon was revealed under a relatively low shots (4 energy slightly higher than the ablation threshold. The experimental results indicated that the cross-pattern was composed of mutually orthogonal periodic structures (ripples). Ripples with a direction perpendicular to laser polarization (R⊥) spread in the whole laser-modified region, with the periodicity around 780 nm which was close to the central wavelength of the laser. Other ripples with a direction parallel to laser polarization (R‖) were found to be distributed between two of the adjacent ripples R⊥, with a periodicity about the sub-wavelength of the irradiated laser, 390 nm. The geometrical morphology of two mutually orthogonal ripples under static femtosecond laser irradiation could be continuously rotated as the polarization directions changed, but the periodicity remained almost unchanged. The underlying physical mechanism was revealed by numerical simulations based on the finite element method. It was found that the incubation effect with multiple shots, together with the redistributed electric field after initial ablation, plays a crucial role in the generation of the cross-patterned periodic surface structures.

  5. Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

    International Nuclear Information System (INIS)

    Evarestov, Robert; Bandura, Andrei; Blokhin, Eugeny

    2009-01-01

    The study of the bulk and surface properties of cubic (fluorite structure) HfO 2 and UO 2 was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO 2 differ from those found for other metal oxides with the closed-shell configuration of d-electrons

  6. Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes

    Energy Technology Data Exchange (ETDEWEB)

    Roll, Mark F; Kampf, Jeffrey W.; Laine, Richard M

    2011-05-10

    We report here the Diels–Alder reaction of octa(diphenylacetylene)silsesquioxane [DPA₈OS] with tetraphenylcyclopentadienone or tetra(p-tolyl)cyclopentadienone to form octa(hexaphenylbenzene)octasilsesquioxane, (Ph₆C₆)₈OS, or octa(tetratolyldiphenylbenzene)octasilsesquioxane, (p-Tolyl₄Ph₂C₆)₈OS. Likewise, tetra(p-tolyl)cyclopentadienone reacts with octa(p-tolylethynylphenyl)OS to form octa(pentatolylphenylbenzene)octasilsesquioxane (p-Tolyl₅PhC₆)₈OS. These compounds, with molecular weights of 4685–5245 Da, were isolated and characterized using a variety of analytical methods. The crystal structure of DPA₈OS offers a 3 nm³ unit cell with Z = 1. The crystal structure of (Ph₆C₆)₈OS was determined to have a triclinic unit cell of 11 nm³ with Z = 1. The latter structure is believed to be the largest discrete molecular structure reported with 330 carbons. Efforts to dehydrogenatively cyclize (Scholl reaction) the hexaarylbenzene groups to form 3-D octgraphene compounds are described.

  7. Formation process of hierarchical structures in crystalline polymers as analyzed by simultaneous measurements of small-angle X-ray scattering and other techniques

    International Nuclear Information System (INIS)

    Yamamoto, Katsuhiro; Sakurai, Shinichi

    2006-01-01

    Crystalline polymers spontaneously form hierarchical structures, which provide us a potential use as a specialty material. Recently, not only a crystalline homopolymer but also semi-crystalline block copolymers and crystalline polymer blends have been attracting interests for the study of a hierarchical structure. In order to analyze such hierarchical structures in a variety of length scales, a simultaneous measurement of small-(SAXS) and wide-angle (WAXS) X-ray scattering with differential scanning calorimetry (DSC), or with small-angle light scattering (Hv-SALS) are most suitable. In this review, we show some examples of the simultaneous measurements. With DSC, exothermic heat flow can be simultaneously measured with X-ray scattering. On the other hand, with Hv-SALS it is possible to analyze evolution of a spherulitic structure, which is the structure at the highest rank in the hierarchy. For both cases, one can realize that it is impossible to obtain good statistics for SAXS and WAXS measurements without synchrotron radiations. (author)

  8. Chemical structure and radiation stability of solid crystalline antibiotics: thiamphenicol and chloramphenicol

    International Nuclear Information System (INIS)

    Varshney, Lalit; Soe Nwe

    1997-01-01

    Antibiotics in solid state show significant radiation resistance and some of them are exposed to gamma or electron beam irradiation for sterilization. Even small radiation degradation in solid state antibiotics is not desirable. Two antibiotics namely thiamphenicol (TPL) and chloramphenicol (CPL) having similar chemical and solid state structure were irradiated at different graded radiation doses to study their stability. Differential scanning calorimetry (DSC) was used to evaluate purity, entropy of radiation processing, heat of fusion and melting point. (author). 3 refs., 1 tab

  9. Structural properties and release of insulin-loaded reverse hexagonal (HII) liquid crystalline mesophase.

    Science.gov (United States)

    Mishraki-Berkowitz, Tehila; Aserin, Abraham; Garti, Nissim

    2017-01-15

    Insulin loading into the H II mesophases was examined as a function of its concentration, with addition of glycerol as a cosolvent and with addition of phosphatidylcholine (PC) as a structural stabilizer. The structural properties, the molecular interactions, the viscoelastic properties, and the dynamic behavior were investigated by SAXS, ATR-FTIR, and rheological measurements. Insulin release was then monitored and analyzed. Insulin incorporation into the H II systems shrank the cylinders as it competed with the lipids in water-bonding. Insulin interrupted the interface while increasing τ max and creating a more solid-like response. Upon addition of PC, cooperative flow behavior was detected, which is probably the reason for increase in insulin cumulative release from 28% to 52% after 300 min. In the presence of glycerol, the system was less cooperative but insulin was more compactly folded, resulting in a slight improvement in insulin release (up to 6%). Addition of both PC and glycerol caused the maximum release (55%). The addition of additives into the H II system demonstrates how structural modifications can improve insulin release, and influence future design of encapsulated drug delivery systems. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Influence of the crystalline structure of cellulose on the production of ethanol from lignocellulose biomass

    Science.gov (United States)

    Smuga-Kogut, Małgorzata; Zgórska, Kazimiera; Szymanowska-Powałowska, Daria

    2016-01-01

    In recent years, much attention has been devoted to the possibility of using lignocellulosic biomass for energy. Bioethanol is a promising substitute for conventional fossil fuels and can be produced from straw and wood biomass. Therefore, the aim of this paper was to investigate the effect of 1-ethyl-3-methylimidazolium pretreatment on the structure of cellulose and the acquisition of reducing sugars and bioethanol from cellulosic materials. Material used in the study was rye straw and microcrystalline cellulose subjected to ionic liquid 1-ethyl-3-methylimidazolium pretreatment. The morphology of cellulose fibres in rye straw and microcrystalline cellulose was imaged prior to and after ionic liquid pretreatment. Solutions of ionic liquid-treated and untreated cellulosic materials were subjected to enzymatic hydrolysis in order to obtain reducing sugars, which constituted a substrate for alcoholic fermentation. An influence of the ionic liquid on the cellulose structure, accumulation of reducing sugars in the process of hydrolysis of this material, and an increase in ethanol amount after fermentation was observed. The ionic liquid did not affect cellulolytic enzymes negatively and did not inhibit yeast activity. The amount of reducing sugars and ethyl alcohol was higher in samples purified with 1-ethyl-3-methy-limidazolium acetate. A change in the supramolecular structure of cellulose induced by the ionic liquid was also observed.

  11. Synthesis, structure and optical properties of single-crystalline In{sub 2}O{sub 3} nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Hadia, N.M.A., E-mail: nomery_abass@yahoo.com [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); Mohamed, H.A. [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); King Saud University, Teachers College, Science Department (Physics), 11148 Riyadh (Saudi Arabia)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Metal and metal oxide one dimensional (1D) nanostructured materials are of crucial importance. Black-Right-Pointing-Pointer The paper deals with the synthesis of In{sub 2}O{sub 3} nanowires without the use of catalysts. Black-Right-Pointing-Pointer The optical constants and Photoluminescence (PL) of In{sub 2}O{sub 3} nanowires were evaluated. - Abstract: Indium oxide In{sub 2}O{sub 3} nanowires have been recently synthesized revealing interesting properties and used in various applications. In order to reduce as much as possible the influence of undesired dopants and/or impurities on the observed properties, In{sub 2}O{sub 3} nanowires have been grown without the use of catalysts, directly from metallic indium by a vapor transport technique and a controlled oxidation with oxygen-argon mixtures. Depending on the growth conditions (temperature, vapor pressure, oxygen concentration, etc.) different results have been achieved and it has been observed that a 'proper' In condensation on the substrates may enhance the nanowires growth. Detailed structural analysis showed that the In{sub 2}O{sub 3} nanostructures are single crystalline with a cubic crystal structure. The grown In{sub 2}O{sub 3} nanowires were optically characterized in order to evaluate the absorption coefficient, optical band gap, refractive index and extinction coefficient. Room temperature Photoluminescence (PL) spectrum showed broad and intense blue emission at 375 nm.

  12. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    Science.gov (United States)

    Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

    2016-10-01

    The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

  13. Hot plate annealing at a low temperature of a thin ferroelectric P(VDF-TrFE) film with an improved crystalline structure for sensors and actuators.

    Science.gov (United States)

    Mahdi, Rahman Ismael; Gan, W C; Abd Majid, W H

    2014-10-14

    Ferroelectric poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) copolymer 70/30 thin films are prepared by spin coating. The crystalline structure of these films is investigated by varying the annealing temperature from the ferroelectric phase to the paraelectric phase. A hot plate was used to produce a direct and an efficient annealing effect on the thin film. The dielectric, ferroelectric and pyroelectric properties of the P(VDF-TrFE) thin films are measured as a function of different annealing temperatures (80 to 140 °C). It was found that an annealing temperature of 100 °C (slightly above the Curie temperature, Tc) has induced a highly crystalline β phase with a rod-like crystal structure, as examined by X-ray. Such a crystal structure yields a high remanent polarization, Pr = 94 mC/m2, and pyroelectric constant, p = 24 μC/m2K. A higher annealing temperature exhibits an elongated needle-like crystal domain, resulting in a decrease in the crystalline structure and the functional electrical properties. This study revealed that highly crystalline P(VDF-TrFE) thin films could be induced at 100 °C by annealing the thin film with a simple and cheap method.

  14. A Hybrid Solid-State NMR and Electron Microscopy Structure-Determination Protocol for Engineering Advanced para-Crystalline Optical Materials

    NARCIS (Netherlands)

    Thomas, Brijith; Rombouts, Jeroen; Oostergetel, Gert T.; Gupta, Karthick B.S.S.; Buda, Francesco; Lammertsma, Koop; Orru, Romano; de Groot, Huub J.M.

    2017-01-01

    Hybrid magic-angle spinning (MAS) NMR spectroscopy and TEM were demonstrated for de novo structure determination of para-crystalline materials with a bioinspired fused naphthalene diimide (NDI)–salphen–phenazine prototype light-harvesting compound. Starting from chiral building blocks with C2

  15. Single crystalline electronic structure and growth mechanism of aligned square graphene sheets

    Directory of Open Access Journals (Sweden)

    H. F. Yang

    2018-03-01

    Full Text Available Recently, commercially available copper foil has become an efficient and inexpensive catalytic substrate for scalable growth of large-area graphene films for fundamental research and applications. Interestingly, despite its hexagonal honeycomb lattice, graphene can be grown into large aligned square-shaped sheets on copper foils. Here, by applying angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES to study the three-dimensional electronic structures of square graphene sheets grown on copper foils, we verified the high quality of individual square graphene sheets as well as their merged regions (with aligned orientation. Furthermore, by simultaneously measuring the graphene sheets and their substrate copper foil, we not only established the (001 copper surface structure but also discovered that the square graphene sheets’ sides align with the ⟨110⟩ copper direction, suggesting an important role of copper substrate in the growth of square graphene sheets—which will help the development of effective methods to synthesize high-quality large-size regularly shaped graphene sheets for future applications. This work also demonstrates the effectiveness of micro-ARPES in exploring low-dimensional materials down to atomic thickness and sub-micron lateral size (e.g., besides graphene, it can also be applied to transition metal dichalcogenides and various van der Waals heterostructures

  16. Single crystalline electronic structure and growth mechanism of aligned square graphene sheets

    Science.gov (United States)

    Yang, H. F.; Chen, C.; Wang, H.; Liu, Z. K.; Zhang, T.; Peng, H.; Schröter, N. B. M.; Ekahana, S. A.; Jiang, J.; Yang, L. X.; Kandyba, V.; Barinov, A.; Chen, C. Y.; Avila, J.; Asensio, M. C.; Peng, H. L.; Liu, Z. F.; Chen, Y. L.

    2018-03-01

    Recently, commercially available copper foil has become an efficient and inexpensive catalytic substrate for scalable growth of large-area graphene films for fundamental research and applications. Interestingly, despite its hexagonal honeycomb lattice, graphene can be grown into large aligned square-shaped sheets on copper foils. Here, by applying angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES) to study the three-dimensional electronic structures of square graphene sheets grown on copper foils, we verified the high quality of individual square graphene sheets as well as their merged regions (with aligned orientation). Furthermore, by simultaneously measuring the graphene sheets and their substrate copper foil, we not only established the (001) copper surface structure but also discovered that the square graphene sheets' sides align with the ⟨110⟩ copper direction, suggesting an important role of copper substrate in the growth of square graphene sheets—which will help the development of effective methods to synthesize high-quality large-size regularly shaped graphene sheets for future applications. This work also demonstrates the effectiveness of micro-ARPES in exploring low-dimensional materials down to atomic thickness and sub-micron lateral size (e.g., besides graphene, it can also be applied to transition metal dichalcogenides and various van der Waals heterostructures)

  17. Synthesis and chlorination of manganese-columbine by means of a solid-gas reaction. Determination of crystalline structures

    International Nuclear Information System (INIS)

    Gonzales, J.; Ruiz, M. del C.

    1997-01-01

    Full text. The synthesis of mangano-columbite was carried out as follows: Mixing of N B 203 and Mn Cl 2 with an 10% weight excess of the latter in order to compensate for losses due to volatilization; grinding of the mixture in an agate mortar with agate handle in order to achieve close contact between the two solids; calcination of the sample in a quartz crucible at temperatures between 610 and 620 C (fusion temperature for Mn Cl2) in N2 current for six hours. After this time, temperature was increased at a eat of 50 C/h until reaching 800 C. This temperature was maintained for two hours in order to eliminate Mn Cl2 excess; cooling of the obtained product in N2 current. XRD analysis showed that the obtained products is a mangano-columbite. The mineral in natural state presents and orthorhombic structure. The structure of the synthesized product, though corresponding to mangano-columbite according to DRX, should be confirmed by means of an additional technique such as EXAFS. Th mangano-columbite obtained was subsequently chlorinated at 900 deg C for two hours to obtain conversions close to 50%, at 101 kPa, with a chlorine molar fraction of 1 and a flow of 50 cm3/min. By XRD it can be observed that the chlorination residue presents unreacted mangano-columbite and niobium oxide in an unknown phase, whose crystalline structure is currently under study. Measurements to be performed by means Synchrotron Radiation (EXAFS and XANES) might help elucidate this new structure. (author)

  18. Disruption of crystalline structure of Sn3.5Ag induced by electric current

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Han-Chie; Lin, Kwang-Lung, E-mail: matkllin@mail.ncku.edu.tw [Department of Material Science and Engineering, National Cheng Kung University, Tainan 70101, Taiwan (China); Wu, Albert T. [Department of Chemical and Material Engineering, National Central University, Jhongli 32001, Taiwan (China)

    2016-03-21

    This study presented the disruption of the Sn and Ag{sub 3}Sn lattice structures of Sn3.5Ag solder induced by electric current at 5–7 × 10{sup 3} A/cm{sup 2} with a high resolution transmission electron microscope investigation and electron diffraction analysis. The electric current stressing induced a high degree of strain on the alloy, as estimated from the X-ray diffraction (XRD) peak shift of the current stressed specimen. The XRD peak intensity of the Sn matrix and the Ag{sub 3}Sn intermetallic compound diminished to nearly undetectable after 2 h of current stressing. The electric current stressing gave rise to a high dislocation density of up to 10{sup 17}/m{sup 2}. The grain morphology of the Sn matrix became invisible after prolonged current stressing as a result of the coalescence of dislocations.

  19. Crystalline structure and propylene oxidation in complex bismuth-molybdenum oxide catalysts

    International Nuclear Information System (INIS)

    Manaila, R.; Ionescu, N.I.; Caldararu, M.

    1980-01-01

    Complex Bi-Mo oxide catalysts supported on amorphous SiO 2 were prepared by coprecipitation and tested in the reaction of selective oxidation of propylene to acrolein. They consist of a mixture of molybdate phases and excess MoO 3 . The Fe 2 (MoO 4 ) 3 phase was found to have a high concentration of lattice defects, induced by a Mo excess. These defects could be related to the catalytic conversion and to the selectivity to total oxidation by varying the calcination temperature. Calcination above 500 0 C induced also the transition of the metastable modification β-NiMoO 4 to the stable form α, accompanied by a loss of conversion. A complex Bi molybdate with scheelitic structure was found to have a high selectivity to acrolein. (author)

  20. Disruption of crystalline structure of Sn3.5Ag induced by electric current

    International Nuclear Information System (INIS)

    Huang, Han-Chie; Lin, Kwang-Lung; Wu, Albert T.

    2016-01-01

    This study presented the disruption of the Sn and Ag_3Sn lattice structures of Sn3.5Ag solder induced by electric current at 5–7 × 10"3 A/cm"2 with a high resolution transmission electron microscope investigation and electron diffraction analysis. The electric current stressing induced a high degree of strain on the alloy, as estimated from the X-ray diffraction (XRD) peak shift of the current stressed specimen. The XRD peak intensity of the Sn matrix and the Ag_3Sn intermetallic compound diminished to nearly undetectable after 2 h of current stressing. The electric current stressing gave rise to a high dislocation density of up to 10"1"7/m"2. The grain morphology of the Sn matrix became invisible after prolonged current stressing as a result of the coalescence of dislocations.

  1. Crystalline structure and electrical properties of Dy1-XCaXMnO3 solid solution

    Directory of Open Access Journals (Sweden)

    Durán, P.

    2002-12-01

    Full Text Available Solid solutions corresponding to the Dy1-xCaXMnO3 system, x=0.0 to 0.60 have been studied. The powders were prepared by solid state reaction of the corresponding oxides and carbonates. Sintered bodies were obtained by firing between 1250 and 1450ºC. All the compositions showed single-phased perovskite-type structure with orthorhombic symmetry and Space Group Pbnm. Increase of the CaO content leads to a monotonic decrease of the orthorhombicity factor b/a with the Ca2+ concentration up to x=0.60. All the solid solutions crystallised with the same O’-type orthorhombic perovskite structure such as pure DyMnO3. Electrical measurements have shown semiconducting behaviour for all the solid solutions. The room temperature conductivity increases monotonically with the CaO content. The 60/40 Ca/Dy composition showed a high value of the electrical conductivity and a correlative very low value of the activation energy. Thermally activated small polaron hopping mechanism controls the conductivity of these perovskite ceramics.Se han estudiado soluciones sólidas correspondientes al sistema Dy1-xCaxMnO3, x=0.0 a 0.60. Los polvos cerámicos fueron preparados por reacción en estado sólido de los correspondientes óxidos y carbonatos. Los materiales cerámicos se obtuvieron por sinterización entre 1250º y 1450ºC. Todas las composiciones fueron monofásicas y mostraron una estructura tipo perovskita, con simetría ortorrómbica y Grupo Espacial Pbnm. El aumento del contenido en CaO llevó a una disminución monótona del factor de ortorrombicidad, b/a. Todas las soluciones sólidas cristalizaron con el mismo tipo de estructura perovskita ortorrómbica O’, como la del compuesto puro DyMnO3. Las medidas eléctricas mostraron comportamiento semiconductor en todas las soluciones sólidas. La conductividad a temperatura ambiente aumenta monótonamente con el contenido de CaO. La composición 60/40 mostró un elevado valor de conductividad y un correlativo

  2. Molecular dynamics simulations of H2 adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures.

    Science.gov (United States)

    Lamonte, Kevin; Gómez Gualdrón, Diego A; Cabrales-Navarro, Fredy A; Scanlon, Lawrence G; Sandi, Giselle; Feld, William; Balbuena, Perla B

    2008-12-11

    Tetramethyl ammonium lithium phthalocyanine is explored as a potential material for storage of molecular hydrogen. Density functional theory calculations are used to investigate the molecular structure and the dimer conformation. Additional scans performed to determine the interactions of a H2 molecule located at various distances from the molecular sites are used to generate a simple force field including dipole-induced-dipole interactions. This force field is employed in molecular dynamics simulations to calculate adsorption isotherms at various pressures. The regions of strongest adsorption are quantified as functions of temperature, pressure, and separation between molecules in the adsorbent phase, and compared to the regions of strongest binding energy as given by the proposed force field. It is found that the total adsorption could not be predicted only from the spatial distribution of the strongest binding energies; the available volume is the other contributing factor even if the volume includes regions of much lower binding energy. The results suggest that the complex anion is primarily involved in the adsorption process with molecular hydrogen, whereas the cation serves to provide access for hydrogen adsorption in both sides of the anion molecular plane, and spacing between the planes.

  3. Influence of thermal annealing on the memory effect in MIS structures containing crystalline Si nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Sebastian; Brueggemann, R. [Institut fuer Physik, Carl von Ossietzky Universitaet Oldenburg, 26111 Oldenburg (Germany); Kirilov, Kiril [Department of Solid State Physics and Microelectronics, Sofia Univ. (Bulgaria); Levi, Zelma; Manolov, E. [Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee Blvd., 1784 Sofia (Bulgaria); Nedev, N. [Instituto de Ingenieria Universidad Autonoma de Baja California, Benito Juarez Blvd., s/n, C.P. 21280, Mexicali, Baja California, Mexico (Mexico)

    2007-07-01

    Silicon nanocrystals embedded in a SiO{sub 2} matrix are fabricated by thermal annealing of Metal/SiO{sub 2}/SiO{sub x}/c-Si structures (x=1.15) at 1000 C in N{sub 2} atmosphere for 30 or 60 min. High frequency C-V measurements demonstrate that both types of sample can be charged negatively or positively by applying a positive or negative bias voltage to the gate. The clockwise hysteresis windows of 30 and 60 min annealed samples are about 7 and 5.5 V for the {+-}12 V scanning range (E{sub ox}={+-}2.4 MV/cm), respectively. Although the samples annealed for 60 min have a smaller hysteresis window, they have two important advantages compared to the 30 min annealed ones: a lower defect density at the c-Si wafer/SiO{sub 2} interface and a smaller value of the fixed oxide charge close to this interface.

  4. Synthesis, optical, structural, and electrical properties of single-crystalline CdS nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Alqahtani, Mohammed S. [King Saud University, Department of Physics and Astronomy, Riyadh (Saudi Arabia); Hadia, N.M.A.; Mohamed, S.H. [Sohag University, Physics Department, Faculty of Science, Sohag (Egypt)

    2017-04-15

    CdS nanobelts (NBs) were synthesized by vapor transport of CdS powders. The growth was carried out without any catalyst on quartz and Si (100) substrates. The synthesized CdS NBs were examined by transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM) and selected area electron diffraction (SAED), high-resolution transmission electron microscopy (HR-TEM), X-ray powder diffraction (XRD), energy dispersion analysis of X-ray (EDAX), spectrophotometer, and photoluminescence spectroscopy. CdS NBs were indexed as hexagonal wurtzite structure. The growth was via vapor-solid growth mechanism and along the [100] direction. The refractive index was evaluated in the transparent region, as suggested by Swanepoel, using the envelope method. The refractive index values and the extinction coefficient were decreased by increasing the wavelength. The calculated optical band gap was 2.50 eV. The photoluminescence (PL) spectrum of the synthesized CdS NBs exhibited a green emission peak at 510 nm and a broad red emission peak at 696 nm. The conductivity measurements were achieved, in the temperature range from 300 to 600 K, using the conventional two-probe technique. Two different slopes with different activation energies of 0.618 and 0.215 eV were obtained. The CdS NBs are likely being novel functional materials. Thus, they can be used in the manufacture of innovative optoelectronic nanodevices. (orig.)

  5. Structural, electronic and transport properties of armorphous/crystalline silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, Tim Ferdinand

    2011-06-15

    The present dissertation is concerned with the physical aspects of the a-Si:H/c-Si heterojunction in the context of PV research. In a first step, the technological development which took place in the framework of the thesis is summarized. Its main constituent was the development and implementation of ultrathin ({<=}10 nm) undoped a-Si:H[(i)a-Si:H] layers to improve the passivation of the c-Si surface with the goal of increasing the open-circuit voltage of the solar cell. It is shown that the effect of (i)a-Si:H interlayers depends on the c-Si substrate doping type, and that challenges exist particularly on the technologically more relevant (n)c-Si substrate. A precise optimization of (i)a-Si:H thickness and the doping level of the following a-Si:H top layers is required to realize an efficiency gain in the solar cell. In this chapter, the key scientific questions to be tackled in the main part of the thesis are brought up by the technological development. In the next chapter, the charge carrier transport through a-Si:H/c-Si heterojunctions is investigated making use of current-voltage (I/V) characteristics taken at different temperatures. The dominant transport mechanisms in a-Si:H/c-Si heterojunctions are identified, and the relevance for solar cell operation is discussed. It is found that in the bias regime relevant for solar cell operation, the theoretical framework for the description of carrier transport in classical c-Si solar cells applies as well, which enables to use I/V curves for a simple characterization of a-Si:H/c-Si structures. The next chapter deals with the microscopic characterization of ultrathin a-Si:H layers. Employing infrared spectroscopy, spectroscopic ellipsometry, photoelectron spectroscopy and secondary ion mass spectroscopy, the structural, electronic and optical properties of (i)a-Si:H are analyzed. It is found that ultrathin a-Si:H essentially behaves like layers of 10..100 times the thickness. This represents the basis for the

  6. The pore wall structure of porous semi-crystalline anatase TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Man-Ho; Doh, Jeong-Mann; Han, Seong Chul; Chae, Keun Hwa; Yu, Byung-Yong; Hong, Kyung Tae [Korea Institute of Science and Technology, Seoul (Korea, Republic of); Jackson, Andrew [NIST National Institute of Standards and Technology, Gaithersburg, MD (United States). Center for Neutron Research; Maryland Univ., College Park, MD (United States). Dept. of Materials Science and Engineering; Anovitz, Lawrence M. [Oak Ridge National Laboratory, Oak Ridge, TN (United States). Chemical Sciences Div.

    2011-12-15

    The structure of porous TiO{sub 2} prepared by electrochemical anodization in a fluoride-containing ethylene glycol electrolyte solution was quantitatively studied using small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS). The cylindrical pores along the coaxial direction were somewhat irregular in shape, were widely distributed in diameter, and seemed to have a broadly pseudo-hexagonal arrangement. The scattering from the pore wall showed a negative deviation from Porod scattering, indicating that the interface between TiO2 and the pore was not sharp. A density gradient of around 40-60 A at the pore wall (i.e. the interface between the pore and the TiO{sub 2} matrix) was estimated using both constant and semi-sigmoidal interface models. This gradient may be due to the presence of fluorine and carbon partially absorbed by the pore wall from the fluoride-containing electrolyte or to sorbed water molecules on the wall. The neutron contrast-matching point between the TiO{sub 2} matrix and the pores filled with liquid H{sub 2}O/D{sub 2}O mixtures was 51/49%(v/v) H{sub 2}O/D{sub 2}O, yielding an estimated mass density of 3.32 g cm{sup -3}. The specific surface area of the sample derived from the (U)SANS data was around 939-1003 m{sup 2} cm{sup -3} (283-302 m{sup 2} g{sup -1}). (orig.)

  7. Crystalline structure and electrical properties of solid solutions YNixMn1-xO3

    Directory of Open Access Journals (Sweden)

    Moure, C.

    1999-12-01

    Full Text Available Solid solutions belonging to the Mn-rich region of the YNiXMn1-XO3 system have been studied. The powders were prepared by solid state reaction between the corresponding oxides. Sintered ceramics were obtained by firing at 1325-1350ºC. The incorporation of 20 atomic % Ni2+ to the Yttrium manganite induces the formation of a perovskite phase, with orthorhombic symmetry. Increase of the Ni amount leads to an increase of the orthorhombicity factor b/a, up to an amount of 50 atomic % Ni2+. Above this Ni amount, a biphasic system has been observed, with the presence of unreacted Y2O3. DC electrical conductivity measurements have shown semiconducting behaviour for all the solid solutions with perovskite-type structure. The room temperature conductivity increases with Ni until ~33 atomic % Ni, and then decreases. The 50/50 Ni/Mn composition has different values of conductivity and activation energy against those corresponding to samples with lower values of that ionic ratio. Small polaron hopping mechanism controls the conductivity in these ceramics. Results are discussed as a function of the Mn3+/Mn4+ ratio for each composition.Se han estudiado las soluciones sólidas correspondientes a la región rica en Mn del sistema YNiXMn1-XO3, entre 0 y 50 atomic % Ni. Los compuestos fueron preparados por reacción en estado sólido de los óxidos correspondientes. Se sinterizaron materiales cerámicos a 1325-1350ºC. Con cantidades de 20 atomic % Ni se produce la formación de una fase con estructura de perovskita, y simetría ortorrómbica. La distorsión ortorrómbica crece con el contenido de Ni. Por encima de 50 atomic % Ni, aparece Y2O3 sin reaccionar. Las soluciones sólidas muestran semiconducción con valores de σ que aumentan con el contenido de Ni hasta ~33 atomic %, para luego decrecer, hasta x=0.5. La composición 50/50 Ni/Mn muestra un comportamiento eléctrico algo diferente. Se discuten los resultados en función de la razón Mn3+/Mn4+ para cada

  8. Systematic dynamic viscoelasticity measurements for chitin nanofibers prepared with various concentrations, disintegration times, acidities, and crystalline structures.

    Science.gov (United States)

    Suenaga, Shin; Osada, Mitsumasa

    2018-04-17

    Dynamic viscoelasticities were measured for chitin nanofiber (ChNF) dispersions prepared with various concentrations, disintegration times, acidities, and crystalline structures. The 0.05 w/v% dispersions of pH neutral ChNFs continuously exhibited elastic behavior. The 0.05 w/v% dispersions of acidified ChNFs, on the other hand, transitioned from a colloidal dispersion to a critical gel and then exhibited elastic behavior with increasing ChNF concentration. A double-logarithmic chart of the concentration vs. the storage modulus was prepared and indicated the fractal dimension and the nanostructure in the dispersion. The results determined that the neutral α- and β-ChNFs were dispersed but showed some remaining aggregations and that the acidified β-ChNFs were completely individualized. In addition, the α-chitin steadily disintegrated with increasing disintegration time, and the aspect ratio of the β-chitin decreased as a result of the exscessive disintegration. The storage moduli of the ChNFs were greater than those of chitin solutions, nanorods, and nanowhiskers with the same solids concentrations. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Improved Solar-Driven Photocatalytic Performance of Highly Crystalline Hydrogenated TiO2 Nanofibers with Core-Shell Structure

    Science.gov (United States)

    Wu, Ming-Chung; Chen, Ching-Hsiang; Huang, Wei-Kang; Hsiao, Kai-Chi; Lin, Ting-Han; Chan, Shun-Hsiang; Wu, Po-Yeh; Lu, Chun-Fu; Chang, Yin-Hsuan; Lin, Tz-Feng; Hsu, Kai-Hsiang; Hsu, Jen-Fu; Lee, Kun-Mu; Shyue, Jing-Jong; Kordás, Krisztián; Su, Wei-Fang

    2017-01-01

    Hydrogenated titanium dioxide has attracted intensive research interests in pollutant removal applications due to its high photocatalytic activity. Herein, we demonstrate hydrogenated TiO2 nanofibers (H:TiO2 NFs) with a core-shell structure prepared by the hydrothermal synthesis and subsequent heat treatment in hydrogen flow. H:TiO2 NFs has excellent solar light absorption and photogenerated charge formation behavior as confirmed by optical absorbance, photo-Kelvin force probe microscopy and photoinduced charge carrier dynamics analyses. Photodegradation of various organic dyes such as methyl orange, rhodamine 6G and brilliant green is shown to take place with significantly higher rates on our novel catalyst than on pristine TiO2 nanofibers and commercial nanoparticle based photocatalytic materials, which is attributed to surface defects (oxygen vacancy and Ti3+ interstitial defect) on the hydrogen treated surface. We propose three properties/mechanisms responsible for the enhanced photocatalytic activity, which are: (1) improved absorbance allowing for increased exciton generation, (2) highly crystalline anatase TiO2 that promotes fast charge transport rate, and (3) decreased charge recombination caused by the nanoscopic Schottky junctions at the interface of pristine core and hydrogenated shell thus promoting long-life surface charges. The developed H:TiO2 NFs can be helpful for future high performance photocatalysts in environmental applications.

  10. Study by X-ray diffraction of the crystalline structure versus time of a radioactive implanted coral and of a non radioactive implanted coral

    International Nuclear Information System (INIS)

    Irigaray, J.L.; Oudadesse, H.; Sauvage, T.; El Fadl, H.

    1993-01-01

    The corals used as biomaterials in bone surgery consist of 98% calcium carbonate in the form of aragonite and have orthorhombic crystalline structure. This structure changes progressively into a bone structure in an hexagonal form when the coral is implanted in cortical or spongy surroundings. For this experiment, a radioactive and a non radioactive coral have been implanted in the metaphysics of the ovine femur. The transformation of the orthorhombic structure into the hexagonal bone structure has been studied for the two types of implant. This makes it possible to verify if radioactivity modifies the process of transformation of the implanted biocoral. (K.A.) 3 refs.; 7 figs

  11. Study by X-ray diffraction of the crystalline structure versus time of a radioactive implanted coral and of a non radioactive implanted coral

    Energy Technology Data Exchange (ETDEWEB)

    Irigaray, J.L.; Oudadesse, H.; Sauvage, T.; El Fadl, H. [Clermont-Ferrand-2 Univ., 63 - Aubiere (France). Lab. de Physique Corpusculaire; Lefevre, J.; Barlet, J.P. [Institut National de Recherches Agronomiques, 63 -Saint-Genes-Champanelle (France)

    1993-12-31

    The corals used as biomaterials in bone surgery consist of 98% calcium carbonate in the form of aragonite and have orthorhombic crystalline structure. This structure changes progressively into a bone structure in an hexagonal form when the coral is implanted in cortical or spongy surroundings. For this experiment, a radioactive and a non radioactive coral have been implanted in the metaphysics of the ovine femur. The transformation of the orthorhombic structure into the hexagonal bone structure has been studied for the two types of implant. This makes it possible to verify if radioactivity modifies the process of transformation of the implanted biocoral. (K.A.) 3 refs.; 7 figs.

  12. Growth mechanisms, polytypism, and real structure of kaolinite microcrystals

    International Nuclear Information System (INIS)

    Samotoin, N. D.

    2008-01-01

    The mechanisms of growth of kaolinite microcrystals (0.1-5.0 μm in size) at deposits related to the cluvial weathering crust, as well as to the low-temperature and medium-temperature hydrothermal processes of transformations of minerals in different rocks in Russia, Kazakhstan, Ukraine, Czechia, Vietnam, India, Cuba, and Madagascar, are investigated using transmission electron microscopy and vacuum decoration with gold. It is established that kaolinite microcrystals grow according to two mechanisms: the mechanism of periodic formation of two-dimensional nuclei and the mechanism of spiral growth. The spiral growth of kaolinite microcrystals is dominant and occurs on steps of screw dislocations that differ in sign and magnitude of the Burgers vector along the c axis. The layered growth of kaolinite originates from a widespread source in the form of a step between polar (+ and -) dislocations, i.e., a growth analogue of the Frank-Read dislocation source. The density of growth screw dislocations varies over a wide range and can be as high as ∼10 9 cm -2 . Layered stepped kaolinite growth pyramids for all mechanisms of growth on the (001) face of kaolinite exhibit the main features of the triclinic 1Tc and real structures of this mineral.

  13. Transferability of results of small scale experiments to real structures

    International Nuclear Information System (INIS)

    Schmitt, W.; Siegele, D.; Kordisch, H.; Baudendistel, E.

    1983-01-01

    The good agreement of the experimental J-values and the numerical J confirms the experimental procedure to evaluate J from the work done on the specimen. This is important for the application of single specimen techniques. The next logical steps in the chain of transferability will now be - after the verification of the three-dimensional crack growth calculations - the experimental and numerical analysis of configuration closer to real structures, e.g. part-through surface flaws in plates and pipes. Starting from a semi-elliptical fatigue flaw the dark regime of stable tearing does no longer follow the original elliptical shape. The explanation of this behavior can only be expected if all possible three-dimensional effects are taken into account. Those three-dimensional effects are also apparent even in compact specimens if no sidegrooves are used. In a first test of the three-dimensional crack growth capabilities of the IWM version of ADINA this experiment has been simulated and loaded up to a displacement of about half the final displacement in the test. (orig./RW)

  14. Real-time range acquisition by adaptive structured light.

    Science.gov (United States)

    Koninckx, Thomas P; Van Gool, Luc

    2006-03-01

    The goal of this paper is to provide a "self-adaptive" system for real-time range acquisition. Reconstructions are based on a single frame structured light illumination. Instead of using generic, static coding that is supposed to work under all circumstances, system adaptation is proposed. This occurs on-the-fly and renders the system more robust against instant scene variability and creates suitable patterns at startup. A continuous trade-off between speed and quality is made. A weighted combination of different coding cues--based upon pattern color, geometry, and tracking--yields a robust way to solve the correspondence problem. The individual coding cues are automatically adapted within a considered family of patterns. The weights to combine them are based on the average consistency with the result within a small time-window. The integration itself is done by reformulating the problem as a graph cut. Also, the camera-projector configuration is taken into account for generating the projection patterns. The correctness of the range maps is not guaranteed, but an estimation of the uncertainty is provided for each part of the reconstruction. Our prototype is implemented using unmodified consumer hardware only and, therefore, is cheap. Frame rates vary between 10 and 25 fps, dependent on scene complexity.

  15. Crystalline and Electronic Structures and Magnetic and Electrical Properties of La-Doped Ca2Fe2O5 Compounds

    Science.gov (United States)

    Phan, T. L.; Tho, P. T.; Tran, N.; Kim, D. H.; Lee, B. W.; Yang, D. S.; Thiet, D. V.; Cho, S. L.

    2018-01-01

    Brownmillerite Ca2Fe2O5 has been observed to exhibit many outstanding properties that are applicable to ecotechnology. However, very little work on doped Ca2Fe2O5 compounds has been carried out to widen their application scope. We present herein a detailed study of the crystalline/geometric and electronic structures and magnetic and electrical properties of Ca2- x La x Fe2O5 ( x = 0 to 1) prepared by conventional solid-state reaction. X-ray diffraction patterns indicated that the compounds with x = 0 to 0.05 exhibited brownmillerite-type single phase. La doping with higher content ( x ≥ 0.1) stimulated additive formation of Grenier- (LaCa2Fe3O8) and perovskite-type (LaFeO3) phases. Extended x-ray absorption fine structure spectroscopy at the Fe K-edge and electron spin resonance spectroscopy revealed presence of Fe3+ in the parent Ca2Fe2O5 ( x = 0) and both Fe3+ and Fe4+ in the doped compounds ( x ≥ 0.05). The Fe4+ content tended to increase with increasing x. This stimulates ferromagnetic exchange interactions between Fe3+ and Fe4+ ions and directly influences the magnetic properties of Ca2- x La x Fe2O5. Electrical resistivity ( ρ) measurements in the temperature range of T = 20 K to 400 K revealed that all the compounds exhibit insulator behavior; the ρ( T) data for x ≥ 0.1 could be described based on the adiabatic small polaron hopping model.

  16. C-Ni-Pd and CNT-Ni-Pd film's molecular and crystalline structure investigations by FTIR spectroscopy and XRD diffraction

    Science.gov (United States)

    Stepińska, Izabela; Czerwosz, ElŻbieta; Diduszko, Ryszard; Kozłowski, Mirosław; Wronka, Halina

    2017-08-01

    In this work molecular and crystalline structure of new type of nanocomposite films were investigated. These films compose of CNT decorated with palladium nanograins. They were prepared on a base of C-Ni films modified in CVD process. C-Ni nanocomposite films were obtained by PVD process and their modification by CVD leads to a growth of CNT film. CNTs-Ni or C-Ni films were treated with additional PVD process with palladium. Nickel and palladium acetate and fulleren C60 are precursors of films in PVD process. FTIR spectroscopy was used to studied the molecular structure of film in every stage of preparation . The crystalline structure of these films was studied by X-ray diffraction. SEM (scanning electron microscopy) was applied to investigate film's surface topography.

  17. Real-time centre detection of an OLED structure

    NARCIS (Netherlands)

    Pieters, R.S.; Jonker, P.P.; Nijmeijer, H.

    2009-01-01

    The research presented in this paper focuses on real-time image processing for visual servoing, i.e. the positioning of a x-y table by using a camera only instead of encoders. A camera image stream plus real-time image processing determines the position in the next iteration of the table controller.

  18. Real-Time Center Detection of an OLED Structure

    NARCIS (Netherlands)

    Pieters, R.S.; Jonker, P.P.; Nijmeijer, H.; Blanc-Talon, J.; Philips, W.; Popescu, D.; Scheunders, P.

    2009-01-01

    The research presented in this paper focuses on real-time image processing for visual servoing, i.e. the positioning of a x-y table by using a camera only instead of encoders. A camera image stream plus real-time image processing determines the position in the next iteration of the table controller.

  19. Liquid crystalline dihydroazulene photoswitches

    DEFF Research Database (Denmark)

    Petersen, Anne Ugleholdt; Jevric, Martyn; Mandle, Richard J.

    2015-01-01

    A large selection of photochromic dihydroazulene (DHA) molecules incorporating various substituents at position 2 of the DHA core was prepared and investigated for their ability to form liquid crystalline phases. Incorporation of an octyloxy-substituted biphenyl substituent resulted in nematic...... phase behavior and it was possible to convert one such compound partly into its vinylheptafulvene (VHF) isomer upon irradiation with light when in the liquid crystalline phase. This conversion resulted in an increase in the molecular alignment of the phase. In time, the meta-stable VHF returns...... to the DHA where the alignment is maintained. The systematic structural variation has revealed that a biaryl spacer between the DHA and the alkyl chain is needed for liquid crystallinity and that the one aromatic ring in the spacer cannot be substituted by a triazole. This work presents an important step...

  20. Crystalline α-Sm2S3 nanowires: Structure and optical properties of an unusual intrinsically degenerate semiconductor

    International Nuclear Information System (INIS)

    Marin, Chris M.; Wang, Lu; Brewer, Joseph R.; Mei, Wai-Ning; Cheung, Chin Li

    2013-01-01

    Highlights: ► Developed a rapid synthetic method to generate thin films of α-Sm 2 S 3 nanowires. ► Calculated the electronic structure of α-Sm 2 S 3 by density functional theory. ► Predicted that α-Sm 2 S 3 is an intrinsically degenerate p-type semiconductor. ► Found that the gap in the band states of α-Sm 2 S 3 could be engineered to 1.3 eV via sulfur vacancy. -- Abstract: The lanthanide sulfides have long been a promising class of semiconductors because of their infrared-to-visible range band gaps and excellent thermoelectric properties. However, their applications have been limited due to their time consuming conventional synthetic processes and the lack of sufficient understanding of their electronic properties. To address these shortcomings, here we report a rapid, chemical vapor deposition route which results in thin films of crystalline α-phase samarium sesquisulfide (α-Sm 2 S 3 ) nanowires within a few hours, rather than the typical 4–7 days required in previous synthetic processes. In addition, density functional theory was, for the first time, utilized to calculate the electronic band structure of α-Sm 2 S 3 in order to shed insight into the interpretation of their UV–Vis absorption spectrum. We found that the theoretical direct gap in the band states of α-Sm 2 S 3 is 1.7 eV. Computation results suggest that this gap can be tuned to a solar optimal ∼1.3 eV via systematic sulfur vacancy sites engineered into the crystal structure. Most significantly, the degenerate semiconductor-like behavior long observed in lanthanide sulfide samples have been shown to be present even in the ideal α-Sm 2 S 3 structure, suggesting that the observed heavily p-type behavior is an unusual intrinsic property of the material resulting from the Fermi level being located significantly below the optically active 1.7 eV band edge

  1. Renal Epithelial Cell Injury Induced by Calcium Oxalate Monohydrate Depends on their Structural Features: Size, Surface, and Crystalline Structure.

    Science.gov (United States)

    Sun, Xin-Yuan; Ouyang, Jian-Ming; Gan, Qiong-Zhi; Liu, Ai-Jie

    2016-11-01

    Urinary crystals in normal and kidney stone patients often differ in crystal sizes and surface structures, but the effects of different crystal properties on renal tubular epithelial cells remain unclear. This study aimed to compare the cytotoxicity of micron/nano-calcium oxalate monohydrate (COM) crystals with sizes of 50 nm, 200 nm, 1 μm, 3 μm, and 10 μm to African green monkey renal epithelial (Vero) cells, to reveal the effect of crystal size and surface structure on cell injury, and to investigate the pathological mechanism of calcium oxalate kidney stones. Cell viability, cellular biochemical parameters, and internalized crystal amount in Vero cells were closely associated with the size of COM crystals. At the same concentration (200 μg/mL), COM-1 μm induced the most serious injury to Vero cells and caused the most significant change to cellular biochemical parameters, which were related to the specific porous structure and highest internalized amount in Vero cells. By contrast, COM-50 nm and COM-200 nm crystals lost their small size effect because of serious aggregation and weakened their toxicity to cells. COM-3 μm and COM-10 μm crystals were too large for cells to completely internalize; these crystals also exhibited a low specific surface area and thus weakened their toxicity. The excessive expression of intracellular ROS and reduction of the free-radical scavenger SOD were the main reasons for cell injury and eventually caused necrotic cell death. Crystal size, surface structure, aggregation, and internalization amount were closely related to the cytotoxicity of COM crystals.

  2. Investigations of the electronic, magnetic and crystalline structure of perovskite oxides and an oxide-oxide interface

    International Nuclear Information System (INIS)

    Raisch, Christoph Werner

    2013-01-01

    manganese atoms and their surrounding oxygen octahedra while the rather passive lanthanum (or strontium in STO) mainly donates it's three electrons to MnO 6 (or TiO 6 ). These corner-shared units are not only the building blocks of a tightly bound 3D network; they are also responsible for the transport and magnetic properties. It is thus easy to see, how perturbations like doping, strain, cation size mismatch, anion vacancies or the Jahn-Teller effect can affect the properties of these samples. Another way to look at the perovskites is to think of a stack of alternating layers. Both concepts are used in this work, whenever they fit. In SrTiO 3 for example, charge neutral [Sr 2+ O 2- ] and [Ti 4+ O 2 2- ] layers follow upon each other when viewed along the [001] direction. In this picture LaMnO 3 consists of an array of positively charged [La 3+ O 2- ] and negatively charged [Mn 3+ O 2 2- ] layers. When these two materials meet at an interface (even with vacuum), a polar discontinuity is created which must lead to some form of structural or electronic reconstruction. For an interface between for instance LaAlO 3 and SrTiO 3 it is important to know which layers meet there, since the SrO-AlO 2 interface is insulating while the TiO 2 -LaO interface is conducting. The first set of experiments (chapter 5) described in the underlying work deals with the termination of STO and the changes found on the surface for different preparation conditions. The knowledge and control of the exact termination of the substrate is of importance for the overlayers. Atomic control of the arrangement at the surface is the key for obtaining high-quality overlayers with the desired properties. The second and third part of the experiments was performed on doped manganites, overlayers on STO. The electronic, magnetic and crystal structure is in detail examined for the Cerium doped lanthanum manganite LCeMO in chapter 6. With this knowledge in mind, the electronic and crystalline structures of

  3. RELATIONSHIP BETWEEN CRYSTALLINE STRUCTURE AND OPTICAL PROPERTIES OF WHEAT (Triticum aestevum L. STRAW SODA-OXYGEN PULP

    Directory of Open Access Journals (Sweden)

    Esat Gümüşkaya

    2003-04-01

    Full Text Available In this study; pulp was produced with soda-oxygen process by using wheat (Triticum aestevum L. straw as raw material and this pulp bleached with hypocholoride (H and peroxyde (P stages. It was found that crystalline properties of unbleached and bleached pulp samples increased by removing amorphous components. In addition, paper sheets made from unbleached and bleached soda-oxygen pulp and determined their optical properties. Consequently; while crystalline properties of pulp samples was rising with HP bleaching, it was determined that optical properties of paper sheets improved with bleaching.

  4. γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei, E-mail: xuzhiwei@tjpu.edu.cn; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

    2017-05-01

    Highlights: • Graphene oxide sheets supported Ag nanoparticles composites are successfully prepared via γ-irradiation without surfactant or functional agent. • Ag nanoparticles exhibit single crystalline structure and parabolic distribution on the surface of graphene oxide sheets. • Proposing a view that the growth of intercellular AgNPs can be limited by graphite oxide. - Abstract: This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 10{sup 6} and detection limit of 1.0 × 10{sup −7} M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

  5. γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

    International Nuclear Information System (INIS)

    Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

    2017-01-01

    Highlights: • Graphene oxide sheets supported Ag nanoparticles composites are successfully prepared via γ-irradiation without surfactant or functional agent. • Ag nanoparticles exhibit single crystalline structure and parabolic distribution on the surface of graphene oxide sheets. • Proposing a view that the growth of intercellular AgNPs can be limited by graphite oxide. - Abstract: This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 10"6 and detection limit of 1.0 × 10"−"7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

  6. Demonstration of thin film pair distribution function analysis (tfPDF for the study of local structure in amorphous and crystalline thin films

    Directory of Open Access Journals (Sweden)

    Kirsten M. Ø. Jensen

    2015-09-01

    Full Text Available By means of normal-incidence, high-flux and high-energy X-rays, total scattering data for pair distribution function (PDF analysis have been obtained from thin films (tf, suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. The `tfPDF' method is illustrated through studies of as-deposited (i.e. amorphous and crystalline FeSb3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb6 octahedra with motifs highly resembling the local structure in crystalline FeSb3. Analysis of the amorphous structure allows the prediction of whether the final crystalline product will form the FeSb3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films.

  7. γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

    Science.gov (United States)

    Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

    2017-05-01

    This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 106 and detection limit of 1.0 × 10-7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

  8. Early changes in retinal structure and BMP2 expression in the retina and crystalline lens of streptozotocin-induced diabetic pigs.

    Science.gov (United States)

    Jeong, Jae Seung; Lee, Woon-Kyu; Moon, Yeon Sung; Kim, Na Rae

    2017-09-01

    This study aims to evaluate early changes in retinal structure and BMP2 expression in the retina and crystalline lens by comparing streptozotocin-induced diabetic pigs and normal control group pigs. Five eye samples from five diabetic Micro-pigs (Medikinetics, Pyeongtaek, Korea) and five eye samples from five control pigs bred in a specific pathogen-free area were used. Diabetes was developed through intravenous injection of nicotinamide and streptozotocin, and the average fasting glucose level was maintained at 250 mg/dL or higher for 16 weeks. To evaluate BMP2 expression in the retina and crystalline lens, Western blotting was performed. In Hematoxylin and Eosin staining, most diabetic pigs showed structural abnormalities in the inner plexiform layer. The number of nuclei in the ganglion cell layer within the range of 10 4 µm 2 was 3.78±0.60 for diabetic pigs and 5.57±1.07 for control group pigs, showing a statistically significant difference. In immunohistochemical staining, diabetic retinas showed an overall increase in BMP2 expression. In Western blotting, the average BMP2/actin level of diabetic retinas was 1.19±0.05, showing a significant increase compared to the 1.06±0.03 of the control group retinas ( P =0.016). The BMP2/actin level of diabetic crystalline lenses was similar to the control group crystalline lenses ( P =0.730). Compared to control group pigs, the number of nuclei in the inner nuclear layer of retinas from streptozotocin-induced diabetic pigs decreased, while an increase in BMP2 expression was observed in the retina of diabetic pigs.

  9. Evaluation of the effect of roasting process on the energy transition and the crystalline structures of Arabica, Robusta, and Liberica coffee from Jambi Indonesia

    Science.gov (United States)

    Perdana, B. M.; Manihuruk, R.; Ashyar, R.; Heriyanti; Sutrisno

    2018-04-01

    The effect of the roasting process has been evaluated to determine of the energy transition and the crystalline structure of three types of coffee, Arabica, Robusta, and Liberica coffee both green and roasted coffee with the roasted temperature at 200°C and 230°C. The crystalline structure of the coffee was evaluated with X-ray powder diffraction (XRD). The result exposes that the three types of green coffee showed that an amorphous structure whereas the roasted coffee denotes a crystal structure of sucrose. The varied temperature in the roasting process leads to changes in the crystal structure shown by the peak shift of 2θ for all types of coffee. The added cations, such as Fe2+, Ca2+, and Mg2+ ions on Liberica coffee induced of changes in the crystal structures, which are assigned by the peak shift, that imply of metal ions of the sucrose complexes happened in the solution, except for the addition of Mg2+ ion.

  10. Crystalline structure and XMCD studies of Co40Fe40B20 grown on Bi2Te3, BiTeI and Bi2Se3

    OpenAIRE

    Kaveev, A. K.; Sokolov, N. S.; Suturin, S. M.; Zhiltsov, N. S.; Golyashov, V. A.; Tereshchenko, O. E.; Prosvirin, I. P.; Kokh, K. A.; Sawada, M.

    2018-01-01

    Epitaxial films of Co40Fe40B20 (further - CoFeB) were grown on Bi2Te3(001) and Bi2Se3(001) substrates by laser molecular beam epitaxy (LMBE) technique at 200-400C. Bcc-type crystalline structure of CoFeB with (111) plane parallel to (001) plane of Bi2Te3 was observed, in contrast to polycrystalline CoFeB film formed on Bi2Se3(001) at RT using high-temperature seeding layer. Therefore, structurally ordered ferromagnetic thin films were obtained on the topological insulator surface for the firs...

  11. A structural VAR analysis of electricity consumption and real GDP: Evidence from the G7 countries

    International Nuclear Information System (INIS)

    Narayan, Paresh Kumar; Narayan, Seema; Prasad, Arti

    2008-01-01

    In this paper, we depart from the literature on electricity consumption-real GDP in that for the first time we examine the reaction of real GDP to shocks in electricity consumption. To achieve this goal, we use the structural vector autoregressive (SVAR) model and examine the impact of electricity consumption shocks on real GDP for the G7 countries. We find that except for the USA, electricity consumption has a statistically significant positive impact on real GDP over short horizons. This finding implies that except for the USA, electricity conservation policies will hurt real GDP in the G7 countries

  12. Crystalline beam ground state

    International Nuclear Information System (INIS)

    Wei, Jie; Li, Xiao-Ping

    1993-01-01

    In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Schiffer et al. depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

  13. Correction of Motion Artifacts for Real-Time Structured Light

    DEFF Research Database (Denmark)

    Wilm, Jakob; Olesen, Oline Vinter; Paulsen, Rasmus Reinhold

    2015-01-01

    While the problem of motion is often mentioned in conjunction with structured light imaging, few solutions have thus far been proposed. A method is demonstrated to correct for object or camera motion during structured light 3D scene acquisition. The method is based on the combination of a suitabl...

  14. Structural characteristics of single crystalline GaN films grown on (111) diamond with AlN buffer

    DEFF Research Database (Denmark)

    Pécz, Béla; Tóth, Lajos; Barna, Árpád

    2013-01-01

    Hexagonal GaN films with the [0001] direction parallel to the surface normal were grown on (111) oriented single crystalline diamond substrates by plasma-assisted molecular beam epitaxy. Pre-treatments of the diamond surface with the nitrogen plasma beam, prior the nucleation of a thin AlN layer......, eliminated the inversion domains and reduced the density of threading dislocations in the GaN epilayers. The films have an in-plane epitaxial relationship [1010]GaN//[110]diamond. Thus GaN (0001) thin films of single epitaxial relationship and of single polarity were realised on diamond with AlN buffer....

  15. Real non-abelian mixed hodge structures for quasi-projective varieties

    CERN Document Server

    Pridham, J P

    2016-01-01

    The author defines and constructs mixed Hodge structures on real schematic homotopy types of complex quasi-projective varieties, giving mixed Hodge structures on their homotopy groups and pro-algebraic fundamental groups. The author also shows that these split on tensoring with the ring \\mathbb{R}[x] equipped with the Hodge filtration given by powers of (x-i), giving new results even for simply connected varieties. The mixed Hodge structures can thus be recovered from the Gysin spectral sequence of cohomology groups of local systems, together with the monodromy action at the Archimedean place. As the basepoint varies, these structures all become real variations of mixed Hodge structure.

  16. Recording of X-ray diffraction patterns for the investigation of transient changes in the crystalline structure of materials subjected to the action of shock waves

    International Nuclear Information System (INIS)

    Jamet, F.; Thomer, G.

    An arrangement including a flash X-ray tube and an image intensifier has been designed and built in order to record X-ray diffraction patterns with exposure times of the order of 100nsec. This arrangement allows Laue patterns (polychromatic radiation) as well as powder patterns (copper K(α) radiation) to be recorded. Examples for record are shown. As an application to the investigation of transient changes in crystalline structures, the Debye-Scherrer patterns of potassium chloride undergoing the dynamic action of shock waves were recorded. The first results achieved are discussed [fr

  17. Structure and magnetic properties of Zn1-xCoxO single-crystalline nanorods synthesized by a wet chemical method

    International Nuclear Information System (INIS)

    Wang Hao; Wang, H B; Yang, F J; Chen, Y; Zhang, C; Yang, C P; Li, Q; Wong, S P

    2006-01-01

    A novel approach for the synthesis of cobalt-doped ZnO single-crystalline nanorods based on a wet chemical reaction has been developed. The as-doped ZnO nanorods have a length between 0.3 and 0.6 μm and a diameter between 30 and 60 nm. Structure and composition analyses indicate that the cobalt is incorporated into the ZnO lattice, forming a solid solution without any precipitation. Magnetic property measurements reveal that there is room-temperature ferromagnetism in the Zn 1-x Co x O nanorods with T c higher than 300 K

  18. Raman and infrared spectroscopic studies of the structure of water (H2O, HOD, D2O) in stoichiometric crystalline hydrates and in electrolyte solutions

    International Nuclear Information System (INIS)

    Buanam-Om, C.

    1981-01-01

    The chapter of reviews presents in particular the Badger-Bauer-rule, distance and angle dependence of O-H...Y hydrogen bond and the structure of aqueous electrolyte solutions. A chapter of vibrational spectroscopic investigations of crystalline hydrates - metal perchlorate hydrates follows. Two further chapters just so investigate metal halide hydrates and some sulfate hydrates and related systems. The following chapter describes near infrared spectroscopic investigations of HOD(D 2 O) and its electrolyte solutions. The concluding chapter contains thermodynamic consequences and some properties of electrolyte solutions from vibrational spectroscopic investigations. (SPI) [de

  19. X-ray absorption spectroscopy of single-crystalline (VO)2P2O7: Electronic structure and possible exchange paths

    International Nuclear Information System (INIS)

    Gerhold, S.; Nu''cker, N.; Kuntscher, C. A.; Schuppler, S.; Stadler, S.; Idzerda, Y. U.; Prokofiev, A. V.; Bu''llesfeld, F.; Assmus, W.

    2001-01-01

    Using polarization-dependent V2p and O1s near-edge x-ray absorption spectroscopy, we studied the unoccupied electronic structure of single-crystalline (VO) 2 P 2 O 7 . It is highly anisotropic, and shows similarities to vanadium oxides like VO 2 and V 2 O 5 at the V2p edge and at the O1s threshold. The contributions from V-O and P-O orbitals could be identified. The results rule out the spin ladder model for the magnetic behavior of (VO) 2 P 2 O 7 , but are consistent with the alternating chain scenario

  20. Real-Time Structural Overload Control via Control Allocation Optimization Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This control methodology utilizes real-time vehicle structural load and shape measurements to actively respond to and protect against vehicle damage due to...

  1. Multivariate analysis of DSC-XRD simultaneous measurement data: a study of multistage crystalline structure changes in a linear poly(ethylene imine) thin film.

    Science.gov (United States)

    Kakuda, Hiroyuki; Okada, Tetsuo; Otsuka, Makoto; Katsumoto, Yukiteru; Hasegawa, Takeshi

    2009-01-01

    A multivariate analytical technique has been applied to the analysis of simultaneous measurement data from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) in order to study thermal changes in crystalline structure of a linear poly(ethylene imine) (LPEI) film. A large number of XRD patterns generated from the simultaneous measurements were subjected to an augmented alternative least-squares (ALS) regression analysis, and the XRD patterns were readily decomposed into chemically independent XRD patterns and their thermal profiles were also obtained at the same time. The decomposed XRD patterns and the profiles were useful in discussing the minute peaks in the DSC. The analytical results revealed the following changes of polymorphisms in detail: An LPEI film prepared by casting an aqueous solution was composed of sesquihydrate and hemihydrate crystals. The sesquihydrate one was lost at an early stage of heating, and the film changed into an amorphous state. Once the sesquihydrate was lost by heating, it was not recovered even when it was cooled back to room temperature. When the sample was heated again, structural changes were found between the hemihydrate and the amorphous components. In this manner, the simultaneous DSC-XRD measurements combined with ALS analysis proved to be powerful for obtaining a better understanding of the thermally induced changes of the crystalline structure in a polymer film.

  2. Electronic structure of clean and Ag-covered single-crystalline Bi2Sr2CuO6

    International Nuclear Information System (INIS)

    Lindberg, P.A.P.; Shen, Z.; Wells, B.O.; Mitzi, D.B.; Lindau, I.; Spicer, W.E.; Kapitulnik, A.

    1989-01-01

    Photoemission studies of single-crystalline samples of Bi 2 Sr 2 CuO 6 show clear resemblance to the corresponding data for single crystals of Bi 2 Sr 2 CaCu 2 O 8 . In particular, a sharp Fermi-level cutoff, giving evidence of metallic conductivity at room temperature, as well as single-component O 1s emission and Cu 2p satellites with a strength amounting to about 50% of that of the main Cu 2p line, are observed. An analysis of the relative core-level photoemission intensities shows that the preferential cleavage plane of single-crystalline Bi 2 Sr 2 CuO 6 is between adjacent Bi-O layers. Deposition of Ag adatoms causes only weak reaction with the Bi and O ions of the Bi 2 Sr 2 CuO 6 substrate, while the Cu states rapidly react with the Ag adatoms, as monitored by a continuous reduction of the Cu 2p satellite intensity as the Ag overlayer becomes thicker

  3. The effect of concentration on the structure and crystallinity of a cementitious waste form for caustic wastes

    International Nuclear Information System (INIS)

    Chung, Chul-Woo; Turo, Laura A.; Ryan, Joseph V.; Johnson, Bradley R.; McCloy, John S.

    2013-01-01

    Highlights: ► Cast Stone: Portland cement, fly ash, blast furnace slag, and simulated nuclear waste. ► Caustic secondary waste from the off-gas of a vitrification process was targeted. ► Crystallinity, micro- and mesostructure, and engineering properties characterized. ► Waste concentration varied from 0 to 2.5 M, but caused minimal changes. ► Cast Stone shows good compositional versatility as a secondary waste form. -- Abstract: Cement-based waste forms have long been considered economical technologies for disposal of various types of waste. A solidified cementitious waste form, Cast Stone, has been identified to immobilize the radioactive secondary waste from vitrification processes. In this work, Cast Stone was considered for a Na-based caustic liquid waste, and its physical properties were analyzed as a function of liquid waste loading up to 2 M Na. Differences in crystallinity (phase composition), microstructure, mesostructure (pore size distribution and surface area), and macrostructure (density and compressive strength) were investigated using various analytical techniques, in order to assess the suitability of Cast Stone as a chemically durable waste. It was found that the concentration of secondary waste simulant (caustic waste) had little effect on the relevant engineering properties of Cast Stone, showing that Cast Stone could be an effective and tolerant waste form for a wide range of concentrations of high sodium waste

  4. SLStudio: Open-source framework for real-time structured light

    DEFF Research Database (Denmark)

    Wilm, Jakob; Olesen, Oline Vinter; Larsen, Rasmus

    2014-01-01

    that this software makes real-time 3D scene capture more widely accessible and serves as a foundation for new structured light scanners operating in real-time, e.g. 20 depth images per second and more. The use cases for such scanners are plentyfull, however due to the computational constraints, all public......An open-source framework for real-time structured light is presented. It is called “SLStudio”, and enables real-time capture of metric depth images. The framework is modular, and extensible to support new algorithms for scene encoding/decoding, triangulation, and aquisition hardware. It is the aim...... implementations so far are limited to offline processing. With “SLStudio”, we are making a platform available which enables researchers from many different fields to build application specific real time 3D scanners. The software is hosted at http://compute.dtu.dk/~jakw/slstudio....

  5. Structure and Hierarchy in Real-Time Systems

    DEFF Research Database (Denmark)

    Möller, Michael Oliver

    The development of digital systems is particularly challenging, if their correctness depends on the right timing of operations. One approach to enhance the reliability of such systems is model-based development. This allows for a formal analysis throughout all stages of design. Model......-based development is hindered mainly by the lack of adequate modeling languages and the high computational cost of the analysis. In this thesis we improve the situation along both axes. First, we bring the mathematical model closer to the human designer. This we achieve by casting hierarchical structures--as known...... that have the potential to reduce time and memory consumption drastically. The first technique makes use of structural information, in particular loops, to exploit regularities in the reachable state space. Via shortcut-like additions to the model we avoid repetition of similar states during an exhaustive...

  6. Solar assisted alkali pretreatment of garden biomass: Effects on lignocellulose degradation, enzymatic hydrolysis, crystallinity and ultra-structural changes in lignocellulose

    International Nuclear Information System (INIS)

    Gabhane, Jagdish; William, S.P.M. Prince; Vaidya, Atul N.; Das, Sera; Wate, Satish R.

    2015-01-01

    Highlights: • SAAP is an efficient and economic means of pretreatment. • SAAP was found to be efficient in lignin and hemicellulose removal. • SAAP enhanced the enzymatic hydrolysis. • FTIR, XRD and SEM provided vivid understanding about the mode of action of SAAP. • Mass balance closer of 98% for pretreated GB confirmed the reliability of SAAP. - Abstract: A comprehensive study was carried out to assess the effectiveness of solar assisted alkali pretreatment (SAAP) on garden biomass (GB). The pretreatment efficiency was assessed based on lignocellulose degradation, conversion of cellulose into reducing sugars, changes in the ultra-structure and functional groups of lignocellulose and impact on the crystallinity of cellulose, etc. SAAP was found to be efficient for the removal of lignin and hemicellulose that facilitated enzymatic hydrolysis of cellulose. FTIR and XRD studies provided details on the effectiveness of SAAP on lignocellulosic moiety and crystallinity of cellulose. Scanning electron microscopic analysis showed ultra-structural disturbances in the microfibrils of GB as a result of pretreatment. The mass balance closer of 97.87% after pretreatment confirmed the reliability of SAAP pretreatment. Based on the results, it is concluded that SAAP is not only an efficient means of pretreatment but also economical as it involved no energy expenditure for heat generation during pretreatment

  7. An analogue of long-term stability of flow-path structure in crystalline rocks distributed in the orogenic belt, Japan

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, H. [Nagoya University, University Museum Material Research Section, 464-8601, Chikusa, Nagoya, 464-8601 (Japan)]. E-mail: dora@num.nagoya-u.ac.jp; Takeuchi, M. E-mail: takeuchi@eps.nagoya-u.ac.jp

    2004-07-01

    In the orogenic belt, in the Japanese islands, crystalline rocks from the youngest to older ages and of different orders have been identified which have formed massive areas. The fracture system observed within these rock masses implies that the groundwater and solute can be conducted through the fracture's network. It is expected that the nuclides can be retarded due to chemical sorption and/or physical retardation by the fracture fillings and fracture open pore geometry. Most of the evaluation framework of the nuclides retardation process in the geological disposal of high level radioactive waste (HLW) is, however, basically taken into account in the present geological state, without changes of structural and mineralogical features, and in its influence on the groundwater flow system over a long period of time. This paper seeks analogous evidence that can provide the confidence of such evaluation methodology and its long-term applicability. Here, we describe the fracture system developed in the crystalline rock with the different ages intruded in the orogenic belt in order to build the long-term fracturing and its 'stability' model. In particular, comparisons with the rock of 1.9-0.8 Ma Takidani Granodiorite (the youngest pluton in the world), ca. 67 Ma of Toki Granite and ca. 117 Ma Kurihashi Granodiorite located in central to northwest Japan suggest a unique characteristic of the fracture forming process and their relatively stable geometrical changing. This analogue enables us to provide a model to build the confidence of a safety context applicable for the geological setting under the orogenic field with a long-term scale. The model may also be useful for other stable tectonic settings as well as for a site characterisation methodology of crystalline rock for HLW geological disposal. (author)

  8. Crystalline beams

    International Nuclear Information System (INIS)

    Schiffer, J.P.

    1989-01-01

    Ions in a storage ring are confined to a mean orbit by focusing elements. To a first approximation these may be described by a constant harmonic restoring force: F = -Kr. If the particles in the frame moving along with the beam have small random thermal energies, then they will occupy a cylindrical volume around the mean orbit and the focusing force will be balanced by that from the mutual repulsion of the particles. Inside the cylinder only residual two-particle interactions will play a significant role and some form of ordering might be expected to take place. The results of some of the first MD calculations showed a surprising result: not only were the particles arranged in the form of a tube, but they formed well-defined layers: concentric shells, with the particles in each shell arranged in a hexagonal lattice that is characteristic of two-dimensional Coulomb systems. This paper discusses the condense layer structure

  9. Crystalline beam ground state

    International Nuclear Information System (INIS)

    Wei, Jie; Li, Xiao-Ping; Sessler, A.M.

    1993-01-01

    In order to employ Molecular Dynamics method, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

  10. Crystalline beam ground state

    International Nuclear Information System (INIS)

    Wei, J.; Li, X.P.

    1993-01-01

    In order to employ the Molecular Dynamics method, commonly used in condensed matter physics, the authors have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. They include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

  11. Structural morphology, upconversion luminescence and optical thermometric sensing behavior of Y2O3:Er(3+)/Yb(3+) nano-crystalline phosphor.

    Science.gov (United States)

    Joshi, C; Dwivedi, A; Rai, S B

    2014-08-14

    Infrared-to-visible upconverting rare earths Er(3+)/Yb(3+) co-doped Y2O3 nano-crystalline phosphor samples have been prepared by solution combustion method followed by post-heat treatment at higher temperatures. A slight increase in average crystallite size has been found on calcinations verified by X-ray analysis. Transmission electron microscopy (TEM) confirms the nano-crystalline nature of the as-prepared and calcinated samples. Fourier transform infrared (FTIR) analysis shows the structural changes in as-prepared and calcinated samples. Upconversion and downconversion emission recorded using 976 and 532 nm laser sources clearly demonstrates a better luminescence properties in the calcinated samples as compared to as-prepared sample. Upconversion emission has been quantified in terms of standard chromaticity diagram (CIE) showing a shift in overall upconversion emission of as-prepared and calcinated samples. Temperature sensing behaviour of this material has also been investigated by measurement of fluorescence intensity ratio (FIR) of various signals in green emission in the temperature range of 315 to 555 K under 976 nm laser excitation. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Characterization of carrier transport properties in strained crystalline Si wall-like structures in the quasi-quantum regime

    Energy Technology Data Exchange (ETDEWEB)

    Mayberry, C. S.; Huang, Danhong, E-mail: danhong.huang@us.af.mil; Kouhestani, C. [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Balakrishnan, G. [Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Islam, N. [Department of Electrical and Computer Engineering, University of Missouri-Columbia, Columbia, Missouri 65211 (United States); Brueck, S. R. J. [Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Sharma, A. K. [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Department of Electrical and Computer Engineering, University of New Mexico, Albuquerque, New Mexico 87106 (United States)

    2015-10-07

    We report the transport characteristics of both electrons and holes through narrow constricted crystalline Si “wall-like” long-channels that were surrounded by a thermally grown SiO{sub 2} layer. The strained buffering depth inside the Si region (due to Si/SiO{sub 2} interfacial lattice mismatch) is where scattering is seen to enhance some modes of the carrier-lattice interaction, while suppressing others, thereby changing the relative value of the effective masses of both electrons and holes, as compared to bulk Si. In the narrowest wall devices, a considerable increase in conductivity was observed as a result of higher carrier mobilities due to lateral constriction and strain. The strain effects, which include the reversal splitting of light- and heavy-hole bands as well as the decrease of conduction-band effective mass by reduced Si bandgap energy, are formulated in our microscopic model for explaining the experimentally observed enhancements in both conduction- and valence-band mobilities with reduced Si wall thickness. Also, the enhancements of the valence-band and conduction-band mobilities are found to be associated with different aspects of theoretical model.

  13. Photoluminescence and excited state structure in Bi3+-doped Y2SiO5 single crystalline films

    International Nuclear Information System (INIS)

    Babin, V.; Gorbenko, V.; Krasnikov, A.; Mihokova, E.; Nikl, M.; Zazubovich, S.; Zorenko, Yu.

    2013-01-01

    Single crystalline films of Bi-doped Y 2 SiO 5 are studied at 4.2–350 K by the time-resolved luminescence methods under excitation in the 3.8–6.2 eV energy range. Ultraviolet luminescence of Y 2 SiO 5 :Bi (≈3.6 eV) is shown to arise from the radiative decay of the metastable and radiative minima of the triplet relaxed excited state (RES) of Bi 3+ centers which are related to the 3 P 0 and 3 P 1 levels of a free Bi 3+ ion, respectively. The lowest-energy excitation band of this emission, located at ≈4.5 eV, is assigned to the 1 S 0 → 3 P 1 transitions of a free Bi 3+ ion. The phenomenological model is proposed to describe the excited-state dynamics of Bi 3+ centers in Y 2 SiO 5 :Bi, and parameters of the triplet RES are determined. -- Highlights: •Luminescence of Y 2 SiO 5 :Bi is investigated for the first time. •Ultraviolet emission arises from Bi 3+ ions located in Y lattice sites. •The triplet relaxed excited states parameters of Bi 3+ centers are determined

  14. Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

    International Nuclear Information System (INIS)

    Bag, Saientan; Maingi, Vishal; Maiti, Prabal K.; Yelk, Joe; Glaser, Matthew A.; Clark, Noel A.; Walba, David M.

    2015-01-01

    Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column

  15. Lie group structures on automorphism groups of real-analytic CR manifolds

    OpenAIRE

    ZAITSEV, DMITRI

    2008-01-01

    PUBLISHED Given any real-analytic CR manifold M, we provide general conditions on M guar- anteeing that the group of all its global real-analytic CR automorphisms AutCR(M) is a Lie group (in an appropriate topology). In particular, we obtain a Lie group structure for AutCR(M) when M is an arbitrary compact real-analytic hypersurface embedded in some Stein manifold. The first author was supported by the Austrian Science Fund FWF, Project P17111 and Project P19667. The second ...

  16. Crystalline and Crystalline International Disposal Activities

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-12-21

    This report presents the results of work conducted between September 2014 and July 2015 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program.

  17. Real-Time Impact Visualization Inspection of Aerospace Composite Structures with Distributed Sensors.

    Science.gov (United States)

    Si, Liang; Baier, Horst

    2015-07-08

    For the future design of smart aerospace structures, the development and application of a reliable, real-time and automatic monitoring and diagnostic technique is essential. Thus, with distributed sensor networks, a real-time automatic structural health monitoring (SHM) technique is designed and investigated to monitor and predict the locations and force magnitudes of unforeseen foreign impacts on composite structures and to estimate in real time mode the structural state when impacts occur. The proposed smart impact visualization inspection (IVI) technique mainly consists of five functional modules, which are the signal data preprocessing (SDP), the forward model generator (FMG), the impact positioning calculator (IPC), the inverse model operator (IMO) and structural state estimator (SSE). With regard to the verification of the practicality of the proposed IVI technique, various structure configurations are considered, which are a normal CFRP panel and another CFRP panel with "orange peel" surfaces and a cutout hole. Additionally, since robustness against several background disturbances is also an essential criterion for practical engineering demands, investigations and experimental tests are carried out under random vibration interfering noise (RVIN) conditions. The accuracy of the predictions for unknown impact events on composite structures using the IVI technique is validated under various structure configurations and under changing environmental conditions. The evaluated errors all fall well within a satisfactory limit range. Furthermore, it is concluded that the IVI technique is applicable for impact monitoring, diagnosis and assessment of aerospace composite structures in complex practical engineering environments.

  18. Electron beam-induced structural transformations of MoO{sub 3} and MoO{sub 3-x} crystalline nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Droguett, D. E., E-mail: dodiaz@fis.puc.cl [Pontificia Universidad Catolica de Chile, Departamento de Fisica, Facultad de Fisica (Chile); Zuniga, A. [Universidad de Chile, Departamento de Ingenieria Mecanica, Facultad de Ciencias Fisicas y Matematicas (Chile); Solorzano, G. [PUC-RIO, Departamento de Ciencia dos Materiais e Metalurgia, DCMM (Brazil); Fuenzalida, V. M. [Universidad de Chile, Departamento de Fisica, Facultad de Ciencias Fisicas y Matematicas (Chile)

    2012-01-15

    Electron beam-induced damage and structural changes in MoO{sub 3} and MoO{sub 3-x} single crystalline nanostructures were revealed by in situ transmission electron microscopy (TEM) examination (at 200 kV) after few minutes of concentrating the electron beam onto small areas (diameters between 25 and 200 nm) of the samples. The damage was evaluated recording TEM images, while the structural changes were revealed acquiring selected area electron diffraction patterns and high resolution transmission electron microscopy (HRTEM) images after different irradiation times. The as-received nanostructures of orthorhombic MoO{sub 3} were transformed to a Magneli's phase of the oxide ({gamma}-Mo{sub 4}O{sub 11}) after {approx}10 min of electron beam irradiation. The oxygen loss from the oxide promoted structural changes. HRTEM observations showed that, in the first stage of the reduction, oxygen vacancies generated by the electron beam are accommodated by forming crystallographic shear planes. At a later stage of the reduction process, a polycrystalline structure was developed with highly oxygen-deficient grains. The structural changes can be attributed to the local heating of the irradiated zone combined with radiolysis.

  19. Influence of Chemical Composition and Structure in Silicon Dielectric Materials on Passivation of Thin Crystalline Silicon on Glass.

    Science.gov (United States)

    Calnan, Sonya; Gabriel, Onno; Rothert, Inga; Werth, Matteo; Ring, Sven; Stannowski, Bernd; Schlatmann, Rutger

    2015-09-02

    In this study, various silicon dielectric films, namely, a-SiOx:H, a-SiNx:H, and a-SiOxNy:H, grown by plasma enhanced chemical vapor deposition (PECVD) were evaluated for use as interlayers (ILs) between crystalline silicon and glass. Chemical bonding analysis using Fourier transform infrared spectroscopy showed that high values of oxidant gases (CO2 and/or N2), added to SiH4 during PECVD, reduced the Si-H and N-H bond density in the silicon dielectrics. Various three layer stacks combining the silicon dielectric materials were designed to minimize optical losses between silicon and glass in rear side contacted heterojunction pn test cells. The PECVD grown silicon dielectrics retained their functionality despite being subjected to harsh subsequent processing such as crystallization of the silicon at 1414 °C or above. High values of short circuit current density (Jsc; without additional hydrogen passivation) required a high density of Si-H bonds and for the nitrogen containing films, additionally, a high N-H bond density. Concurrently high values of both Jsc and open circuit voltage Voc were only observed when [Si-H] was equal to or exceeded [N-H]. Generally, Voc correlated with a high density of [Si-H] bonds in the silicon dielectric; otherwise, additional hydrogen passivation using an active plasma process was required. The highest Voc ∼ 560 mV, for a silicon acceptor concentration of about 10(16) cm(-3), was observed for stacks where an a-SiOxNy:H film was adjacent to the silicon. Regardless of the cell absorber thickness, field effect passivation of the buried silicon surface by the silicon dielectric was mandatory for efficient collection of carriers generated from short wavelength light (in the vicinity of the glass-Si interface). However, additional hydrogen passivation was obligatory for an increased diffusion length of the photogenerated carriers and thus Jsc in solar cells with thicker absorbers.

  20. Effects of blending poly(D,L-lactide) with poly(ethylene glycol) on the higher-order crystalline structures of poly(ethylene glycol) as revealed by small-angle X-ray scattering

    International Nuclear Information System (INIS)

    Tien, N D; Kimura, G; Yamashiro, Y; Fujiwara, H; Sasaki, S; Sakurai, S; Hoa, T P; Mochizuki, M

    2011-01-01

    Effects of blending poly(lactic acid) (PLA) with poly(ethylene glycol) (PEG) on higher-order crystalline structures of PEG were examined using small-angle X-ray scattering (SAXS). For this purpose, the fact that two polymers are both crystalline makes situtation much complicated. To simplify, non-crystalline PLA is suitable. Thus, we used poly(D,L-lactic acid) (DLPLA), which is random copolymer comprising D- and L-lactic acid moieties. Multiple scattering peaks arising from the regular crystalline lamellar structure were observed for the PEG homopolymer and the blends. Surprisingly, the structure is much more regular for the blend DLPLA/PEG at composition of 20/80 wt.% than for the PEG homopolymer. Also for this blend sample as well as for a PEG homopolymer, very peculiar SAXS profiles were observed just 1 deg. C below T m of PEG. This is found to be a particle scattering of plate-like objects, which has never been reported for polymer blends or crystalline polymers. Futhermore, it was found that there was strong hysteresis of the higher-order structure formation.

  1. Theoretical approach to embed nanocrystallites into a bulk crystalline matrix and the embedding influence on the electronic band structure and optical properties of the resulting heterostructures.

    Science.gov (United States)

    Balagan, Semyon Anatolyevich; Nazarov, Vladimir U; Shevlyagin, Alexander Vladimirovich; Goroshko, Dmitrii L; Galkin, N G

    2018-05-03

    We develop an approach and present results of the combined molecular dynamics and density functional theory calculations of the structural and optical properties of the nanometer-sized crystallites embedded in a bulk crystalline matrix. The method is designed and implemented for both compatible and incompatible lattices of the nanocrystallite (NC) and the host matrix, when determining the NC optimal orientation relative to the matrix constitutes a challenging problem. We suggest and substantiate an expression for the cost function of the search algorithm, which is the energy per supercell generalized for varying number of atoms in the latter. The epitaxial relationships at the Si/NC interfaces and the optical properties are obtained and found to be in a reasonable agreement with experimental data. Dielectric functions show significant sensitivity to the NC's orientation relative to the matrix at energies below 0.5 eV. © 2018 IOP Publishing Ltd.

  2. Theoretical approach to embed nanocrystallites into a bulk crystalline matrix and the embedding influence on the electronic band structure and optical properties of the resulting heterostructures

    Science.gov (United States)

    Balagan, Semyon A.; Nazarov, Vladimir U.; Shevlyagin, Alexander V.; Goroshko, Dmitrii L.; Galkin, Nikolay G.

    2018-06-01

    We develop an approach and present results of the combined molecular dynamics and density functional theory calculations of the structural and optical properties of the nanometer-sized crystallites embedded in a bulk crystalline matrix. The method is designed and implemented for both compatible and incompatible lattices of the nanocrystallite (NC) and the host matrix, when determining the NC optimal orientation relative to the matrix constitutes a challenging problem. We suggest and substantiate an expression for the cost function of the search algorithm, which is the energy per supercell generalized for varying number of atoms in the latter. The epitaxial relationships at the Si/NC interfaces and the optical properties are obtained and found to be in a reasonable agreement with experimental data. Dielectric functions show significant sensitivity to the NC’s orientation relative to the matrix at energies below 0.5 eV.

  3. Application of the crystalline structure determination method by X-ray diffraction to natural products and organic compounds

    International Nuclear Information System (INIS)

    Vencato, I.

    1984-01-01

    The structures of two natural compounds, a synthetic phosphate and a copper complexe were determined and the structure of another copper complex was refined. The reflection intensities were measured with a CAD-4 automatic diffractometer. The structures were solved by direct methods using either MULTAN-80 or the Patterson function and were refined by the least squares method, with a full matrix. (E.G.) [pt

  4. Synthesis, characterization and structural control of nano crystalline molybdenum oxide MoO{sub 3} single phase by low cost technique

    Energy Technology Data Exchange (ETDEWEB)

    Afify, H.H.; Hassan, S.A. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Abouelsayed, A., E-mail: as.abouelsayed@gmail.com [Spectroscopy Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Demian, S.E. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Zayed, H.A. [Physics Department, Faculty of Girls for Art, Sciences and Education, Ain Shams University (Egypt)

    2016-06-15

    Thermodynamically stable α- MoO{sub 3} thin film is prepared without any other phases of the molybdenum oxides. Simple and low coast spray pyrolysis technique is used. Growth conditions are optimized to produce pure α- MoO{sub 3} with controlled crystallite size and surface morphology. Small angle (GAXRD) diffractometer is used to elucidate the structure. Profile shape function (PSF) model is made for the experimental data. WinFit software is going first to fit (PSF) to use the refined profile parameters for determination of crystallite size and internal residual strain. The (GAXRD) patterns prove the existence of α- MoO{sub 3} only with layered structure, indicated by the appearance of only (0k0). The calculated crystallite sizes and the strain are found to range from 10 to 28 nm and 0.28%–0.05% respectively. Ultraviolet and Visible transmission measurements were performed over a wavelength range 190–2500 nm on the MoO{sub 3} thin films synthesized by spray pyrolysis technique at different substrate temperature. The two sub-bands corresponds to the electronic transition between the molybdenum oxidation states Mo{sup 4+}, Mo{sup 5+} and Mo{sup 6+} are observed. Quantitative information on the temperature-induced blue shift of the sub-bands was obtained by fitting the spectra with Lorentz functions. The transition from Mo{sup 5+} to Mo{sup 6+} oxidation states show a blue shift up to Tc = 325 °C. Above Tc, the transition Mo{sup 5+} to Mo{sup 6+} increases more drastically, resulting in an anomaly in the temperature-induced shift at Tc. The anomaly can be attributed to the amorphous-to-crystalline phase transition at 325 °C. In addition, both refractive index and extinction coefficient are calculated as a function of substrate temperature. - Highlights: • Single phase α-MoO{sub 3} nano crystalline MoO{sub 3} thin films have been synthesized. • Amorphous-to-crystalline phase transition occurs at 325 °C for MoO{sub 3} thin films. • A clear

  5. A real nonlinear integrable couplings of continuous soliton hierarchy and its Hamiltonian structure

    International Nuclear Information System (INIS)

    Yu Fajun

    2011-01-01

    Some integrable coupling systems of existing papers are linear integrable couplings. In the Letter, beginning with Lax pairs from special non-semisimple matrix Lie algebras, we establish a scheme for constructing real nonlinear integrable couplings of continuous soliton hierarchy. A direct application to the AKNS spectral problem leads to a novel nonlinear integrable couplings, then we consider the Hamiltonian structures of nonlinear integrable couplings of AKNS hierarchy with the component-trace identity. - Highlights: → We establish a scheme to construct real nonlinear integrable couplings. → We obtain a novel nonlinear integrable couplings of AKNS hierarchy. → Hamiltonian structure of nonlinear integrable couplings AKNS hierarchy is presented.

  6. STRUCTURAL INTERACTIONS OF HYDROGEN WITH BULK AMORPHOUS MICROSTRUCTURES IN METALLIC SYSTEMS UNDERSTANDING THE ROLE OF PARTIAL CRYSTALLINITY ON PERMEATION AND EMBRITTLEMENT

    Energy Technology Data Exchange (ETDEWEB)

    Brinkman, Kyle; Fox, Elise; Korinko, Paul; Adams, Thad

    2010-05-10

    The development of metallic glasses in bulk form has led to a resurgence of interest into the utilization of these materials for a variety of applications. A potentially exciting application for these bulk metallic glass (BMG) materials is their use as composite membranes to replace high cost Pd/Pd-alloy membranes for enhanced gas separation processes. One of the major drawbacks to the industrial use of Pd/Pd-alloy membranes is that during cycling above and below a critical temperature an irreversible change takes place in the palladium lattice structure which can result in significant damage to the membrane. Furthermore, the cost associated with Pd-based membranes is a potential detractor for their continued use and BMG alloys offer a potentially attractive alternative. Several BMG alloys have been shown to possess high permeation rates, comparable to those measured for pure Pd metal. In addition, high strength and toughness when either in-situ or ex-situ second phase dispersoids are present. Both of these properties, high permeation and high strength/toughness, potentially make these materials attractive for gas separation membranes that could resist hydrogen 'embrittlement'. However, a fundamental understanding of the relationship between partially crystalline 'structure'/devitrification and permeation/embrittlement in these BMG materials is required in order to determine the operating window for separation membranes and provide additional input to the material synthesis community for improved alloy design. This project aims to fill the knowledge gap regarding the impact of crystallization on the permeation properties of metallic glass materials. The objectives of this study are to (i) determine the crystallization behavior in different gas environments of Fe and Zr based commercially available bulk metallic glass and (ii) quantify the effects of partial crystallinity on the hydrogen permeation properties of these metallic glass membranes.

  7. The make up of crystalline bedrock - crystalline body and blocks

    International Nuclear Information System (INIS)

    Huber, M.; Huber, A.

    1986-01-01

    Statements of a geological nature can be made on the basis of investigations of the bedrock exposed in southern Black Forest and these can, in the form of prognoses, be applied to the crystalline Basement of northern Switzerland. Such statements relate to the average proportions of the main lithological groups at the bedrock surface and the surface area of the granite body. Some of the prognoses can be compared and checked with the results from the deep drilling programme in northern Switzerland. Further, analogical interferences from the situation in the southern Black Forest allow predictions to be made on the anticipated block structure of the crystalline Basement. (author)

  8. Algorithms for singularities and real structures of weak Del Pezzo surfaces

    KAUST Repository

    Lubbes, Niels

    2014-08-01

    In this paper, we consider the classification of singularities [P. Du Val, On isolated singularities of surfaces which do not affect the conditions of adjunction. I, II, III, Proc. Camb. Philos. Soc. 30 (1934) 453-491] and real structures [C. T. C. Wall, Real forms of smooth del Pezzo surfaces, J. Reine Angew. Math. 1987(375/376) (1987) 47-66, ISSN 0075-4102] of weak Del Pezzo surfaces from an algorithmic point of view. It is well-known that the singularities of weak Del Pezzo surfaces correspond to root subsystems. We present an algorithm which computes the classification of these root subsystems. We represent equivalence classes of root subsystems by unique labels. These labels allow us to construct examples of weak Del Pezzo surfaces with the corresponding singularity configuration. Equivalence classes of real structures of weak Del Pezzo surfaces are also represented by root subsystems. We present an algorithm which computes the classification of real structures. This leads to an alternative proof of the known classification for Del Pezzo surfaces and extends this classification to singular weak Del Pezzo surfaces. As an application we classify families of real conics on cyclides. © World Scientific Publishing Company.

  9. Flexible structure control experiments using a real-time workstation for computer-aided control engineering

    Science.gov (United States)

    Stieber, Michael E.

    1989-01-01

    A Real-Time Workstation for Computer-Aided Control Engineering has been developed jointly by the Communications Research Centre (CRC) and Ruhr-Universitaet Bochum (RUB), West Germany. The system is presently used for the development and experimental verification of control techniques for large space systems with significant structural flexibility. The Real-Time Workstation essentially is an implementation of RUB's extensive Computer-Aided Control Engineering package KEDDC on an INTEL micro-computer running under the RMS real-time operating system. The portable system supports system identification, analysis, control design and simulation, as well as the immediate implementation and test of control systems. The Real-Time Workstation is currently being used by CRC to study control/structure interaction on a ground-based structure called DAISY, whose design was inspired by a reflector antenna. DAISY emulates the dynamics of a large flexible spacecraft with the following characteristics: rigid body modes, many clustered vibration modes with low frequencies and extremely low damping. The Real-Time Workstation was found to be a very powerful tool for experimental studies, supporting control design and simulation, and conducting and evaluating tests withn one integrated environment.

  10. Liquid crystalline order of carbon nanotubes

    Science.gov (United States)

    Georgiev, Georgi; Ahlawat, Aditya; Mulkern, Brian; Doyle, Robert; Mongeau, Jennifer; Ogilvie, Alex

    2007-03-01

    Topological defects formed during phase transitions in liquid crystals provide a direct proof of the standard Cosmological model and are direct links to the Early Universe. On the other hand in Nanotechnology, carbon nanotubes can be manipulated and oriented directly by changing the liquid crystalline state of the nanotubes, in combination with organic liquid crystals. Currently there are no nano-assemblers, which makes the liquid crystal state of the nanotubes, one of the few ways of controlling them. We show the design of a fast and efficient polarized light ellipsometric system (a new modification of previous optical systems) that can provide fast quantitative real time measurements in two dimensions of the formation of topological defects in liquid crystals during phase transitions in lab settings. Our aim is to provide fundamental information about the formation of optically anisotropic structures in liquid crystals and the orientation of carbon nanotubes in electric field.

  11. Phase equilibria and crystalline structure of compounds in the Lu-Al and Lu-Cu-Al systems

    International Nuclear Information System (INIS)

    Kuz'ma, Yu.B.; Stel'makhovich, B.M.; Galamushka, L.I.

    1992-01-01

    Phase equilibria and crystal structure of compounds in Lu-Al and Lu-Cu-Al systems were studied. Existence of Lu 2 Al compound having the structure of the PbCl 2 type is ascertained. Diagram of phase equilibria of Lu-Cu-Al system at 870 K is plotted. Compounds Lu 2 (Cu,Al) 17 (the Th 2 Zn 17 type structure), Lu(Cu,Al) 5 (CaCu 5 type structure), Lu 6 (Cu,Al) 23 (Th 6 Mn 23 type structure) and ∼ LuCuAl 2 have been prepared for the first time. Investigation of component interaction in Lu-Cu-Al system shows that the system is similar to previously studied systems Dy-Cu-Al and Er-Cu-Al. The main difference consists in the absence of LuCuAl 3 compound with rhombic structure of the CeNi 2+x Sb 2-x type in the system investigated

  12. Phase-shifting Real-time Holographic Microscopy applied in micro-structures surface analysis

    International Nuclear Information System (INIS)

    Brito, I V; Gesualdi, M R R; Muramatsu, M; Ricardo, J

    2011-01-01

    The microscopic real-time analysis of micro structured materials is of great importance in various domains of science and technology. For other hand, the holographic interferometry comprises a group of powerful optical methods for non-destructive testing in surface analysis. The holographic microscopy uses the holographic interferometric techniques to obtain quantitative intensity and phase information of the optical waves by microscopic systems. With the development of CCD cameras, computers (hardware and software), and new materials for holographic recording, these techniques can be used to replace the classical form of registration and became promising tools in surface analysis. In this work, we developed a prototype of Photorefractive and Digital Holographic Microscope for real-time analysis of micro-structured systems based on the phase-shifting real-time holographic interferometry techniques. Using this apparatus, we are made analysis of shapes and surfaces to obtain the phase maps and the 3D profiles of some samples.

  13. Real-time monitoring and structural control of a wind turbine using a rocking system

    DEFF Research Database (Denmark)

    Caterino, Nicola; Spizzuoco, Mariacristina; Georgakis, Christos T.

    2016-01-01

    The design of a semi-active (SA) control system to mitigate wind induced structural demand to high wind turbine towers is discussed herein. A variable restraint at the base, able to modify in real time its mechanical properties according to the instantaneous response of the tower, is proposed...

  14. Real-Time Probing of Structural Dynamics by Interaction between Chromophores

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Y.; Møller, Klaus Braagaard; Sølling, Theis Ivan

    2011-01-01

    We present an investigation of structural dynamics in excited-state cations probed in real-time by femtosecond timeresolved ion photofragmentation spectroscopy. From photoelectron spectroscopy data on 1,3-dibromopropane we conclude that the pump pulse ionizes the molecule, populating an excited...

  15. Estimation of failure probability on real structure utilized by earthquake observation data

    International Nuclear Information System (INIS)

    Matsubara, Masayoshi

    1995-01-01

    The objective of this report is to propose the procedure which estimates the structural response on a real structure by utilizing earthquake observation data using Neural network system. We apply the neural network system to estimate the ground motion of the site by enormous earthquake data published from Japan Meteorological Agency. The proposed procedure has some possibility to estimate the correlation between earthquake and response adequately. (author)

  16. Oligomeric structure and chaperone-like activity of Drosophila melanogaster mitochondrial small heat shock protein Hsp22 and arginine mutants in the alpha-crystallin domain.

    Science.gov (United States)

    Dabbaghizadeh, Afrooz; Finet, Stéphanie; Morrow, Genevieve; Moutaoufik, Mohamed Taha; Tanguay, Robert M

    2017-07-01

    The structure and chaperone function of DmHsp22WT, a small Hsp of Drosophila melanogaster localized within mitochondria were examined. Mutations of conserved arginine mutants within the alpha-crystallin domain (ACD) domain (R105G, R109G, and R110G) were introduced, and their effects on oligomerization and chaperone function were assessed. Arginine to glycine mutations do not induce significant changes in tryptophan fluorescence, and the mutated proteins form oligomers that are of equal or smaller size than the wild-type protein. They all form oligomer with one single peak as determined by size exclusion chromatography. While all mutants demonstrate the same efficiency as the DmHsp22WT in a DTT-induced insulin aggregation assay, all are more efficient chaperones to prevent aggregation of malate dehydrogenase. Arginine mutants of DmHsp22 are efficient chaperones to retard aggregation of CS and Luc. In summary, this study shows that mutations of arginine to glycine in DmHsp22 ACD induce a number of structural changes, some of which differ from those described in mammalian sHsps. Interestingly, only the R110G-DmHsp22 mutant, and not the expected R109G equivalent to human R140-HspB1, R116-HspB4, and R120-HspB5, showed different structural properties compared with the DmHsp22WT.

  17. Crystal structure of caesium hydrogen (L)-aspartate and an overview of crystalline compounds of aspartic acid with inorganic constituents

    Energy Technology Data Exchange (ETDEWEB)

    Fleck, M. [Universitaet Wien (Austria). Institut fuer Mineralogie und Kristallographie; Emmerich, R.; Bohaty, L. [Universitaet zu Koeln (Austria). Institut fuer Kristallographie

    2010-08-15

    The crystal structure of the new polar compound caesium hydrogen (L)-aspartate, Cs(C{sub 4}H{sub 6}NO{sub 4}), (abbreviated: Cs(L -AspH)) was determined from single crystal X-ray diffraction data; it comprises two crystallographically different L -AspH anions that are connected via caesium cations to form a three dimensional framework. The Cs ions are irregularly sevenfold[Cs1O{sub 7}] respectively eightfold[Cs2O{sub 8}] coordinated to all {alpha}- and {beta}- carboxylate oxygen atoms. Cs(L -AspH) represents a novel structure type of its own, as do most compounds of (L)-aspartic acid with inorganic constituents. A brief summary of such structurally known aspartates is given. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Large-area 2D periodic crystalline silicon nanodome arrays on nanoimprinted glass exhibiting photonic band structure effects

    International Nuclear Information System (INIS)

    Becker, C; Lockau, D; Sontheimer, T; Rech, B; Schubert-Bischoff, P; Rudigier-Voigt, E; Bockmeyer, M; Schmidt, F

    2012-01-01

    Two-dimensional silicon nanodome arrays are prepared on large areas up to 50 cm 2 exhibiting photonic band structure effects in the near-infrared and visible wavelength region by downscaling a recently developed fabrication method based on nanoimprint-patterned glass, high-rate electron-beam evaporation of silicon, self-organized solid phase crystallization and wet-chemical etching. The silicon nanodomes, arranged in square lattice geometry with 300 nm lattice constant, are optically characterized by angular resolved reflection measurements, allowing the partial determination of the photonic band structure. This experimentally determined band structure agrees well with the outcome of three-dimensional optical finite-element simulations. A 16% photonic bandgap is predicted for an optimized geometry of the silicon nanodome arrays. By variation of the duration of the selective etching step, the geometry as well as the optical properties of the periodic silicon nanodome arrays can be controlled systematically. (paper)

  19. The gradient crystalline structure and microhardness in the treated layer of TC17 via high energy shot peening

    International Nuclear Information System (INIS)

    Li, Huimin; Liu, Yingang; Li, Miaoquan; Liu, Hongjie

    2015-01-01

    Graphical abstract: - Highlights: • The gradient nanocrystalline structure was induced in treated layer of TC17. • The thickness of nanograin layer with an average grain size of 10.5 nm was 20 μm. • The composition of the treated layer of TC17 was discussed. • The gradient variation of the microhardness was obtained in treated layer of TC17. - Abstract: The gradient nanocrystalline structure from the topmost surface to the matrix of a bulk coarse-grained TC17 was attained by using high energy shot peening treatment at an air pressure of 0.35 MPa and a processing duration of 30 min. The thickness from the topmost surface with a grain size of about 10.5 nm to the matrix with a micrometer structure was about 120 μm, and the thickness in the nanocrystalline layer was about 20 μm. The microscopic and nanocrystalline structure characteristic in the treated layer were investigated via X-ray diffraction, scanning electron microscopy and high-resolution transmission electron microscopy. The nanograins layer, the nanometer-thick laminated structure layer, the refined grains layer and the low-strain matrix layer occurred in sequence from the topmost surface to the matrix, and therefore the gradient nanocrystalline structure in the treated layer was produced by using high energy shot peening. TEM investigation confirmed that the dislocation activity with very high stacking fault energy induced by surface severe plastic deformation mainly controlled the grain refinement. The microhardness (HV 0.02 ) from the topmost surface to the matrix gradually increased by 43% from 440 to 629 and the gradient variation of the microhardness with the depths from the topmost surface to the matrix of treated TC17 was obtained.

  20. Surface modelling on heavy atom crystalline compounds: HfO{sub 2} and UO{sub 2} fluorite structures

    Energy Technology Data Exchange (ETDEWEB)

    Evarestov, Robert [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu; Bandura, Andrei; Blokhin, Eugeny [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)

    2009-01-15

    The study of the bulk and surface properties of cubic (fluorite structure) HfO{sub 2} and UO{sub 2} was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO{sub 2} differ from those found for other metal oxides with the closed-shell configuration of d-electrons.

  1. Real-time vibration-based structural damage detection using one-dimensional convolutional neural networks

    Science.gov (United States)

    Abdeljaber, Osama; Avci, Onur; Kiranyaz, Serkan; Gabbouj, Moncef; Inman, Daniel J.

    2017-02-01

    Structural health monitoring (SHM) and vibration-based structural damage detection have been a continuous interest for civil, mechanical and aerospace engineers over the decades. Early and meticulous damage detection has always been one of the principal objectives of SHM applications. The performance of a classical damage detection system predominantly depends on the choice of the features and the classifier. While the fixed and hand-crafted features may either be a sub-optimal choice for a particular structure or fail to achieve the same level of performance on another structure, they usually require a large computation power which may hinder their usage for real-time structural damage detection. This paper presents a novel, fast and accurate structural damage detection system using 1D Convolutional Neural Networks (CNNs) that has an inherent adaptive design to fuse both feature extraction and classification blocks into a single and compact learning body. The proposed method performs vibration-based damage detection and localization of the damage in real-time. The advantage of this approach is its ability to extract optimal damage-sensitive features automatically from the raw acceleration signals. Large-scale experiments conducted on a grandstand simulator revealed an outstanding performance and verified the computational efficiency of the proposed real-time damage detection method.

  2. Changes in the internal structure of the human crystalline lens with diabetes mellitus type 1 and type 2

    NARCIS (Netherlands)

    Wiemer, N.G.M.; Dubbelman, M.; Hermans, E.A.; Ringens, P.J.; Polak, B.C.P.

    2008-01-01

    Purpose: To investigate the effect of diabetes mellitus (DM) type 1 and type 2 on the internal structure of the lens. Design: Observational cross-sectional study. Participants and Controls: One hundred seven patients with DM type 1, 106 patients with DM type 2, and 75 healthy control subjects.

  3. The influence of metal interlayers on the structural and optical properties of nano-crystalline TiO 2 films

    KAUST Repository

    Yang, Yong; Zhang, Qiang; Zhang, Bei; Mi, Wenbo; Chen, Long; Li, Lin; Zhao, Chao; Diallo, Elhadj; Zhang, Xixiang

    2012-01-01

    TiO 2-M-TiO 2 (M = W, Co and Ag) multilayer films have been deposited on glass substrates using reactive magnetron sputtering, then annealed in air for 2 h at 500°C. The structure, surface morphology and optical properties of the films have been

  4. Supramolecular Structure, Physical Properties, and Langmuir-Blodgett Film Formation of an Optically Active Liquid-Crystalline Phthalocyanine

    NARCIS (Netherlands)

    Nostrum, Cornelus F. van; Bosman, Anton W.; Gelinck, Gerwin H.; Schouten, Pieter G.; Warman, John M.; Devillers, Marinus A.C.; Meijerink, Andries; Picken, Stephen J.; Sohling, Ulrich; Schouten, Arend-Jan; Nolte, Roeland J.M.

    The structure and physical properties of optically active, metal-free 2,3,9,10,16,17,23,24-octa(S-3,7-dimethyloctoxy)phthalocyanine ((S)-Pc(8,2)) are reported and compared with those of the phthalocyanine with (R,S) side chains (mixture of 43 stereoisomers). Unlike the latter compound, (S)-Pc(8,2)

  5. Critical Intermediate Structure That Directs the Crystalline Texture and Surface Morphology of Organo-Lead Trihalide Perovskite.

    Science.gov (United States)

    Chia, Hao-Chung; Sheu, Hwo-Shuenn; Hsiao, Yu-Yun; Li, Shao-Sian; Lan, Yi-Kang; Lin, Chung-Yao; Chang, Je-Wei; Kuo, Yen-Chien; Chen, Chia-Hao; Weng, Shih-Chang; Su, Chun-Jen; Su, An-Chung; Chen, Chun-Wei; Jeng, U-Ser

    2017-10-25

    We have identified an often observed yet unresolved intermediate structure in a popular processing with dimethylformamide solutions of lead chloride and methylammonium iodide for perovskite solar cells. With subsecond time-resolved grazing-incidence X-ray scattering and X-ray photoemission spectroscopy, supplemental with ab initio calculation, the resolved intermediate structure (CH 3 NH 3 ) 2 PbI 2 Cl 2 ·CH 3 NH 3 I features two-dimensional (2D) perovskite bilayers of zigzagged lead-halide octahedra and sandwiched CH 3 NH 3 I layers. Such intermediate structure reveals a hidden correlation between the intermediate phase and the composition of the processing solution. Most importantly, the 2D perovskite lattice of the intermediate phase is largely crystallographically aligned with the [110] planes of the three-dimensional perovskite cubic phase; consequently, with sublimation of Cl ions from the organo-lead octahedral terminal corners in prolonged annealing, the zigzagged octahedral layers of the intermediate phase can merge with the intercalated methylammonium iodide layers for templated growth of perovskite crystals. Regulated by annealing temperature and the activation energies of the intermediate and perovskite, deduced from analysis of temperature-dependent structural kinetics, the intermediate phase is found to selectively mature first and then melt along the layering direction for epitaxial conversion into perovskite crystals. The unveiled epitaxial conversion under growth kinetics controls might be general for solution-processed and intermediate-templated perovskite formation.

  6. Tuning the electronic and the crystalline structure of LaBi by pressure: From extreme magnetoresistance to superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Tafti, F. F.; Torikachvili, M. S.; Stillwell, R. L.; Baer, B.; Stavrou, E.; Weir, S. T.; Vohra, Y. K.; Yang, H. -Y.; McDonnell, E. F.; Kushwaha, S. K.; Gibson, Q. D.; Cava, R. J.; Jeffries, J. R.

    2017-01-01

    Extreme magnetoresistance (XMR) in topological semimetals is a recent discovery which attracts attention due to its robust appearance in a growing number of materials. To search for a relation between XMR and superconductivity, we study the effect of pressure on LaBi. By increasing pressure, we observe the disappearance of XMR followed by the appearance of superconductivity at P ≈ 3.5 GPa. We find a region of coexistence between superconductivity and XMR in LaBi in contrast to other superconducting XMR materials. The suppression of XMR is correlated with increasing zero-field resistance instead of decreasing in-field resistance. At higher pressures, P ≈ 11 GPa, we find a structural transition from the face-centered cubic lattice to a primitive tetragonal lattice, in agreement with theoretical predictions. The relationship between extreme magnetoresistance, superconductivity, and structural transition in LaBi is discussed.

  7. Grazing incidence X-ray fluorescence analysis of buried interfaces in periodically structured crystalline silicon thin-film solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Eisenhauer, David; Preidel, Veit; Becker, Christiane [Young Investigator Group Nanostructured Silicon for Photovoltaic and Photonic Implementations (Nano-SIPPE), Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany); Pollakowski, Beatrix; Beckhoff, Burkhard [Physikalisch-Technische Bundesanstalt, Berlin (Germany); Baumann, Jonas; Kanngiesser, Birgit [Institut fuer Optik und Atomare Physik, Technische Universitaet Berlin (Germany); Amkreutz, Daniel; Rech, Bernd [Institut Silizium Photovoltaik, Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany); Back, Franziska; Rudigier-Voigt, Eveline [SCHOTT AG, Mainz (Germany)

    2015-03-01

    We present grazing incidence X-ray fluorescence (GIXRF) experiments on 3D periodically textured interfaces of liquid phase crystallized silicon thin-film solar cells on glass. The influence of functional layers (SiO{sub x} or SiO{sub x}/SiC{sub x}) - placed between glass substrate and silicon during crystallization - on the final carbon and oxygen contaminations inside the silicon was analyzed. Baring of the buried structured silicon surface prior to GIXRF measurement was achieved by removal of the original nano-imprinted glass substrate by wet-chemical etching. A broad angle of incidence distribution was determined for the X-ray radiation impinging on this textured surface. Optical simulations were performed in order to estimate the incident radiation intensity on the structured surface profile considering total reflection and attenuation effects. The results indicate a much lower contamination level for SiO{sub x} compared to the SiO{sub x}/SiC{sub x} interlayers, and about 25% increased contamination when comparing structured with planar silicon layers, both correlating with the corresponding solar cell performances. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Long-term real-time structural health monitoring using wireless smart sensor

    Science.gov (United States)

    Jang, Shinae; Mensah-Bonsu, Priscilla O.; Li, Jingcheng; Dahal, Sushil

    2013-04-01

    Improving the safety and security of civil infrastructure has become a critical issue for decades since it plays a central role in the economics and politics of a modern society. Structural health monitoring of civil infrastructure using wireless smart sensor network has emerged as a promising solution recently to increase structural reliability, enhance inspection quality, and reduce maintenance costs. Though hardware and software framework are well prepared for wireless smart sensors, the long-term real-time health monitoring strategy are still not available due to the lack of systematic interface. In this paper, the Imote2 smart sensor platform is employed, and a graphical user interface for the long-term real-time structural health monitoring has been developed based on Matlab for the Imote2 platform. This computer-aided engineering platform enables the control, visualization of measured data as well as safety alarm feature based on modal property fluctuation. A new decision making strategy to check the safety is also developed and integrated in this software. Laboratory validation of the computer aided engineering platform for the Imote2 on a truss bridge and a building structure has shown the potential of the interface for long-term real-time structural health monitoring.

  9. Real-time imaging, spectroscopy, and structural investigation of cathodic plasma electrolytic oxidation of molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Stojadinović, Stevan, E-mail: sstevan@ff.bg.ac.rs; Tadić, Nenad; Šišović, Nikola M.; Vasilić, Rastko [Faculty of Physics, University of Belgrade, Studentski trg 12-16, 11000 Belgrade (Serbia)

    2015-06-21

    In this paper, the results of the investigation of cathodic plasma electrolytic oxidation (CPEO) of molybdenum at 160 V in a mixed solution of borax, water, and ethylene glycol are presented. Real-time imaging and optical emission spectroscopy were used for the characterization of the CPEO. During the process, vapor envelope is formed around the cathode and strong electric field within the envelope caused the generation of plasma discharges. The spectral line shape analysis of hydrogen Balmer line H{sub β} (486.13 nm) shows that plasma discharges are characterized by the electron number density of about 1.4 × 10{sup 21 }m{sup −3}. The electron temperature of 15 000 K was estimated by measuring molybdenum atomic lines intensity. Surface morphology, chemical, and phase composition of coatings formed by CPEO were characterized by scanning electron microscopy with energy dispersive x-ray spectroscopy and x-ray diffraction. The elemental components of CPEO coatings are Mo and O and the predominant crystalline form is MoO{sub 3}.

  10. Change in crystalline structure and band alignment in atomic-layer-deposited HfO{sub 2} on InPusing an annealing treatment

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Yu-Seon; Kim, Dae-Kyoung; Cho, Mann-Ho [Institute of Physics and Applied Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Seo, Jung-Hye [Division of Materials Science, Korea Basic Science Institute, Daejeon 305-333 (Korea, Republic of); Shon, Hyun Kyong; Lee, Tae Geol [Korea Research Institute of Standards and Science, Daejeon 305-540 (Korea, Republic of); Cho, Young Dae; Kim, Sun-Wook; Ko, Dae-Hong [Department of Material Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Hyoungsub [School of Advanced Materials Science and Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2013-08-15

    Changes in structural characteristics and band alignments of atomic-layer-deposited HfO{sub 2} films on InP (001) as a function of annealing temperature and film thickness were investigated using various analytical techniques. After an annealing at temperatures over 500 C, the HfO{sub 2} films were converted into a fully crystalline structure with a tetragonal phase with no detectable interfacial layer between the film and the InP substrate. In-P-O states, produced by interfacial reactions, were increased during the post deposition annealing (PDA) process and oxides were detected in the surface region of the HfO{sub 2} film, indicating that In and P atoms had out-diffused. The E{sub g} value of the as-grown HfO{sub 2} film was found to be 5.80 {+-} 0.1 eV. After the PDA treatment, the optical band gap and valence band offset values were significantly affected by the interfacial oxide states between the HfO{sub 2} film and InP substrate. Moreover, band bending in InP, due to negative space charges generated by an unstable P-rich interfacial state during atomic layer deposition process was decreased after the annealing treatment. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Structural and magnetic properties of Ni0.8M0.2Fe2O4 (M = Cu, Co) nano-crystalline ferrites

    Science.gov (United States)

    Vijaya Babu, K.; Satyanarayana, G.; Sailaja, B.; Santosh Kumar, G. V.; Jalaiah, K.; Ravi, M.

    2018-06-01

    Nano-crystalline nickel ferrites are interesting materials due to their large physical and magnetic properties. In the present work, two kinds of spinel ferrites Ni0.8M0.2Fe2O4 (M = Cu, Co) are synthesized by using sol-gel auto-combustion method and the results are compared with NiFe2O4. The structural properties of synthesized ferrites are determined by using X-ray powder diffraction; scanning electron microscope and Fourier transform infrared spectroscopy. The cation distribution obtained from X-ray diffraction show that cobalt/copper occupies only tetrahedral site in spinel lattice. The lattice constant increases with the substitution of cobalt/copper. The structural parameters like bond lengths, tetrahedral and octahedral edges have been varied with the substitution. The microstructural study is carried out by using SEM technique and the average grain size is increased with nickel ferrite. The initial permeability (μi) is improving with the substitution. The observed g-value from ESR is approximately equal to standard value.

  12. Poly(butylene terephthalate)/montmorillonite nanocomposites: Effect of montmorillonite on the morphology, crystalline structure, isothermal crystallization kinetics and mechanical properties

    International Nuclear Information System (INIS)

    Kalkar, Arun K.; Deshpande, Vineeta D.; Vatsaraj, Bhakti S.

    2013-01-01

    Graphical abstract: - Highlights: • Effect of amount of clay content, its dispersion on crystalline structure of PBT. • Regime break temperature shifts to lower temperature for PCN4 up to 197 °C. • Tensile modulus enhanced up to 95% for PCN3 compared to PBT. - Abstract: Nanocomposites (PCNs), based on poly(butylene terephthalte) (PBT) and organoclay (Cloisite-15A) MMT were prepared by melt intercalation compounding process. The nanoscale dispersion and the microcrystal structure studied qualitatively using; X-ray diffraction (XRD) and electron microscopy (SEM, TEM and AFM). The XRD results indicated that the crystal size is highly dependent on the crystallization temperature. The isothermal crystallization kinetics of PBT in PCNs analysis indicated that the overall crystallization of PBT involved heterogeneous nucleated three-dimensional spherical primary crystallization growth process. The crystallization rate, however, is dependent on the PCN-composition, crystallization temperature and the dispersion state of clay in PCNs. Further analysis, based on Hoffman-Lauritzen theory revealed that the neat PBT and PBT in PCNs crystallization follow regime-II kinetics for temperature 195 °C–205 °C and enters the regime-III kinetics in lower T c range, 185 °C–195 °C. The improvement in mechanical properties is highly dependent on the level of clay exfoliation in PBT matrix

  13. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  14. Crystalline and Crystalline International Disposal Activities

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-06

    This report presents the results of work conducted between September 2015 and July 2016 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program. Los Alamos focused on two main activities during this period: Discrete fracture network (DFN) modeling to describe flow and radionuclide transport in complex fracture networks that are typical of crystalline rock environments, and a comprehensive interpretation of three different colloid-facilitated radionuclide transport experiments conducted in a fractured granodiorite at the Grimsel Test Site in Switzerland between 2002 and 2013. Chapter 1 presents the results of the DFN work and is divided into three main sections: (1) we show results of our recent study on the correlation between fracture size and fracture transmissivity (2) we present an analysis and visualization prototype using the concept of a flow topology graph for characterization of discrete fracture networks, and (3) we describe the Crystalline International work in support of the Swedish Task Force. Chapter 2 presents interpretation of the colloidfacilitated radionuclide transport experiments in the crystalline rock at the Grimsel Test Site.

  15. Structural transformations of mechanically induced top-down approach BaFe{sub 12}O{sub 19} nanoparticles synthesized from high crystallinity bulk materials

    Energy Technology Data Exchange (ETDEWEB)

    Low, Zhi Huang [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Chen, Soo Kien [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Department of Physics, Faculty of Science, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Ismail, Ismayadi, E-mail: kayzen@gmail.com [Institute of Advanced Technology, Universiti Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Tan, Kim Song [Advanced Imaging Centre, Malaysian Rubber Board, RRIM Sungai Buloh, 47000 Selangor (Malaysia); Liew, J.Y.C. [Department of Physics, Faculty of Science, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia)

    2017-05-01

    In this work, a top-down approach was applied to high crystallinity BaFe{sub 12}O{sub 19} bulks, breaking them into smaller nanoparticles by mechanochemical route. The effects of milling time, reaction mechanisms and structural information were investigated. Interestingly, three distinct stages of the mechanochemical mechanism were observed. The XRD results indicated that the BaFe{sub 12}O{sub 19} phase existed even though the mechanical energy had induced the formation of an amorphous phase in the material. The average crystallite size decreased during the first stage and the intermediate stage, and increased during the final stage of the mechanical alloying. A Rietveld refinement analysis suggested the deformation of a mechanically-triggered polyhedral in the magnetoplumbite structure. FESEM micrographs indicated that fragmentation predominated during the first and intermediate stages, until a steady equilibrium state was achieved at in the final stage, where a narrow particle size distribution was observed. HRTEM micrographs suggested the formation of a non-uniform nanostructure shell surrounding the ordered core materials at the edge-interface region. The thickness of the amorphous surface layer extended up to 12 nm during the first and intermediate stages, and diminished to approximately 3 nm after 20 h milling. VSM results showed a mixture of ferromagnetic, superparamagnetic, and paramagnetic behaviours. However, different magnetic behaviours predominated at different milling time, which strongly related to the defects, distorted polyhedra, and non-equilibrium amorphous layers of the material. - Highlights: • Nanoparticles of BaFe{sub 12}O{sub 19} are successfully prepared. • Morphological and structural properties rely on mechanochemical mechanism. • Three stages of mechanochemical mechanism was observed. • Core shell structures (3–12 nm) was found during by extending the milling time. • Magnetic properties were strongly related with the

  16. Structural transformations of mechanically induced top-down approach BaFe12O19 nanoparticles synthesized from high crystallinity bulk materials

    International Nuclear Information System (INIS)

    Low, Zhi Huang; Chen, Soo Kien; Ismail, Ismayadi; Tan, Kim Song; Liew, J.Y.C.

    2017-01-01

    In this work, a top-down approach was applied to high crystallinity BaFe 12 O 19 bulks, breaking them into smaller nanoparticles by mechanochemical route. The effects of milling time, reaction mechanisms and structural information were investigated. Interestingly, three distinct stages of the mechanochemical mechanism were observed. The XRD results indicated that the BaFe 12 O 19 phase existed even though the mechanical energy had induced the formation of an amorphous phase in the material. The average crystallite size decreased during the first stage and the intermediate stage, and increased during the final stage of the mechanical alloying. A Rietveld refinement analysis suggested the deformation of a mechanically-triggered polyhedral in the magnetoplumbite structure. FESEM micrographs indicated that fragmentation predominated during the first and intermediate stages, until a steady equilibrium state was achieved at in the final stage, where a narrow particle size distribution was observed. HRTEM micrographs suggested the formation of a non-uniform nanostructure shell surrounding the ordered core materials at the edge-interface region. The thickness of the amorphous surface layer extended up to 12 nm during the first and intermediate stages, and diminished to approximately 3 nm after 20 h milling. VSM results showed a mixture of ferromagnetic, superparamagnetic, and paramagnetic behaviours. However, different magnetic behaviours predominated at different milling time, which strongly related to the defects, distorted polyhedra, and non-equilibrium amorphous layers of the material. - Highlights: • Nanoparticles of BaFe 12 O 19 are successfully prepared. • Morphological and structural properties rely on mechanochemical mechanism. • Three stages of mechanochemical mechanism was observed. • Core shell structures (3–12 nm) was found during by extending the milling time. • Magnetic properties were strongly related with the mechanically induced defects.

  17. Study of the structure and chemical bonding of crystalline Ge_4Sb_2Te_7 using first principle calculations

    International Nuclear Information System (INIS)

    Singh, Janpreet; Singh, Satvinder; Tripathi, S. K.; Singh, Gurinder; Kaura, Aman

    2016-01-01

    The atomic arrangements and chemical bonding of stable Ge_4Sb_2Te_7 (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

  18. Electronic and structural properties of micro-and nanometre-sized crystalline copper monoxide ceramics investigated by positron annihilation

    International Nuclear Information System (INIS)

    Druzhkov, A.P.; Gizhevskii, B.A.; Arbuzov, V.L.; Shalnov, K.V.; Naumov, S.V.; Perminov, D.A.; Kozlov, E.A.

    2002-01-01

    Electronic and structural properties of copper monoxide (CuO) sintered as a common ceramic and nanoceramic are studied by positron annihilation spectroscopy. A CuO nanoceramic with crystallite size ranging from 15 to 90 nm was prepared from a common one by shock-wave loading. It is found that the momentum distribution of valence electrons in CuO is shifted, as compared with metallic copper, towards higher momentum values. This result is related to the effect of the Cu 3d-O 2p hybridization in the Cu-O ionic covalent bond formation. It is found that open volumes, identified mainly as small agglomerates of oxygen vacancies, appear at the nanoceramic crystallite interfaces. The degree of the Cu-O bond covalency decreases locally at the crystallite interfaces because of an oxygen deficit. The nanocrystalline state in CuO is shown to be thermally stable up to 700 K. (author)

  19. Electronic and structural properties of micro-and nanometre-sized crystalline copper monoxide ceramics investigated by positron annihilation

    Energy Technology Data Exchange (ETDEWEB)

    Druzhkov, A.P. [Institute of Metal Physics, Ural Branch Russian Academy of Sciences, Ekaterinburg (Russian Federation)]. E-mail: druzhkov@imp.uran.ru; Gizhevskii, B.A.; Arbuzov, V.L.; Shalnov, K.V.; Naumov, S.V.; Perminov, D.A. [Institute of Metal Physics, Ural Branch Russian Academy of Sciences, Ekaterinburg (Russian Federation); Kozlov, E.A. [All-Russian R and D Institute of Technical Physics, Snezhinsk (Russian Federation)

    2002-09-02

    Electronic and structural properties of copper monoxide (CuO) sintered as a common ceramic and nanoceramic are studied by positron annihilation spectroscopy. A CuO nanoceramic with crystallite size ranging from 15 to 90 nm was prepared from a common one by shock-wave loading. It is found that the momentum distribution of valence electrons in CuO is shifted, as compared with metallic copper, towards higher momentum values. This result is related to the effect of the Cu 3d-O 2p hybridization in the Cu-O ionic covalent bond formation. It is found that open volumes, identified mainly as small agglomerates of oxygen vacancies, appear at the nanoceramic crystallite interfaces. The degree of the Cu-O bond covalency decreases locally at the crystallite interfaces because of an oxygen deficit. The nanocrystalline state in CuO is shown to be thermally stable up to 700 K. (author)

  20. A brief comparison between grid based real space algorithms and spectrum algorithms for electronic structure calculations

    International Nuclear Information System (INIS)

    Wang, Lin-Wang

    2006-01-01

    Quantum mechanical ab initio calculation constitutes the biggest portion of the computer time in material science and chemical science simulations. As a computer center like NERSC, to better serve these communities, it will be very useful to have a prediction for the future trends of ab initio calculations in these areas. Such prediction can help us to decide what future computer architecture can be most useful for these communities, and what should be emphasized on in future supercomputer procurement. As the size of the computer and the size of the simulated physical systems increase, there is a renewed interest in using the real space grid method in electronic structure calculations. This is fueled by two factors. First, it is generally assumed that the real space grid method is more suitable for parallel computation for its limited communication requirement, compared with spectrum method where a global FFT is required. Second, as the size N of the calculated system increases together with the computer power, O(N) scaling approaches become more favorable than the traditional direct O(N 3 ) scaling methods. These O(N) methods are usually based on localized orbital in real space, which can be described more naturally by the real space basis. In this report, the author compares the real space methods versus the traditional plane wave (PW) spectrum methods, for their technical pros and cons, and the possible of future trends. For the real space method, the author focuses on the regular grid finite different (FD) method and the finite element (FE) method. These are the methods used mostly in material science simulation. As for chemical science, the predominant methods are still Gaussian basis method, and sometime the atomic orbital basis method. These two basis sets are localized in real space, and there is no indication that their roles in quantum chemical simulation will change anytime soon. The author focuses on the density functional theory (DFT), which is the

  1. Determination of crystallinity of ceramic materials from the Ruland Method

    International Nuclear Information System (INIS)

    Kniess, C.T.; Prates, P.B.; Gomes Junior, J.C.; Lima, J.C. de; Riella, H.G.; Kuhnen, N.C.

    2011-01-01

    Some methods found in literature approach the different characteristics between crystalline and amorphous phases by X ray diffraction technique. These methods use the relation between the intensities of the crystalline peaks and background amorphous or the absolute intensity of one of these to determine the relative amount of crystalline and amorphous material. However, a crystalline substance presents shows coherent diffuse scattering and a loss in the intensity of the peaks of diffraction in function of thermal vibrations of atoms and imperfections in the crystalline structure. A correct method for the determination of the crystallinity must take in account these effects. This work has as objective to determine the crystallinity of ceramic materials obtained with the addition of mineral coal bottom ashes, using the X ray diffraction technique and the Ruland Method, that considers the diminution of the intensity of the crystalline peak because of the disorder affects. The Ruland Method shows adequate for the determination of the crystallinity of the ceramic materials. (author)

  2. Crystalline Silica Primer

    Science.gov (United States)

    ,

    1992-01-01

    Crystalline silica is the scientific name for a group of minerals composed of silicon and oxygen. The term crystalline refers to the fact that the oxygen and silicon atoms are arranged in a threedimensional repeating pattern. This group of minerals has shaped human history since the beginning of civilization. From the sand used for making glass to the piezoelectric quartz crystals used in advanced communication systems, crystalline silica has been a part of our technological development. Crystalline silica's pervasiveness in our technology is matched only by its abundance in nature. It's found in samples from every geologic era and from every location around the globe. Scientists have known for decades that prolonged and excessive exposure to crystalline silica dust in mining environments can cause silicosis, a noncancerous lung disease. During the 1980's, studies were conducted that suggested that crystalline silica also was a carcinogen. As a result of these findings, crystalline silica has been regulated under the Occupational Safety and Health Administration's (OSHA) Hazard Communication Standard (HCS). Under HCS, OSHAregulated businesses that use materials containing 0.1% or more crystalline silica must follow Federal guidelines concerning hazard communication and worker training. Although the HCS does not require that samples be analyzed for crystalline silica, mineral suppliers or OSHAregulated

  3. What Is Crystalline Silica?

    Science.gov (United States)

    ... and ceramic manufacturing and the tool and die, steel and foundry industries. Crystalline silica is used in manufacturing, household abrasives, adhesives, paints, soaps, and glass. Additionally, ...

  4. Structural and optical properties of crystalline and nanocrystalline NaIn(WO4)2:Cr3+

    International Nuclear Information System (INIS)

    Fuks, H.; Skibiński, T.; Kaczmarek, S.M.; Hanuza, J.; Leniec, G.; Hermanowicz, K.; Mączka, M.; Ptak, M.

    2014-01-01

    Highlights: • Optical properties are summarized for single crystals and nanopowders of NaIn(WO 4 ) 2 :Cr. • EPR properties are compared in terms of different site occupation of Cr ion in the NaIn(WO 4 ) 2 matrix. • The changes in the PL and ESR properties of the nanopowders vs. their decreasing size are studied. • An increase of isolated ions with temperature at the expense of chromium complexes is observed. • Magnetic susceptibility and moment of the powders are discussed in terms of Cr substitution. -- Abstract: EPR and optical spectra of chromium doped NaIn(WO 4 ) 2 single crystals and nanopowders have been measured. The resonance EPR measurements have been performed for two crystal orientations in respect to the magnetic field and analyzed in terms of various Cr 3+ ion site occupancies in the crystal lattice. They have been structurally and optically identified. The changes in the photoluminescence and electron spin resonance properties of the nanoparticles vs. their decreasing size have also been studied. Magnetic susceptibility and effective magnetic moment of the nanopowders were measured and discussed in terms of chromium substitution. Comparisons between chromium substitution in single crystals and nanopowders have been performed

  5. Influence of growth time on crystalline structure, morphologic and optical properties of In2O3 thin films

    International Nuclear Information System (INIS)

    Attaf, A.; Bouhdjar, A.; Saidi, H.; Benkhetta, Y.; Bendjedidi, H.; Nouadji, M.; Lehraki, N.

    2015-01-01

    Indium oxide (In 2 O 3 ) thin films are successfully deposited on glass substrate at different deposition timings by ultrasonic spray technique using Indium chloride (InCl 3 ) material source witch is prepared with dissolvent Ethanol (C 2 H 5 -OH), the physical properties of these films are characterized by XRD, MEB,UV-visible. XRD analysis revealed that the films are polycrystalline in nature having centered cubic crystal structure and symmetry space group I2 1 3 with a preferred grain orientation along to (222) plane when the deposition time changes from 4 to 10 min but after t = 10 min, especially when t = 13 min we found that the majority of grains preferred the plane (400). The maximum value of grain size D = 61,51 nm is attained for In 2 O 3 films grown at t =10 min. the average transmittance is about 72%, The optical gap energy is found to decrease from 3.8 to 3.66 eV with growth time Increased from 4 to 10 min but after t = 10 min the value of E g will increase to 3.72 eV. A systematic study on the influence of growth time on the properties of In 2 O 3 thin films deposited by ultrasonic spray at 400 °C has been reported

  6. Influence of growth time on crystalline structure, morphologic and optical properties of In2O3 thin films

    Science.gov (United States)

    Attaf, A.; Bouhdjar, A.; Saidi, H.; Benkhetta, Y.; Bendjedidi, H.; Nouadji, M.; Lehraki, N.

    2015-03-01

    Indium oxide (In2O3) thin films are successfully deposited on glass substrate at different deposition timings by ultrasonic spray technique using Indium chloride (InCl3) material source witch is prepared with dissolvent Ethanol (C2H5-OH), the physical properties of these films are characterized by XRD, MEB,UV-visible. XRD analysis revealed that the films are polycrystalline in nature having centered cubic crystal structure and symmetry space group I213 with a preferred grain orientation along to (222) plane when the deposition time changes from 4 to 10 min but after t = 10 min, especially when t = 13 min we found that the majority of grains preferred the plane (400). The maximum value of grain size D = 61,51 nm is attained for In2O3 films grown at t =10 min. the average transmittance is about 72%, The optical gap energy is found to decrease from 3.8 to 3.66 eV with growth time Increased from 4 to 10 min but after t = 10 min the value of Eg will increase to 3.72 eV. A systematic study on the influence of growth time on the properties of In2O3 thin films deposited by ultrasonic spray at 400 °C has been reported.

  7. An active robot vision system for real-time 3-D structure recovery

    Energy Technology Data Exchange (ETDEWEB)

    Juvin, D. [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. d`Electronique et d`Instrumentation Nucleaire; Boukir, S.; Chaumette, F.; Bouthemy, P. [Rennes-1 Univ., 35 (France)

    1993-10-01

    This paper presents an active approach for the task of computing the 3-D structure of a nuclear plant environment from an image sequence, more precisely the recovery of the 3-D structure of cylindrical objects. Active vision is considered by computing adequate camera motions using image-based control laws. This approach requires a real-time tracking of the limbs of the cylinders. Therefore, an original matching approach, which relies on an algorithm for determining moving edges, is proposed. This method is distinguished by its robustness and its easiness to implement. This method has been implemented on a parallel image processing board and real-time performance has been achieved. The whole scheme has been successfully validated in an experimental set-up.

  8. An active robot vision system for real-time 3-D structure recovery

    International Nuclear Information System (INIS)

    Juvin, D.

    1993-01-01

    This paper presents an active approach for the task of computing the 3-D structure of a nuclear plant environment from an image sequence, more precisely the recovery of the 3-D structure of cylindrical objects. Active vision is considered by computing adequate camera motions using image-based control laws. This approach requires a real-time tracking of the limbs of the cylinders. Therefore, an original matching approach, which relies on an algorithm for determining moving edges, is proposed. This method is distinguished by its robustness and its easiness to implement. This method has been implemented on a parallel image processing board and real-time performance has been achieved. The whole scheme has been successfully validated in an experimental set-up

  9. Structural features that predict real-value fluctuations of globular proteins.

    Science.gov (United States)

    Jamroz, Michal; Kolinski, Andrzej; Kihara, Daisuke

    2012-05-01

    It is crucial to consider dynamics for understanding the biological function of proteins. We used a large number of molecular dynamics (MD) trajectories of nonhomologous proteins as references and examined static structural features of proteins that are most relevant to fluctuations. We examined correlation of individual structural features with fluctuations and further investigated effective combinations of features for predicting the real value of residue fluctuations using the support vector regression (SVR). It was found that some structural features have higher correlation than crystallographic B-factors with fluctuations observed in MD trajectories. Moreover, SVR that uses combinations of static structural features showed accurate prediction of fluctuations with an average Pearson's correlation coefficient of 0.669 and a root mean square error of 1.04 Å. This correlation coefficient is higher than the one observed in predictions by the Gaussian network model (GNM). An advantage of the developed method over the GNMs is that the former predicts the real value of fluctuation. The results help improve our understanding of relationships between protein structure and fluctuation. Furthermore, the developed method provides a convienient practial way to predict fluctuations of proteins using easily computed static structural features of proteins. Copyright © 2012 Wiley Periodicals, Inc.

  10. Visualization of drug-nucleic acid interactions at atomic resolution. I. Structure of an ethidium/dinucleoside monophosphate crystalline complex, ethidium:5-iodouridylyl(3'5')adenosine

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, C C; Jain, S C; Sobell, H M

    1977-01-01

    Ethidium forms a crystalline complex with the dinucleoside monophosphate 5-iodouridyly(3'-5')adenosine (iodoUpA). These crystals are monoclinic, space group C2, with unit cell dimensions, a = 28.45 A, b = 13.54 A, c = 34.13 A, ..beta.. = 98.6/sup 0/. The structure has been solved to atomic resolution by Patterson and Fourier methods, and refined by full matrix least-squares to a residual of 0.20 on 2017 observed reflections. The asymmetric unit contains two ethidium molecules, two iodoUpA molecules and 27 water molecules, a total of 155 atoms excluding hydrogens. The two iodoUpA molecules are held together by adenine.uracil Watson--Crick-type base-pairing. Adjacent base-pairs within this paired iodoUpA structure and between neighboring iodoUpA molecules in adjoining unit cells are separated by about 6.7 A; this separation results from intercalative binding by one ethidium molecule and stacking by the other ethidium molecule above and below the base-pairs. Non-crystallographic 2-fold symmetry is utilized in this model drug--nucleic acid interaction, the intercalated ethidium molecule being oriented such that its phenyl and ethyl groups lie in the narrow groove of the miniature nucleic acid double-helix. Base-pairs within the paired nucleotide units are related by a twist of 8/sup 0/. The magnitude of this angular twist is related to conformational changes in the sugar--phosphate chains that accompany drug intercalation. These changes partly reflect the differences in ribose sugar ring puckering that are observed. Additional small but systematic changes occur in torsional angles that involve the phosphodiester linkages and the C4'--C5' bond. Solution studies have indicated a marked sequence-specific binding preference in ethidium--dinucleotide interactions, and a probable structural explanation for this is provided by this study.

  11. Capital Structure and Diversification Strategies - A Study of Swedish Real Estate Companies Over Time

    OpenAIRE

    Hertéus, Robin; Hilmgård, Simon

    2016-01-01

    This thesis’ aim is to study four Swedish real estate companies between the years 2006-2015 to see whether their capital structure and investment strategies have changed over the years. The data upon which the thesis is based, is gathered from the four companies’ annual reports. These years are of interest due to the changing economic environment, both in Sweden and the world, during this time period. The time period includes one financial crisis and a never before experienced interest rate e...

  12. The crystal structure and luminescence quenching of poly- and single-crystalline KYW{sub 2}O{sub 8}:Tb{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Schwung, Sebastian [Fachbereich Chemieingenieurwesen, Fachhochschule Münster, Stegerwaldstraße 39, 48565 Steinfurt (Germany); Rytz, Daniel, E-mail: rytz@fee-io.de [Forschungsinstitut für mineralische und metallische Werkstoffe-Edelsteine/ Edelmetalle-GmbH (FEE), Struthstraße 2, 55743 Idar-Oberstein (Germany); Heying, Birgit; Rodewald, Ute Ch.; Niehaus, Oliver [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30 48149 Münster (Germany); Enseling, David [Fachbereich Chemieingenieurwesen, Fachhochschule Münster, Stegerwaldstraße 39, 48565 Steinfurt (Germany); Jüstel, Thomas, E-mail: tj@fh-muenster.de [Fachbereich Chemieingenieurwesen, Fachhochschule Münster, Stegerwaldstraße 39, 48565 Steinfurt (Germany); Pöttgen, Rainer, E-mail: pottgen@uni-muenster.de [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30 48149 Münster (Germany)

    2015-10-15

    Terbium-substituted KYW{sub 2}O{sub 8} single crystals of high optical quality were grown by the top seeded solution growth technique. The degree of yttrium–terbium mixed occupancy was determined for two samples through structure refinements on the basis of single crystal X-ray diffractometer data. Temperature dependent magnetic susceptibility data underline the paramagnetic nature of terbium doped crystals. No magnetic ordering is evident down to 2 K. Luminescence measurements yield the typical excitation and emission spectra as expected for Tb{sup 3+} activated materials. The decay time of Tb{sup 3+} decreases linearly with the Tb{sup 3+} concentration, while the excess of thermal quenching does not change significantly. At about 405 K the decay time is reduced by roughly 50% relative to the low-temperature value, both for the powders as for the single crystals. - Highlights: • Single crystalline and powder series of K(Y,Tb)W{sub 2}O{sub 8.} • Refined XRD data of high quality crystals. • Linear decrease of the decay time with Tb{sup 3+} content.

  13. Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements

    Science.gov (United States)

    Hu, Q.; Guo, S.; Wang, J. M.; Yan, Y. H.; Chen, S. S.; Lu, D. P.; Liu, K. M.; Zou, J. Z.; Zeng, X. R.

    2017-01-01

    Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields.

  14. Thermally driven smoothening of molecular thin films: Structural transitions in n-alkane layers studied in real-time

    Energy Technology Data Exchange (ETDEWEB)

    Pithan, Linus; Weber, Christopher; Zykov, Anton; Sauer, Katrein; Opitz, Andreas; Kowarik, Stefan, E-mail: stefan.kowarik@physik.hu-berlin.de [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Meister, Eduard; Brütting, Wolfgang [Institut für Physik, Universität Augsburg, 86135 Augsburg (Germany); Jin, Chenyu; Riegler, Hans [Max-Planck-Institut für Kolloid- und Grenzflächenforschung, 14476 Potsdam-Golm (Germany)

    2015-10-28

    We use thermal annealing to improve smoothness and to increase the lateral size of crystalline islands of n-tetratetracontane (TTC, C{sub 44}H{sub 90}) films. With in situ x-ray diffraction, we find an optimum temperature range leading to improved texture and crystallinity while avoiding an irreversible phase transition that reduces crystallinity again. We employ real-time optical phase contrast microscopy with sub-nm height resolution to track the diffusion of TTC across monomolecular step edges which causes the unusual smoothing of a molecular thin film during annealing. We show that the lateral island sizes increase by more than one order of magnitude from 0.5 μm to 10 μm. This desirable behavior of 2d-Ostwald ripening and smoothing is in contrast to many other organic molecular films where annealing leads to dewetting, roughening, and a pronounced 3d morphology. We rationalize the smoothing behavior with the highly anisotropic attachment energies and low surface energies for TTC. The results are technically relevant for the use of TTC as passivation layer and as gate dielectric in organic field effect transistors.

  15. Glycation precedes lens crystallin aggregation

    International Nuclear Information System (INIS)

    Swamy, M.S.; Perry, R.E.; Abraham, E.C.

    1987-01-01

    Non-enzymatic glycosylation (glycation) seems to have the potential to alter the structure of crystallins and make them susceptible to thiol oxidation leading to disulfide-linked high molecular weight (HMW) aggregate formation. They used streptozotocin diabetic rats during precataract and cataract stages and long-term cell-free glycation of bovine lens crystallins to study the relationship between glycation and lens crystallin aggregation. HMW aggregates and other protein components of the water-soluble (WS) and urea-soluble (US) fractions were separated by molecular sieve high performance liquid chromatography. Glycation was estimated by both [ 3 H]NaBH 4 reduction and phenylboronate agarose affinity chromatography. Levels of total glycated protein (GP) in the US fractions were about 2-fold higher than in the WS fractions and there was a linear increase in GP in both WS and US fractions. This increase was parallelled by a corresponding increase in HMW aggregates. Total GP extracted by the affinity method from the US fraction showed a predominance of HMW aggregates and vice versa. Cell-free glycation studies with bovine crystallins confirmed the results of the animals studies. Increasing glycation caused a corresponding increase in protein insolubilization and the insoluble fraction thus formed also contained more glycated protein. It appears that lens protein glycation, HMW aggregate formation, and protein insolubilization are interrelated

  16. Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

    Science.gov (United States)

    Hauptmann, Nadine; Dupé, Melanie; Hung, Tzu-Chao; Lemmens, Alexander K.; Wegner, Daniel; Dupé, Bertrand; Khajetoorians, Alexander A.

    2018-03-01

    We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground state. By additionally utilizing adatom manipulation, we reveal the chiral magnetic ground state of portions of the unit cell that were not previously imaged with spin-polarized scanning tunneling microscopy alone. Using density functional theory, we investigate the structural and electronic properties of the reconstructed bilayer and identify the favorable stoichiometry regime in agreement with our experimental result.

  17. Geologic columns for the ICDP-USGS Eyreville B core, Chesapeake Bay impact structure: Impactites and crystalline rocks, 1766 to 1096 m depth

    Science.gov (United States)

    Horton, J. Wright; Gibson, R.L.; Reimold, W.U.; Wittmann, A.; Gohn, G.S.; Edwards, L.E.

    2009-01-01

    The International Continental Scientific Drilling Program (ICDP)-U.S. Geological Survey (USGS) Eyreville drill cores from the Chesapeake Bay impact structure provide one of the most complete geologic sections ever obtained from an impact structure. This paper presents a series of geologic columns and descriptive lithologic information for the lower impactite and crystalline-rock sections in the cores. The lowermost cored section (1766-1551 m depth) is a complex assemblage of mica schists that commonly contain graphite and fibrolitic sillimanite, intrusive granite pegmatites that grade into coarse granite, and local zones of mylonitic deformation. This basement-derived section is variably overprinted by brittle cataclastic fabrics and locally cut by dikes of polymict impact breccia, including several suevite dikes. An overlying succession of suevites and lithic impact breccias (1551-1397 m) includes a lower section dominated by polymict lithic impact breccia with blocks (up to 17 m) and boulders of cataclastic gneiss and an upper section (above 1474 m) of suevites and clast-rich impact melt rocks. The uppermost suevite is overlain by 26 m (1397-1371 m) of gravelly quartz sand that contains an amphibolite block and boulders of cataclasite and suevite. Above the sand, a 275-m-thick allochthonous granite slab (1371-1096 m) includes gneissic biotite granite, fine- and medium-to-coarse-grained biotite granites, and red altered granite near the base. The granite slab is overlain by more gravelly sand, and both are attributed to debris-avalanche and/or rockslide deposition that slightly preceded or accompanied seawater-resurge into the collapsing transient crater. ?? 2009 The Geological Society of America.

  18. Visualization of drug-nucleic acid interactions at atomic resolution. II. Structure of an ethidium/dinucleoside monophosphate crystalline complex, ethidium:5-iodocytidylyl(3'5')guanosine

    Energy Technology Data Exchange (ETDEWEB)

    Jain, S C; Tsair, C C; Sobell, H M

    1977-01-01

    Ethidium forms a second crystalline complex with the dinucleoside monophosphate 5-iodocytidyl(3'-5')guanosine (iodoCpG). These crystals are monoclinic, P2/sub 1/, with a = 14.06 A, b = 32.34 A, c = 16.53 A, ..beta.. = 117.8/sup 0/. The structure has been solved to atomic resolution using rigid-body Patterson vector search and Fourier methods, and refined by full matrix least-squares to a residual of 0.16 on 3180 observed reflections. Both iodoCpG molecules are hydrogen-bonded together by guanine.cytosine Watson--Crick base-pairing. Adjacent base-pairs within this paired iodoCpG structure and between neighboring iodoCpG molecules in adjoining unit cells are separated by 6.7 A. Approximate 2-fold symmetry is used in the interaction; this reflects the pseudo-2-fold symmetry axis of the phenanthridinium ring system in ethidium coinciding with the approximate 2-fold axis relating base-paired iodoCpG molecules. The phenyl and ethyl groups of the intercalated ethidium molecule lie in the narrow groove of the miniature iodoCpG double-helix. The stacked ethidium, however, lies in the opposite direction, its phenyl and ethyl groups neighboring iodine atoms on cytosine residues. Base-pairs within the paired nucleotide units are related by a twist of about 8/sup 0/. The magnitude of this angular twist reflects conformational changes in the sugar--phosphate chains accompanying intercalation. These primarily reflect the differences in ribose sugar ring puckering that are observed (i.e., both iodocytidine residues have C3' endo sugar conformations, while both guanosine residues have C2' endo sugar conformations), and alterations in the glycosidic torsional angles that describe the base-sugar orientation.

  19. Real time 3D structural and Doppler OCT imaging on graphics processing units

    Science.gov (United States)

    Sylwestrzak, Marcin; Szlag, Daniel; Szkulmowski, Maciej; Gorczyńska, Iwona; Bukowska, Danuta; Wojtkowski, Maciej; Targowski, Piotr

    2013-03-01

    In this report the application of graphics processing unit (GPU) programming for real-time 3D Fourier domain Optical Coherence Tomography (FdOCT) imaging with implementation of Doppler algorithms for visualization of the flows in capillary vessels is presented. Generally, the time of the data processing of the FdOCT data on the main processor of the computer (CPU) constitute a main limitation for real-time imaging. Employing additional algorithms, such as Doppler OCT analysis, makes this processing even more time consuming. Lately developed GPUs, which offers a very high computational power, give a solution to this problem. Taking advantages of them for massively parallel data processing, allow for real-time imaging in FdOCT. The presented software for structural and Doppler OCT allow for the whole processing with visualization of 2D data consisting of 2000 A-scans generated from 2048 pixels spectra with frame rate about 120 fps. The 3D imaging in the same mode of the volume data build of 220 × 100 A-scans is performed at a rate of about 8 frames per second. In this paper a software architecture, organization of the threads and optimization applied is shown. For illustration the screen shots recorded during real time imaging of the phantom (homogeneous water solution of Intralipid in glass capillary) and the human eye in-vivo is presented.

  20. Capital accumulation, structural change and real exchange rate in a Keynesian-Structuralist growth model

    Directory of Open Access Journals (Sweden)

    Oreiro José Luis

    2015-01-01

    Full Text Available The aim of this paper is to show at theoretical level that maintaining a competitive real exchange rate positively affects the economic growth of developing countries by means of a Keynesian-Structuralist model that combines elements of Kaleckian growth models with the balance of payments constrained growth models pioneered developed by Thirlwall. In this setting, the level of real exchange rate is capable, due to its effect over capital accumulation, to induce a structural change in the economy, making endogenous income elasticities of exports and imports. For reasonable parameter values it is shown that in steady-state growth there is two long-run equilibrium values for real exchange rate, one that corresponds to an under-valued currency and another that corresponds to an over-valued currency. If monetary authorities run exchange rate policy in order to target a competitive level for real exchange rate, than under-valued equilibrium is stable and the economy will show a high growth rate in the long-run.

  1. EELS from organic crystalline materials

    International Nuclear Information System (INIS)

    Brydson, R; Seabourne, C R; Hondow, N; Eddleston, M D; Jones, W

    2014-01-01

    We report the use of the electron energy loss spectroscopy (EELS) for providing light element chemical composition information from organic, crystalline pharmaceutical materials including theophylline and paracetamol and discuss how this type of data can complement transmission electron microscopy (TEM) imaging and electron diffraction when investigating polymorphism. We also discuss the potential for the extraction of bonding information using electron loss near-edge structure (ELNES)

  2. Geo-electrical investigation of near surface conductive structures suitable for groundwater accumulation in a resistive crystalline basement environment: A case study of Isuada, southwestern Nigeria

    Science.gov (United States)

    Kayode, J. S.; Adelusi, A. O.; Nawawi, M. N. M.; Bawallah, M.; Olowolafe, T. S.

    2016-07-01

    This paper presents a geophysical surveying for groundwater identification in a resistive crystalline basement hard rock in Isuada area, Southwestern Nigeria. Very low frequency (VLF) electromagnetic and electrical resistivity geophysical techniques combined with well log were used to characterize the concealed near surface conductive structures suitable for groundwater accumulation. Prior to this work; little was known about the groundwater potential of this area. Qualitative and semi-quantitative interpretations of the data collected along eight traverses at 20 m spacing discovered conductive zones suspected to be fractures, faults, and cracks which were further mapped using Vertical Electrical Sounding (VES) technique. Forty VES stations were utilized using Schlumberger configurations with AB/2 varying from 1 to 100 m. Four layers i.e. the top soil, the weathered layer, the partially weathered/fractured basement and the fresh basement were delineated from the interpreted resistivity curves. The weathered layers constitute the major aquifer unit in the area and are characterized by moderately low resistivity values which ranged between about 52 Ωm and 270 Ωm while the thickness varied from 1 to 35 m. The depth to the basement and the permeable nature of the weathered layer obtained from both the borehole and the hand-dug wells was used to categorize the groundwater potential of the study area into high, medium and low ratings. The groundwater potential map revealed that about 45% of the study area falls within the low groundwater potential rating while about 10% constitutes the medium groundwater potential and the remaining 45% constitutes high groundwater potential. The low resistivity, thick overburden, and fractured bedrock constitute the aquifer units and the series of basement depressions identified from the geoelectric sections as potential conductive zones appropriate for groundwater development.

  3. Near Real Time Structural Health Monitoring with Multiple Sensors in a Cloud Environment

    Science.gov (United States)

    Bock, Y.; Todd, M.; Kuester, F.; Goldberg, D.; Lo, E.; Maher, R.

    2017-12-01

    A repeated near real time 3-D digital surrogate representation of critical engineered structures can be used to provide actionable data on subtle time-varying displacements in support of disaster resiliency. We describe a damage monitoring system of optimally-integrated complementary sensors, including Global Navigation Satellite Systems (GNSS), Micro-Electro-Mechanical Systems (MEMS) accelerometers coupled with the GNSS (seismogeodesy), light multi-rotor Unmanned Aerial Vehicles (UAVs) equipped with high-resolution digital cameras and GNSS/IMU, and ground-based Light Detection and Ranging (LIDAR). The seismogeodetic system provides point measurements of static and dynamic displacements and seismic velocities of the structure. The GNSS ties the UAV and LIDAR imagery to an absolute reference frame with respect to survey stations in the vicinity of the structure to isolate the building response to ground motions. The GNSS/IMU can also estimate the trajectory of the UAV with respect to the absolute reference frame. With these constraints, multiple UAVs and LIDAR images can provide 4-D displacements of thousands of points on the structure. The UAV systematically circumnavigates the target structure, collecting high-resolution image data, while the ground LIDAR scans the structure from different perspectives to create a detailed baseline 3-D reference model. UAV- and LIDAR-based imaging can subsequently be repeated after extreme events, or after long time intervals, to assess before and after conditions. The unique challenge is that disaster environments are often highly dynamic, resulting in rapidly evolving, spatio-temporal data assets with the need for near real time access to the available data and the tools to translate these data into decisions. The seismogeodetic analysis has already been demonstrated in the NASA AIST Managed Cloud Environment (AMCE) designed to manage large NASA Earth Observation data projects on Amazon Web Services (AWS). The Cloud provides

  4. THE RESTATEMENTS IMPACT OF THE REAL ESTATE ON THE INHERITANCE STRUCTURE

    Directory of Open Access Journals (Sweden)

    Adriana Craitar

    2016-12-01

    Full Text Available The modification of the recognition and consideration rules of the real estate in the patrimony of a company (beginning with 1st January 2015 leaded to new practices under the accounting aspect and under the analysis of the rates of structure. In the work, there are presented and explained the implications of accounting nature, in the first step and they are followed in a rational way by the modifications caused in the structure of the tangible elements. The practical aspects were followed and analyzed over a period of 3 years: between 2014 and 2016 being split pertinent conclusions. The decision of enclosing a real estate in one of the categories “Lands”, “Buildings” or “Investment property” is grounded in a big measure on the own accounting politics and on the professional reasoning. But, in report with this retreatment, notable modifications are registered in the tangible elements. These modifications appear in the size of the weight and also in the number of the structure rates for being calculated (determined by the introduction of new balance sheet to tangible.

  5. Crystalline color superconductivity

    International Nuclear Information System (INIS)

    Alford, Mark; Bowers, Jeffrey A.; Rajagopal, Krishna

    2001-01-01

    In any context in which color superconductivity arises in nature, it is likely to involve pairing between species of quarks with differing chemical potentials. For suitable values of the differences between chemical potentials, Cooper pairs with nonzero total momentum are favored, as was first realized by Larkin, Ovchinnikov, Fulde, and Ferrell (LOFF). Condensates of this sort spontaneously break translational and rotational invariance, leading to gaps which vary periodically in a crystalline pattern. Unlike the original LOFF state, these crystalline quark matter condensates include both spin-zero and spin-one Cooper pairs. We explore the range of parameters for which crystalline color superconductivity arises in the QCD phase diagram. If in some shell within the quark matter core of a neutron star (or within a strange quark star) the quark number densities are such that crystalline color superconductivity arises, rotational vortices may be pinned in this shell, making it a locus for glitch phenomena

  6. Tailored graph ensembles as proxies or null models for real networks I: tools for quantifying structure

    International Nuclear Information System (INIS)

    Annibale, A; Coolen, A C C; Fernandes, L P; Fraternali, F; Kleinjung, J

    2009-01-01

    We study the tailoring of structured random graph ensembles to real networks, with the objective of generating precise and practical mathematical tools for quantifying and comparing network topologies macroscopically, beyond the level of degree statistics. Our family of ensembles can produce graphs with any prescribed degree distribution and any degree-degree correlation function; its control parameters can be calculated fully analytically, and as a result we can calculate (asymptotically) formulae for entropies and complexities and for information-theoretic distances between networks, expressed directly and explicitly in terms of their measured degree distribution and degree correlations.

  7. Influence of Silver and Gold Nanoparticles and Thin Layers on Charge Carrier Generation in InGaN/GaN Multiple Quantum Well Structures and Crystalline Zinc Oxide Films

    Science.gov (United States)

    Mezdrogina, M. M.; Vinogradov, A. Ya.; Kozhanova, Yu. V.; Levitskii, V. S.

    2018-04-01

    It has been shown that Ag and Au nanoparticles and thin layers influence charge carrier generation in InGaN/GaN multiple quantum well structures and crystalline ZnO films owing to the surface morphology heterogeneity of the semiconductors. When nanoparticles 10 films, the radiation intensity has turned out to grow considerably because of a plasmon resonance with the participation of localized plasmons. The application of Ag or Au layers on the surface of the structures strongly attenuates the radiation. When Ag and Au nanoparticles are applied on crystalline ZnO films obtained by rf magnetron sputtering, the radiation intensity in the short-wavelength part of the spectrum increases insignificantly because of their highly heterogeneous surface morphology.

  8. A real-space stochastic density matrix approach for density functional electronic structure.

    Science.gov (United States)

    Beck, Thomas L

    2015-12-21

    The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

  9. Electrochemical synthesis of highly crystalline copper nanowires

    International Nuclear Information System (INIS)

    Kaur, Amandeep; Gupta, Tanish; Kumar, Akshay; Kumar, Sanjeev; Singh, Karamjeet; Thakur, Anup

    2015-01-01

    Copper nanowires were fabricated within the pores of anodic alumina template (AAT) by template synthesis method at pH = 2.9. X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to investigate the structure, morphology and composition of fabricated nanowires. These characterizations revealed that the deposited copper nanowires were highly crystalline in nature, dense and uniform. The crystalline copper nanowires are promising in application of future nanoelectronic devices and circuits

  10. Preparation of high crystalline nanoparticles of rare-earth based complex pervoskites and comparison of their structural and magnetic properties with bulk counterparts

    DEFF Research Database (Denmark)

    Basith, M. A.; Islam, M. A.; Ahmmad, Bashir

    2017-01-01

    of crystalline and amorphous phases. FESEM images demonstrate the formation of nanoparticles with average particle size in the range of 50–100 nm for both ultrasonication and 4 h (h) of ball milling. The bulk materials and nanoparticles synthesized by both ultrasonication and 4 h ball milling exhibit...... of the nanoparticles due to ball milling particularly for milling time exceeding 8 h. This investigation demonstrates the potential of ultrasonication as a simple route to prepare high crystalline rare-earth based manganite nanoparticles with improved control compared to the traditional ball milling technique....

  11. Real time nanoscale structural evaluation of gold structures on Si (100) surface using in-situ transmission electron microscopy

    International Nuclear Information System (INIS)

    Rath, A.; Juluri, R. R.; Satyam, P. V.

    2014-01-01

    Transport behavior of gold nanostructures on Si(100) substrate during annealing under high vacuum has been investigated using in-situ real time transmission electron microscopy (TEM). A comparative study has been done on the morphological changes due to annealing under different vacuum environments. Au thin films of thickness ∼2.0 nm were deposited on native oxide covered silicon substrate by using thermal evaporation system. In-situ real time TEM measurements at 850 °C showed the isotropic growth of rectangular/square shaped gold-silicon alloy structures. During the growth, it is observed that the alloying occurs in liquid phase followed by transformation into the rectangular shapes. For similar system, ex-situ annealing in low vacuum (10 −2 millibars) at 850 °C showed the spherical gold nanostructures with no Au-Si alloy formation. Under low vacuum annealing conditions, the rate of formation of the oxide layer dominates the oxide desorption rate, resulting in the creation of a barrier layer between Au and Si, which restricts the inter diffusion of Au in to Si. This work demonstrates the important role of interfacial oxide layer on the growth of nanoscale Au-Si alloy structures during the initial growth. The time dependent TEM images are presented to offer a direct insight into the fundamental dynamics of the sintering process at the nanoscale

  12. Pre-impact tectonothermal evolution of the crystalline basement-derived rocks in the ICDP-USGS Eyreville B core, Chesapeake Bay impact structure

    Science.gov (United States)

    Gibson, R.L.; Townsend, G.N.; Horton, J. Wright; Reimold, W.U.

    2009-01-01

    Pre-impact crystalline rocks of the lowermost 215 m of the Eyreville B drill core from the Chesapeake Bay impact structure consist of a sequence of pelitic mica schists with subsidiary metagraywackes or felsic metavolcanic rocks, amphibolite, and calc-silicate rock that is intruded by muscovite (??biotite, garnet) granite and granite pegmatite. The schists are commonly graphitic and pyritic and locally contain plagioclase porphyroblasts, fi brolitic sillimanite, and garnet that indicate middle- to upper-amphibolite-facies peak metamorphic conditions estimated at ??0.4-0.5 GPa and 600-670 ??C. The schists display an intense, shallowly dipping, S1 composite shear foliation with local micrometer- to decimeter-scale recumbent folds and S-C' shear band structures that formed at high temperatures. Zones of chaotically oriented foliation, resembling breccias but showing no signs of retrogression, are developed locally and are interpreted as shear-disrupted fold hinges. Mineral textural relations in the mica schists indicate that the metamorphic peak was attained during D1. Fabric analysis indicates, however, that subhorizontal shear deformation continued during retrograde cooling, forming mylonite zones in which high-temperature shear fabrics (S-C and S-C') are overprinted by progressively lower- temperature fabrics. Cataclasites and carbonate-cemented breccias in more competent lithologies such as the calc-silicate unit and in the felsic gneiss found as boulders in the overlying impactite succession may refl ect a fi nal pulse of low-temperature cataclastic deformation during D1. These breccias and the shear and mylonitic foliations are cut by smaller, steeply inclined anastomosing fractures with chlorite and calcite infill (interpreted as D2). This D2 event was accompanied by extensive chlorite-sericitecalcite ?? epidote retrogression and appears to predate the impact event. Granite and granite pegmatite veins display local discordance to the S1 foliation, but elsewhere

  13. Department of Defense Base Structure Report (A Summary of DOD's Real Property Inventory), Fiscal year 2005 Baseline

    National Research Council Canada - National Science Library

    2005-01-01

    The Base Structure Report represents a consolidated summary of the Services native real property inventories to provide an overall look at the physical infrastructure that makes up the Department of Defense...

  14. Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

    Energy Technology Data Exchange (ETDEWEB)

    Li, Junjie [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Wang, Xuan [Institute of physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Zhou, Haidong [National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Zhou, Jun; Cao, Jianming, E-mail: jcao@magnet.fsu.edu [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Cheng, J. G. [Texas Materials Institute, University of Texas at Austin, Austin, Texas 78712 (United States)

    2016-07-25

    We report a direct and real time measurement of photoinduced structure phase transition in single crystal La{sub 0.84}Sr{sub 0.16}MnO{sub 3} using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. The fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion following the photo-excitation. The slow process is attributed to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.

  15. A massively-parallel electronic-structure calculations based on real-space density functional theory

    International Nuclear Information System (INIS)

    Iwata, Jun-Ichi; Takahashi, Daisuke; Oshiyama, Atsushi; Boku, Taisuke; Shiraishi, Kenji; Okada, Susumu; Yabana, Kazuhiro

    2010-01-01

    Based on the real-space finite-difference method, we have developed a first-principles density functional program that efficiently performs large-scale calculations on massively-parallel computers. In addition to efficient parallel implementation, we also implemented several computational improvements, substantially reducing the computational costs of O(N 3 ) operations such as the Gram-Schmidt procedure and subspace diagonalization. Using the program on a massively-parallel computer cluster with a theoretical peak performance of several TFLOPS, we perform electronic-structure calculations for a system consisting of over 10,000 Si atoms, and obtain a self-consistent electronic-structure in a few hundred hours. We analyze in detail the costs of the program in terms of computation and of inter-node communications to clarify the efficiency, the applicability, and the possibility for further improvements.

  16. Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.

    Science.gov (United States)

    Kim, H; Lipscomb, W N

    1990-06-12

    O-[[(1R)-[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F], an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 A. The complex crystallizes in the space group P2(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 A on the electrophilic (Arg-127) side and 3.1 A on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

  17. Real-time strategy video game experience and structural connectivity - A diffusion tensor imaging study.

    Science.gov (United States)

    Kowalczyk, Natalia; Shi, Feng; Magnuski, Mikolaj; Skorko, Maciek; Dobrowolski, Pawel; Kossowski, Bartosz; Marchewka, Artur; Bielecki, Maksymilian; Kossut, Malgorzata; Brzezicka, Aneta

    2018-06-20

    Experienced video game players exhibit superior performance in visuospatial cognition when compared to non-players. However, very little is known about the relation between video game experience and structural brain plasticity. To address this issue, a direct comparison of the white matter brain structure in RTS (real time strategy) video game players (VGPs) and non-players (NVGPs) was performed. We hypothesized that RTS experience can enhance connectivity within and between occipital and parietal regions, as these regions are likely to be involved in the spatial and visual abilities that are trained while playing RTS games. The possible influence of long-term RTS game play experience on brain structural connections was investigated using diffusion tensor imaging (DTI) and a region of interest (ROI) approach in order to describe the experience-related plasticity of white matter. Our results revealed significantly more total white matter connections between occipital and parietal areas and within occipital areas in RTS players compared to NVGPs. Additionally, the RTS group had an altered topological organization of their structural network, expressed in local efficiency within the occipito-parietal subnetwork. Furthermore, the positive association between network metrics and time spent playing RTS games suggests a close relationship between extensive, long-term RTS game play and neuroplastic changes. These results indicate that long-term and extensive RTS game experience induces alterations along axons that link structures of the occipito-parietal loop involved in spatial and visual processing. © 2018 Wiley Periodicals, Inc.

  18. Local order dynamics: its application to the study of atomic mobility, of point defects in crystalline alloys, and of structural relaxation in amorphous alloys

    International Nuclear Information System (INIS)

    Balanzat, Emmanuel

    1983-01-01

    This research thesis addressed the study of the atomic mobility mechanism and of the atom movement dynamics in the case of crystalline alloys and of amorphous alloys. The first part is based on a previous study performed on an α-Cu 70 -Zn 30 crystalline alloy, and addresses the case of an α-Au 70 -Ni 30 alloy. The specificity of this case relies in the fact that the considered solid solution is metastable and susceptible to de-mixing in the considered temperature range. This case of off-equilibrium crystalline alloy is at the crossroad between steady crystalline alloys and metallic glasses which are studied in the second part. The third part addresses the irradiation of metallic amorphous alloys by fast particles (neutrons or electrons). The author tried to characterise atomic defects induced by irradiation and to compare them with pre-existing ones. He studied how these defects may change atomic mobility, and, more generally, to which extent the impact of energetic particles could modify local order status

  19. Oriented crystalline monolayers and bilayers of 2 x 2 silver(1) grid architectures at the air-solution interface: Their assembly and crystal structure elucidation

    DEFF Research Database (Denmark)

    Weissbuch, J.; Baxter, P.N.W.; Kuzmenko, I.

    2000-01-01

    Oriented crystalline monolayers, similar to 14 Angstrom thick, of a 2 x 2 Ag+ grid complex, self-assembled at the air-solution interface starting from an water-insoluble ligand 3,6-bis[2-(6-phenylpyridine)]pyridazine spread on silver-ion-containing solutions,were examined by grazing-incidence X...

  20. Biocompatibility of crystalline opal nanoparticles.

    Science.gov (United States)

    Hernández-Ortiz, Marlen; Acosta-Torres, Laura S; Hernández-Padrón, Genoveva; Mendieta, Alicia I; Bernal, Rodolfo; Cruz-Vázquez, Catalina; Castaño, Victor M

    2012-10-22

    Silica nanoparticles are being developed as a host of biomedical and biotechnological applications. For this reason, there are more studies about biocompatibility of silica with amorphous and crystalline structure. Except hydrated silica (opal), despite is presents directly and indirectly in humans. Two sizes of crystalline opal nanoparticles were investigated in this work under criteria of toxicology. In particular, cytotoxic and genotoxic effects caused by opal nanoparticles (80 and 120 nm) were evaluated in cultured mouse cells via a set of bioassays, methylthiazolyldiphenyl-tetrazolium-bromide (MTT) and 5-bromo-2'-deoxyuridine (BrdU). 3T3-NIH cells were incubated for 24 and 72 h in contact with nanocrystalline opal particles, not presented significant statistically difference in the results of cytotoxicity. Genotoxicity tests of crystalline opal nanoparticles were performed by the BrdU assay on the same cultured cells for 24 h incubation. The reduction of BrdU-incorporated cells indicates that nanocrystalline opal exposure did not caused unrepairable damage DNA. There is no relationship between that particles size and MTT reduction, as well as BrdU incorporation, such that the opal particles did not induce cytotoxic effect and genotoxicity in cultured mouse cells.

  1. Peculiarities of crystalline structure and mechanism of disordering of anion sublattice in superionic conductors of LaF3 structural type

    International Nuclear Information System (INIS)

    Krivorotov, V.F.; Fridman, A.A.

    2005-01-01

    On the basis of the analysis of LaF 3 type lattice structure the physical process of disordering of tysonit type ionic crystals is considered in the region of superionic phase transitions. The correlation of cell movement of disordering sublattice ions with parameter dynamics of Raman scattering spectrum of these crystals is observed. The anomaly behaviour of Raman scattering frequencies and intensities of lines 370, 392 sm -1 (LaF 3 ) and 304, 376, 404 sm -1 (PrF 3 ) in three intervals: 160-180, 260-290, and 440-480 K is obtained. Two more high temperature ones are connected with anion sublattice disordering process in the region of phase transitions. Excessive scattering in the region 160-180 K is described by the change of oscillation state of fluoride ions in small displacements in splitted site positions with several potential minimums. It is shown in the framework of splitted sites model that the possibility of thermoactivational formation of interstitials which are comparable with the size of mobile ions is due to the peculiarities of the structure of tysonit type ionic crystals. (author)

  2. Dissolution of crystalline ceramics

    International Nuclear Information System (INIS)

    White, W.B.

    1982-01-01

    The present program objectives are to lay out the fundamentals of crystalline waste form dissolution. Nuclear waste ceramics are polycrystalline. An assumption of the work is that to the first order, the release rate of a particular radionuclide is the surface-weighted sum of the release rates of the radionuclide from each crystalline form that contains it. In the second order, of course, there will be synergistic effects. There will be also grain boundary and other microstructural influences. As a first approximation, we have selected crystalline phases one at a time. The sequence of investigations and measurements is: (i) Identification of the actual chemical reactions of dissolution including identification of the solid reaction products if such occur. (ii) The rates of these reactions are then determined empirically to give what may be called macroscopic kinetics. (iii) Determination of the rate-controlling mechanisms. (iv) If the rate is controlled by surface reactions, the final step would be to determine the atomic kinetics, that is the specific atomic reactions that occur at the dissolving interface. Our concern with the crystalline forms are in two areas: The crystalline components of the reference ceramic waste form and related ceramics and the alumino-silicate phases that appear in some experimental waste forms and as waste-rock interaction products. Specific compounds are: (1) Reference Ceramic Phases (zirconolite, magnetoplumbite, spinel, Tc-bearing spinel and perovskite); (2) Aluminosilicate phases (nepheline, pollucite, CsAlSi 5 O 12 , Sr-feldspar). 5 figures, 1 table

  3. Seismic Monitoring To Assess Performance Of Structures In Near-Real Time: Recent Progress

    International Nuclear Information System (INIS)

    Celebi, Mehmet

    2008-01-01

    Earlier papers have described how observed data from classical accelerometers deployed in structures or from differential GPS with high sampling ratios deployed at roofs of tall buildings can be configured to establish seismic health monitoring of structures. In these configurations, drift ratios 1 are the main parametric indicator of damage condition of a structure or component of a structure.Real-time measurement of displacements are acquired either by double integration of accelerometer time-series data, or by directly using GPS. Recorded sensor data is then related to the performance level of a building. Performance-based design method stipulates that for a building the amplitude of relative displacement of the roof of a building (with respect to its base) indicates its performance.Usually, drift ratio is computed using relative displacement between two consecutive floors. When accelerometers are used, a specific software is used to compute displacements and drift ratios in realtime by double integration of accelerometer data from several floors. However, GPS-measured relative displacements are limited to being acquired only at the roof with respect to its reference base. Thus, computed drift ratio is the average drift ratio for the whole building. Until recently, the validity of measurements using GPS was limited to long-period structures (T>1 s) because GPS systems readily available were limited to 10-20 samples per seconds (sps) capability. However, presently, up to 50 sps differential GPS systems are available on the market and have been successfully used to monitor drift ratios [1,2]--thus enabling future usefulness of GPS to all types of structures. Several levels of threshold drift ratios can be postulated in order to make decisions for inspections and/or occupancy.Experience with data acquired from both accelerometers and GPS deployments indicates that they are reliable and provide pragmatic alternatives to alert the owners and other authorized parties

  4. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2010-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

  5. Crystalline cerium(IV) phosphates

    International Nuclear Information System (INIS)

    Herman, R.G.; Clearfield, A.

    1976-01-01

    The ion exchange behaviour of seven crystalline cerium(IV) phosphates towards some of the alkali metal cations is described. Only two of the compounds (A and C) possess ion exchange properties in acidic solutions. Four others show some ion exchange characteristics in basic media with some of the alkali cations. Compound G does not behave as an ion exchanger in solutions of pH + , but show very little Na + uptake. Compound E undergoes ion exchange with Na + and Cs + , but not with Li+. Both Li + and Na + are sorbed by compounds A and C. The results are indicative of structures which show steric exclusion phenomena. (author)

  6. The Alarcos settlement (Ciudad Real in the early first millennium BC: Structures and ceramics

    Directory of Open Access Journals (Sweden)

    M.ª del Rosario García Huerta

    2017-07-01

    Full Text Available The final Bronze Age and Early Iron Age of the south-western Meseta were insufficiently documented to be properly characterized until the final years of the 20th century. However, recent work at settlements such as Alarcos (Ciudad Real has obtained valuable information about the habitat structures and a large amount of well contextualized archaeological material (mainly pottery painted after firing. These are carefully-made tablewares whose decoration indicates a selective adoption of fashions and customs of Tartessian inspiration (e.g., Carambolo type and burnished-lattice ceramics as consequence of commercial exchanges. This new data is helping us achieve a better understanding of the new settlement patterns that started to appear at that time in the middle valley of the Guadiana river and shows the dynamism of the communities located there.

  7. Geology and structural outline of the Lagoa Real Complex, BA, Brazil

    International Nuclear Information System (INIS)

    Cruz, Simone Cerqueira Pereira; Cunha, Jose Carlos; Marinho, Moacir Moura; Noce, Carlos Mauricio

    2007-01-01

    The Lagoa Real Complex is constituted by 1.7 Ga granitoids that occur along the Paramirim valley. The granitoids are formed by the Sao Timoteo Granite and a set of alkali-gneisses that were crystallized during a compressional sin-metamorphic deformation episode. The carried out structural analysis has identified two deformation patterns. The compressional episode is represented by shear zones, compositional layering, milonite foliation and folds. The extensional episode is characterized by the nucleation of normal shear zones. The geometric patterns of the finite deformation are similar to the ones that occur in the Ituacu synclinal where the Salitre e Bebedouro formations of Una Group outcrop. An ancient geometric pattern was not found in the area; consequently we propose that the deformation episodes were related to the neoproterozoic Orogeny. (author)

  8. Hot electron and real space transfer in double-quantum-well structures

    International Nuclear Information System (INIS)

    Okuno, Eiichi; Sawaki, Nobuhiko; Akasaki, Isamu; Kano, Hiroyuki; Hashimoto, Masafumi.

    1991-01-01

    The hot electron phenomena and real space transfer (RST) effect are studied in GaAs/AlGaAs double-quantum-well (DQW) structures, in which we have two kind of quantum wells with different widths. The drift velocity and the electron temperature at liquid helium temperature are investigated as a function of the external electric field applied parallel to the heterointerface. By increasing the field, the electron temperature rises and reaches a plateau in the intermediate region, followed by further rise in the high-field region. The appearance of the plateau is attributed to the RST effect between the two quantum wells. The threshold field for the appearance of the plateau is determined by the difference energy between the quantized levels in two wells. The energy loss rate as a function of the electron temperature indicates that the RST is assisted by LO phonon scattering. (author)

  9. Servo-controlling structure of five-axis CNC system for real-time NURBS interpolating

    Science.gov (United States)

    Chen, Liangji; Guo, Guangsong; Li, Huiying

    2017-07-01

    NURBS (Non-Uniform Rational B-Spline) is widely used in CAD/CAM (Computer-Aided Design / Computer-Aided Manufacturing) to represent sculptured curves or surfaces. In this paper, we develop a 5-axis NURBS real-time interpolator and realize it in our developing CNC(Computer Numerical Control) system. At first, we use two NURBS curves to represent tool-tip and tool-axis path respectively. According to feedrate and Taylor series extension, servo-controlling signals of 5 axes are obtained for each interpolating cycle. Then, generation procedure of NC(Numerical Control) code with the presented method is introduced and the method how to integrate the interpolator into our developing CNC system is given. And also, the servo-controlling structure of the CNC system is introduced. Through the illustration, it has been indicated that the proposed method can enhance the machining accuracy and the spline interpolator is feasible for 5-axis CNC system.

  10. Evaluation of two updating methods for dissipative models on a real structure

    International Nuclear Information System (INIS)

    Moine, P.; Billet, L.

    1996-01-01

    Finite Element Models are widely used to predict the dynamic behaviour from structures. Frequently, the model does not represent the structure with all be expected accuracy i.e. the measurements realised on the structure differ from the data predicted by the model. It is therefore necessary to update the model. Although many modeling errors come from inadequate representation of the damping phenomena, most of the model updating techniques are up to now restricted to conservative models only. In this paper, we present two updating methods for dissipative models using Eigen mode shapes and Eigen values as behavioural information from the structure. The first method - the modal output error method - compares directly the experimental Eigen vectors and Eigen values to the model Eigen vectors and Eigen values whereas the second method - the error in constitutive relation method - uses an energy error derived from the equilibrium relation. The error function, in both cases, is minimized by a conjugate gradient algorithm and the gradient is calculated analytically. These two methods behave differently which can be evidenced by updating a real structure constituted from a piece of pipe mounted on two viscous elastic suspensions. The updating of the model validates an updating strategy consisting in realizing a preliminary updating with the error in constitutive relation method (a fast to converge but difficult to control method) and then to pursue the updating with the modal output error method (a slow to converge but reliable and easy to control method). Moreover the problems encountered during the updating process and their corresponding solutions are given. (authors)

  11. Structure and Dynamics of the Metal Site of Cadmium-Substituted Carboxypeptidase A in Solution and Crystalline States and under Steady-State peptide Catalysis

    DEFF Research Database (Denmark)

    Bauer, R.; Danielsen, E.; Hemmingsen, L.

    1997-01-01

    are consistent with an intact scissile peptide bond in the enzyme-substrate complex of Bz-Gly-L-Phe and Bz-Gly-Gly-L-Phe. A single nuclear quadrupole interaction (NQI) is observed for the crystalline state of the enzyme between pH 5.7 and pH 9.4. This NQI agrees with calculations based on the metal coordination...... geometry for cadmium in crystalline CPD derived from X-ray diffraction studies. A single broad distribution of NQIs is observed for CPD in sucrose solutions and 0.1 M NaCl at pH values below 6.5. This NQI (NQI-1') has parameters very close to those for the crystalline state. The enzyme metal site......, characterized by this NQI, is converted into two new enzyme metal sites over the pH range of 6.5-8.3. The metal coordination sphere of one of these has a NQI (NQI-1) with parameters similar to those at lower pH values (NQI-1') while the other NQI (NQI-2) is characterized by markedly different NQI parameters...

  12. First-principles real-space tight-binding LMTO calculation of electronic structures for atomic clusters

    International Nuclear Information System (INIS)

    Xie, Z.L.; Dy, K.S.; Wu, S.Y.

    1997-01-01

    A real-space scheme has been developed for a first-principles calculation of electronic structures and total energies of atomic clusters. The scheme is based on the combination of the tight-binding linear muffin-tin orbital (TBLMTO) method and the method of real-space Green close-quote s function. With this approach, the local electronic density of states can be conveniently determined from the real-space Green close-quote s function. Furthermore, the full electron density of a cluster can be directly calculated in real space. The scheme has been shown to be very efficient due to the incorporation of the method of real-space Green close-quote s function and Delley close-quote s method of evaluating multicenter integrals. copyright 1996 The American Physical Society

  13. Hydrogen-related effects in crystalline semiconductors

    International Nuclear Information System (INIS)

    Haller, E.E.

    1988-08-01

    Recent experimental and theoretical information regarding the states of hydrogen in crystalline semiconductors is reviewed. The abundance of results illustrates that hydrogen does not preferentially occupy a few specific lattice sites but that it binds to native defects and impurities, forming a large variety of neutral and electrically active complexes. The study of hydrogen passivated shallow acceptors and donors and of partially passivated multivalent acceptors has yielded information on the electronic and real space structure and on the chemical composition of these complexes. Infrared spectroscopy, ion channeling, hydrogen isotope substitution and electric field drift experiments have shown that both static trigonal complexes as well as centers with tunneling hydrogen exist. Total energy calculations indicate that the charge state of the hydrogen ion which leads to passivation dominates, i.e., H + in p-type and H/sup /minus// in n-type crystals. Recent theoretical calculations indicate that is unlikely for a large fraction of the atomic hydrogen to exist in its neutral state, a result which is consistent with the total absence of any Electron Paramagnetic Resonance (EPR) signal. An alternative explanation for this result is the formation of H 2 . Despite the numerous experimental and theoretical results on hydrogen-related effects in Ge and Si there remains a wealth of interesting physics to be explored, especially in compound and alloy semiconductors. 6 refs., 6 figs

  14. Wireless and real-time structural damage detection: A novel decentralized method for wireless sensor networks

    Science.gov (United States)

    Avci, Onur; Abdeljaber, Osama; Kiranyaz, Serkan; Hussein, Mohammed; Inman, Daniel J.

    2018-06-01

    Being an alternative to conventional wired sensors, wireless sensor networks (WSNs) are extensively used in Structural Health Monitoring (SHM) applications. Most of the Structural Damage Detection (SDD) approaches available in the SHM literature are centralized as they require transferring data from all sensors within the network to a single processing unit to evaluate the structural condition. These methods are found predominantly feasible for wired SHM systems; however, transmission and synchronization of huge data sets in WSNs has been found to be arduous. As such, the application of centralized methods with WSNs has been a challenge for engineers. In this paper, the authors are presenting a novel application of 1D Convolutional Neural Networks (1D CNNs) on WSNs for SDD purposes. The SDD is successfully performed completely wireless and real-time under ambient conditions. As a result of this, a decentralized damage detection method suitable for wireless SHM systems is proposed. The proposed method is based on 1D CNNs and it involves training an individual 1D CNN for each wireless sensor in the network in a format where each CNN is assigned to process the locally-available data only, eliminating the need for data transmission and synchronization. The proposed damage detection method operates directly on the raw ambient vibration condition signals without any filtering or preprocessing. Moreover, the proposed approach requires minimal computational time and power since 1D CNNs merge both feature extraction and classification tasks into a single learning block. This ability is prevailingly cost-effective and evidently practical in WSNs considering the hardware systems have been occasionally reported to suffer from limited power supply in these networks. To display the capability and verify the success of the proposed method, large-scale experiments conducted on a laboratory structure equipped with a state-of-the-art WSN are reported.

  15. A real-time all-atom structural search engine for proteins.

    Science.gov (United States)

    Gonzalez, Gabriel; Hannigan, Brett; DeGrado, William F

    2014-07-01

    Protein designers use a wide variety of software tools for de novo design, yet their repertoire still lacks a fast and interactive all-atom search engine. To solve this, we have built the Suns program: a real-time, atomic search engine integrated into the PyMOL molecular visualization system. Users build atomic-level structural search queries within PyMOL and receive a stream of search results aligned to their query within a few seconds. This instant feedback cycle enables a new "designability"-inspired approach to protein design where the designer searches for and interactively incorporates native-like fragments from proven protein structures. We demonstrate the use of Suns to interactively build protein motifs, tertiary interactions, and to identify scaffolds compatible with hot-spot residues. The official web site and installer are located at http://www.degradolab.org/suns/ and the source code is hosted at https://github.com/godotgildor/Suns (PyMOL plugin, BSD license), https://github.com/Gabriel439/suns-cmd (command line client, BSD license), and https://github.com/Gabriel439/suns-search (search engine server, GPLv2 license).

  16. Observation of crystalline changes of titanium dioxide during lithium insertion by visible spectrum analysis.

    Science.gov (United States)

    Nam, Inho; Park, Jongseok; Park, Soomin; Bae, Seongjun; Yoo, Young Geun; Han, Jeong Woo; Yi, Jongheop

    2017-05-24

    Real-time analysis of changes in the atomic environment of materials is a cutting edge technology that is being used to explain reaction dynamics in many fields of science. Previously, this kind of analysis was only possible using heavy nucleonic equipment such as XANES and EXAFS, or Raman spectroscopy on a moderate scale. Here, a new methodology is described that can be used to track changes in crystalline developments during complex Li insertion reactions via the observation of structural color. To be specific, the changes in atomic crystalline and nanostructure are shown during Li insertion in a complex TiO 2 polymorph. Structural color corresponds to the refractive indices of materials originating from their atomic bonding nature and precise wave interferences in accordance with their nanostructure. Therefore, this new analysis simultaneously reveals changes in the nanostructure as well as changes in the atomic bonding nature of materials.

  17. Bio-based liquid crystalline polyesters

    Science.gov (United States)

    Wilsens, Carolus; Rastogi, Sanjay; Dutch Collaboration

    2013-03-01

    The reported thin-film polymerization has been used as a screening method in order to find bio-based liquid crystalline polyesters with convenient melting temperatures for melt-processing purposes. An in depth study of the structural, morphological and chemical changes occurring during the ongoing polycondensation reactions of these polymers have been performed. Structural and conformational changes during polymerization for different compositions have been followed by time resolved X-ray and Infrared spectroscopy. In this study, bio-based monomers such as vanillic acid and 2,5-furandicarboxylic acid are successfully incorporated in liquid crystalline polyesters and it is shown that bio-based liquid crystalline polymers with high aromatic content and convenient processing temperatures can be synthesized. Special thanks to the Dutch Polymer Institute for financial support

  18. Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

    International Nuclear Information System (INIS)

    Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

    1999-01-01

    We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

  19. Study by X-ray difraction of the alites and the influency of the quenching in it's structure and it's crystalline system

    Directory of Open Access Journals (Sweden)

    Triviño Vázquez, F.

    1989-12-01

    Full Text Available It is studied the influence of Fe, Al and Mg in the changes that have been produced by quench in the crystalline system of the alite and so it possible relation with the mechanical resistances.

    Este trabajo trata sobre el estudio de la influencia del Fe, Al y Mg en los cambios que han sido producidos por templado en el sistema cristalino de las alitas y su posible relación con las resistencias mecánicas.

  20. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2013-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

  1. DISLOCATIONS STRUCTURE AND SCATTERING PHENOMENON IN CRYSTALLINE CELL SIZE OF 2024 AL ALLOY DEFORMED BY ONE PASS OF ECAP AT ROOM TEMPERATURE

    Directory of Open Access Journals (Sweden)

    M. H. Goodarzy

    2014-03-01

    Full Text Available Variation in microstructural features of 2024 aluminum alloy plastically deformed by equal channel angular pressing (ECAP at room temperature, was investigated by X-Ray diffraction in this work. These include dislocation density dislocation characteristic and the cell size of crystalline domains. Dislocations contrast factor was calculated using elastic constants of the alloy such as C 11, C 22 and C 44 . The effect of dislocations contrast factor on the anisotropic strain broadening of diffraction profiles was considered for measuring the microstructural features on the base of the modified Williamson-Hall and Warren-Averbach methods. Results showed that the dislocations density of the solution annealed sample increased from 4.28×10 12m-2 to 2.41×10 14m-2 after one pass of cold ECAP and the fraction of edge dislocations in the solution annealed sample increased from 43% to 74% after deformation. This means that deformation changed the overall dislocations characteristic more to edge dislocations. Also the crystalline cell size of the solution annealed sample decreased from 0.83μm to about 210nm after one pass of ECAP process at room temperature

  2. Variation on Molecular Structure, Crystallinity, and Optical Properties of Dentin Due to Nd:YAG Laser and Fluoride Aimed at Tooth Erosion Prevention

    Science.gov (United States)

    Freitas, Anderson Z.; Bachmann, Luciano; Benetti, Carolina; Ana, Patricia A.

    2018-01-01

    This in vitro study evaluated the compositional, crystalline, and morphological effects promoted by Nd:YAG laser on root dentin, and verified the effects of laser and topical acidulated phosphate fluoride application (APF-gel) on dentin erosion. 180 bovine dentin slabs were randomized into 4 groups (n = 45): G1–untreated, G2–APF-gel (1.23% F−, 4 min), G3–Nd:YAG (1064 nm, 84.9 J/cm2, 10 Hz), and G4–APF-gel application followed by Nd:YAG laser irradiation. The compositional, crystalline, and morphological effects promoted by treatments were investigated on five samples of each experimental group. The other samples were submitted to a 5-day, 10-day, or 15-day erosive and abrasive demineralization and remineralization cycling in order to create erosion lesions. The area and depth of lesions, as well as the optical attenuation coefficient, were assessed, and all data were statistically analysed (p laser promoted the reduction of carbonate, the formation of tetracalcium phosphate, as well as the melting and recrystallization of the dentin surface. Laser significantly decreased the area and depth of erosion lesions and altered the optical attenuation coefficient when compared to untreated and APF-gel groups, but the association of APF-gel and laser did not promote an additional effect. Nd:YAG laser irradiation can be a promissory treatment to prevent dentin erosion and the abrasion process. PMID:29389868

  3. Real-time deformations of organ based on structural mechanics for surgical simulators

    Science.gov (United States)

    Nakaguchi, Toshiya; Tagaya, Masashi; Tamura, Nobuhiko; Tsumura, Norimichi; Miyake, Yoichi

    2006-03-01

    This research proposes the deformation model of organs for the development of the medical training system using Virtual Reality (VR) technology. First, the proposed model calculates the strains of coordinate axis. Secondly, the deformation is obtained by mapping the coordinate of the object to the strained coordinate. We assume the beams in the coordinate space to calculate the strain of the coordinate axis. The forces acting on the object are converted to the forces applied to the beams. The bend and the twist of the beams are calculated based on the theory of structural mechanics. The bend is derived by the finite element method. We propose two deformation methods which differ in the position of the beams in the coordinate space. One method locates the beams along the three orthogonal axes (x, y, z). Another method locates the beam in the area where the deformation is large. In addition, the strain of the coordinate axis is attenuated in proportion to the distance from the point of action to consider the attenuation of the stress which is a viscoelastic feature of the organs. The proposed model needs less computational cost compared to the conventional deformation method since our model does not need to divide the object into the elasticity element. The proposed model was implemented in the laparoscopic surgery training system, and a real-time deformation can be realized.

  4. Augmented real-time navigation with critical structure proximity alerts for endoscopic skull base surgery.

    Science.gov (United States)

    Dixon, Benjamin J; Daly, Michael J; Chan, Harley; Vescan, Allan; Witterick, Ian J; Irish, Jonathan C

    2014-04-01

    Image-guided surgery (IGS) systems are frequently utilized during cranial base surgery to aid in orientation and facilitate targeted surgery. We wished to assess the performance of our recently developed localized intraoperative virtual endoscopy (LIVE)-IGS prototype in a preclinical setting prior to deployment in the operating room. This system combines real-time ablative instrument tracking, critical structure proximity alerts, three-dimensional virtual endoscopic views, and intraoperative cone-beam computed tomographic image updates. Randomized-controlled trial plus qualitative analysis. Skull base procedures were performed on 14 cadaver specimens by seven fellowship-trained skull base surgeons. Each subject performed two endoscopic transclival approaches; one with LIVE-IGS and one using a conventional IGS system in random order. National Aeronautics and Space Administration Task Load Index (NASA-TLX) scores were documented for each dissection, and a semistructured interview was recorded for qualitative assessment. The NASA-TLX scores for mental demand, effort, and frustration were significantly reduced with the LIVE-IGS system in comparison to conventional navigation (P < .05). The system interface was judged to be intuitive and most useful when there was a combination of high spatial demand, reduced or absent surface landmarks, and proximity to critical structures. The development of auditory icons for proximity alerts during the trial better informed the surgeon while limiting distraction. The LIVE-IGS system provided accurate, intuitive, and dynamic feedback to the operating surgeon. Further refinements to proximity alerts and visualization settings will enhance orientation while limiting distraction. The system is currently being deployed in a prospective clinical trial in skull base surgery. © 2013 The American Laryngological, Rhinological and Otological Society, Inc.

  5. Metamict state radiation damage in crystalline materials

    International Nuclear Information System (INIS)

    Haaker, R.F.; Ewing, R.C.

    1979-01-01

    Metamict minerals provide an excellent basis for the evaluation of long-term radiation damage effects, particularly such changes in physical and chemical properties as microfracturing, hydrothermal alteration, and solubility. This paper summarizes pertinent literature on metamictization and proposes experiments that are critical to the elucidation of structural controls on radiation damage in crystalline phases

  6. Microscopic theory of singlet exciton fission. III. Crystalline pentacene

    International Nuclear Information System (INIS)

    Berkelbach, Timothy C.; Reichman, David R.; Hybertsen, Mark S.

    2014-01-01

    We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstrating significant charge-transfer character in the low-lying excited states. The impact of this electronic structure on the subsequent singlet fission dynamics is assessed by performing real-time master-equation calculations involving hundreds of quantum states. We make direct comparisons with experimental absorption spectra and singlet fission rates, finding good quantitative agreement in both cases, and we discuss the mechanistic distinctions that exist between small isolated aggregates and bulk systems

  7. Microscopic theory of singlet exciton fission. III. Crystalline pentacene

    Energy Technology Data Exchange (ETDEWEB)

    Berkelbach, Timothy C., E-mail: tcb2112@columbia.edu; Reichman, David R., E-mail: drr2103@columbia.edu [Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027 (United States); Hybertsen, Mark S., E-mail: mhyberts@bnl.gov [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

    2014-08-21

    We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstrating significant charge-transfer character in the low-lying excited states. The impact of this electronic structure on the subsequent singlet fission dynamics is assessed by performing real-time master-equation calculations involving hundreds of quantum states. We make direct comparisons with experimental absorption spectra and singlet fission rates, finding good quantitative agreement in both cases, and we discuss the mechanistic distinctions that exist between small isolated aggregates and bulk systems.

  8. Equivalence between Born–Infeld tachyon and effective real scalar field theories for brane structures in warped geometry

    International Nuclear Information System (INIS)

    Bernardini, A.E.; Bertolami, O.

    2013-01-01

    An equivalence between Born–Infeld and effective real scalar field theories for brane structures is built in some specific warped space–time scenarios. Once the equations of motion for tachyon fields related to the Born–Infeld action are written as first-order equations, a simple analytical connection with a particular class of real scalar field superpotentials can be found. This equivalence leads to the conclusion that, for a certain class of superpotentials, both systems can support identical thick brane solutions as well as brane structures described through localized energy densities, T 00 (y), in the 5th dimension, y. Our results indicate that thick brane solutions realized by the Born–Infeld cosmology can be connected to real scalar field brane scenarios which can be used to effectively map the tachyon condensation mechanism

  9. Effect of the coupling between electronic structure and crystalline structure on some properties of transition metals; Couplage entre structure electronique et structure cristalline: effet sur quelques proprietes des metaux de transition

    Energy Technology Data Exchange (ETDEWEB)

    Nastar, M

    1994-10-14

    The elastic constants, energetic stabilities and vacancy formation energies in transition metals are calculated within a Tight Binding model. In order to outline the effect of the electronic structure, these properties are represented as functions of band filling. The variation of the shear elastic constants of hexagonal close packed (HCP), body centered cubic (BCC) and face centered cubic (FCC) structures, is in contrast with the roughly parabolic behavior of bulk modulus. The general trends are in very good agreement with available experimental and `ab initio` data. The vacancy formation energy in the BCC structure shows strong deviations from bell shape behavior with a maximum corresponding approximately to the band filling of group 6. This band filling effect contributes to the noticeable decrease of the self diffusion rate between group 4 and group 6. We demonstrate that the abrupt increase of the C` elastic constant, the NT{sub 1} (0.-1.1) phonon frequency, the energy differences between BCC and HCP and between FCC and HCP as well as the vacancy formation energy, that occurs when going from Zr to Mo, is related to the presence of a pseudo-gap in the density of states of the BCC structure. Using the recursion method, we show that the general trends of these properties are correctly reproduced when considering only a few moments of the density of states (about 6). On the other hand, details such as the elastic constant singularities, are displayed only with an exact calculation of the density of states. (Author). 173 refs., 84 figs., 5 tabs.

  10. WORKSHOP: Crystalline beams

    International Nuclear Information System (INIS)

    Anon.

    1989-01-01

    Following pioneer work by specialists at the Soviet Novosibirsk Laboratory some ten years ago, interest developed in the possibility of 'freezing' ion beams in storage rings by pushing cooling (to smooth out beam behaviour) to its limits, the final goal being to lock the ions into a neat crystal pattern. After advances by groups working on laser cooled ions in traps, and with several cooling rings now in operation, a workshop on crystalline ion beams was organized recently by the GSI (Darmstadt) Laboratory and held at Wertheim in Germany

  11. The effect of doped zinc on the structural properties of nano-crystalline (Se{sub 0.8}Te{sub 0.2}){sub 100-x}Zn{sub x}

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Arun, E-mail: arunkumar82@pu.ac.in [Department of Physics, Panjab University, Chandigarh, INDIA-160014. (India); Guru Nanak National College, Doraha, Panjab, INDIA-141421. (India); Singh, Harkawal; Gill, P. S. [Sri Guru Gobind Singh College, Sector-26, Chandigarh, INDIA-160026. (India); Goyal, Navdeep, E-mail: n.goyal@pu.ac.in [Department of Physics, Panjab University, Chandigarh, INDIA-160014. (India)

    2016-05-06

    The effect of metallic zinc (Zn) on the structural properties of (Se{sub 0.8}Te{sub 0.2}){sub 1-X}Zn{sub X} (x=0, 2, 6, 8, 10) samples analyzed by X-ray Diffraction (XRD). The presence of sharp peaks in XRD patterns confirmed the crystalline nature of the samples and is indexed in orthorhombic crystal structure. XRD studies predicts that the average particle size of all the samples are about 46.29 nm, which is less than 100 nm and hence have strong tendency of agglomeration. Williamson-Hall plot method was used to evaluate the lattice strain. The dislocation density and no. of unit cells of the samples were calculated which show the inverse relation with each other. Morphology index derived from FWHM of XRD data explains the direct relationship with the particle size.

  12. Liquid Crystalline Semiconductors Materials, properties and applications

    CERN Document Server

    Kelly, Stephen; O'Neill, Mary

    2013-01-01

    This is an exciting stage in the development of organic electronics. It is no longer an area of purely academic interest as increasingly real applications are being developed, some of which are beginning to come on-stream. Areas that have already been commercially developed or which are under intensive development include organic light emitting diodes (for flat panel displays and solid state lighting), organic photovoltaic cells, organic thin film transistors (for smart tags and flat panel displays) and sensors. Within the family of organic electronic materials, liquid crystals are relative newcomers. The first electronically conducting liquid crystals were reported in 1988 but already a substantial literature has developed. The advantage of liquid crystalline semiconductors is that they have the easy processability of amorphous and polymeric semiconductors but they usually have higher charge carrier mobilities. Their mobilities do not reach the levels seen in crystalline organics but they circumvent all of t...

  13. Total scattering of disordered crystalline functional materials

    International Nuclear Information System (INIS)

    Shamoto, Shin-Ichi; Kodama, Katsuaki; Iikubo, Satoshi; Taguchi, Tomitsugu

    2009-01-01

    There are disorders in some modern functional materials. As an example, the crystalline phase of an optical recording material has low thermal conductivity but high electrical conductivity, simultaneously. This contradiction is a challenge to material scientists in designing good functional materials, which should have at least two types of crystallographic sites. One site limits thermal conductivity while the other site carries electrons or holes with high mobility. This problem exists with not only optical recording materials but also thermoelectric materials. The periodic boundary condition gets lost in the disordered parts. This therefore, makes atomic pair distribution function (PDF) analysis with a wide range of real space suitable for investigating the form and size of crystalline parts as well as disordered parts in the material. Pulsed neutron powder diffraction is one of the best tools for use in this new type of emerging research, together with synchrotron X-ray powder diffraction and electron diffraction.

  14. Real-time measurement of dynamic structure for Pd-D system in heavy-water electrolysis cell

    International Nuclear Information System (INIS)

    Wang Jun; Zeng Xianxin; Yang Jilian; Zhang Baisheng; Ruan Jinghui

    1993-01-01

    The real-time dynamic structure of Pd-D system in D 2 O electrolysis cell is measured on neutron powder diffractometer in CIAE. Diffraction patterns in 2 θ range of 34 degree-95 degree are obtained under the conditions of electrolysing for 0, 3 and 48 A ·h respectively, and the gradual transition of Pd-D system from α-phase to β-phase is observed. The real-time measurements of β peak of (220) reflection show that intensity of β peak almost reaches the saturation point after electrolysing for 0.65 A · h and increases slowly with further electrolysis afterwards

  15. Water-structuring technology with the molecular chaperone proteins: indicated application of the α-crystallin domains and imidazole-containing peptidomimetics in cosmetic skin care systems or dermatological therapeutic drug carrier formulations.

    Science.gov (United States)

    Babizhayev, Mark A; Nikolayev, Gennady M; Nikolayeva, Juliana G; Yegorov, Yegor E

    2011-01-01

    Changes in structural proteins and hydration during aging are responsible for altered skin morphologic and mechanical properties manifested as wrinkling, sagging, loss of elasticity, and apparent dryness. Impairment in protein hydration may add to the ultrastructural, mechanical, and biochemical changes in structural proteins in the aged skin. At Innovative Vision Products, Inc., we have pioneered a molecular chaperone protein-activated therapeutic or cosmetic platform to enable simultaneous analysis of water-binding and structuring characteristics for biology-related or skin aging and skin disease-related pathways. This cutting-edge technology has changed the hydration of proteins in photoaged skin which so that they are more compact and interact with water to limited degree. The mechanisms of skin diseases, aging, and cellular and signaling pathways mediated by targeting with molecular chaperone protein(s) are considered. Skin lesions that are growing, spreading, or pigmented, and those that occur on exposed areas of skin are likely to be treated by these emerging pharmacological chaperones that could have cosmetic or dermatological benefits. Examples of such chaperones are anti-/trans-glycation-imidazole-containing peptidomimetic(s) (natural L-carnosine derivatives and mimetics) combined with the molecular chaperone protein α-crystallin derived from a natural source, brine shrimp (Artemia franciscana) cysts, or with recombinant human αA-crystallin. This patented biotechnology represents an efficient tool with which to mitigate the consequences of free radical-induced skin damage. The article is organized to provide in one place all of the relevant technical information, such as high-performance nuclear magnetic resonance and electron spin resonance application tools, and to describe the entire process from sample preparation to data analysis, which is moving from biological studies to biotechnology batches of the product. The proposed biotechnology results in

  16. 2D virtual texture on 3D real object with coded structured light

    Science.gov (United States)

    Molinier, Thierry; Fofi, David; Salvi, Joaquim; Gorria, Patrick

    2008-02-01

    Augmented reality is used to improve color segmentation on human body or on precious no touch artifacts. We propose a technique to project a synthesized texture on real object without contact. Our technique can be used in medical or archaeological application. By projecting a suitable set of light patterns onto the surface of a 3D real object and by capturing images with a camera, a large number of correspondences can be found and the 3D points can be reconstructed. We aim to determine these points of correspondence between cameras and projector from a scene without explicit points and normals. We then project an adjusted texture onto the real object surface. We propose a global and automatic method to virtually texture a 3D real object.

  17. The Wage Bargaining Structure in Norway and Sweden and its Influenceon Real Wage Developments

    OpenAIRE

    Alun H. Thomas

    1998-01-01

    The paper investigates the determinants of wages in the tradables and service sectors in Norway and Sweden. Tradables wages are determined by their own productivity growth whereas service sector wages are influenced by wage growth in the tradables sector. The traditional strong sensitivity of the real wage to changes in the unemployment rate has been virtually eliminated since the recessionary period in the early 1990s in Sweden, and real wages have grown faster than macroeconomic factors alo...

  18. Real Hypersurfaces of Nonflat Complex Projective Planes Whose Jacobi Structure Operator Satisfies a Generalized Commutative Condition

    Directory of Open Access Journals (Sweden)

    Theocharis Theofanidis

    2016-01-01

    Full Text Available Real hypersurfaces satisfying the condition ϕl=lϕ(l=R(·,ξξ have been studied by many authors under at least one more condition, since the class of these hypersurfaces is quite tough to be classified. The aim of the present paper is the classification of real hypersurfaces in complex projective plane CP2 satisfying a generalization of ϕl=lϕ under an additional restriction on a specific function.

  19. Gamma crystallins of the human eye lens.

    Science.gov (United States)

    Vendra, Venkata Pulla Rao; Khan, Ismail; Chandani, Sushil; Muniyandi, Anbukkarasi; Balasubramanian, Dorairajan

    2016-01-01

    Protein crystallins co me in three types (α, β and γ) and are found predominantly in the eye, and particularly in the lens, where they are packed into a compact, plastic, elastic, and transparent globule of proper refractive power range that aids in focusing incoming light on to the retina. Of these, the γ-crystallins are found largely in the nuclear region of the lens at very high concentrations (>400 mg/ml). The connection between their structure and inter-molecular interactions and lens transparency is an issue of particular interest. We review the origin and phylogeny of the gamma crystallins, their special structure involving the use of Greek key supersecondary structural motif, and how they aid in offering the appropriate refractive index gradient, intermolecular short range attractive interactions (aiding in packing them into a transparent ball), the role that several of the constituent amino acid residues play in this process, the thermodynamic and kinetic stability and how even single point mutations can upset this delicate balance and lead to intermolecular aggregation, forming light-scattering particles which compromise transparency. We cite several examples of this, and illustrate this by cloning, expressing, isolating and comparing the properties of the mutant protein S39C of human γS-crystallin (associated with congenital cataract-microcornea), with those of the wild type molecule. In addition, we note that human γ-crystallins are also present in other parts of the eye (e.g., retina), where their functions are yet to be understood. There are several 'crucial' residues in and around the Greek key motifs which are essential to maintain the compact architecture of the crystallin molecules. We find that a mutation that replaces even one of these residues can lead to reduction in solubility, formation of light-scattering particles and loss of transparency in the molecular assembly. Such a molecular understanding of the process helps us construct the

  20. Electronic structure of crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2}: LCAO calculations with the basis set optimization

    Energy Technology Data Exchange (ETDEWEB)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V [Department of Quantum Chemistry, St. Petersburg State University, University Prospect 26, Stary Peterghof, St. Petersburg, 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu

    2008-06-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U{sub 2}N{sub 3} and UN{sub 2} are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U{sub 2}N{sub 3} crystals; UN{sub 2} crystal has the semiconducting nature.

  1. Electronic structure of crystalline uranium nitrides UN, U2N3 and UN2: LCAO calculations with the basis set optimization

    International Nuclear Information System (INIS)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V

    2008-01-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U 2 N 3 and UN 2 are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U 2 N 3 crystals; UN 2 crystal has the semiconducting nature

  2. Application of CTLM method combining interfacial structure characterization to investigate contact formation of silver paste metallization on crystalline silicon solar cells

    Science.gov (United States)

    Xiong, Shenghu; Yuan, Xiao; Tong, Hua; Yang, Yunxia; Liu, Cui; Ye, Xiaojun; Li, Yongsheng; Wang, Xianhao; Luo, Lan

    2018-04-01

    Circular transmission line model (CTLM) measurements were applied to study the contact formation mechanism of the silver paste metallization on n-type emitter of crystalline silicon solar cells. The electrical performance parameters ρc,Rsk , and Lt , which are related to the physical and chemical states of the multiphase materials at the interface, were extracted from the CTLM measurements, and were found to be sensitive to sintering temperature. As the temperature increased from 585 °C to 780 °C, initially the ρc value decreased rapidly, then flattened out and increased slightly. The order of resistivity magnitude was restricted by the SiNx passivation layer in the early sintering stages, and relied on the carrier tunneling probability affected by the precipitated silver crystallites or colloids, emitter doping concentration and molten glass layer. Based on the calculations that the sheet resistance underneath the electrode was reduced form 110 Ω / □ to 0.186 Ω / □ , it could be inferred that there was formation of a highly conductive layer of silver crystallites and colloids contained glass on the emitter. The transfer length Lt exhibited a U-shaped variation along with the temperature, reflecting the variation of the interfacial electrical properties. Overall, this article shows that the CTLM method can become a new powerful tool for researchers to meet the challenges of silver paste metallization innovation for manufacturing high-efficiency silicon solar cells.

  3. Plasmonic Physics of 2D Crystalline Materials

    Directory of Open Access Journals (Sweden)

    Zahra Torbatian

    2018-02-01

    Full Text Available Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS 2 and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase approximation. The many-body dielectric functions of the materials are calculated using an ab initio based model involving material-realistic physical properties. Having calculated the electron energy-loss, we calculate the collective modes of each material considering the in-phase and out-of-phase modes for bilayer structures. Furthermore, owing to many band structures and intreband transitions, we also find high-energy excitations in the systems. We explain that the material-specific dielectric function considering the polarizability of the crystalline material such as MoS 2 are needed to obtain realistic plasmon dispersions. For each material studied here, we find different collective modes and describe their physical origins.

  4. Liquid crystalline order in polymers

    CERN Document Server

    Blumstein, Alexandre

    1978-01-01

    Liquid Crystalline Order in Polymers examines the topic of liquid crystalline order in systems containing rigid synthetic macromolecular chains. Each chapter of the book provides a review of one important area of the field. Chapter 1 discusses scattering in polymer systems with liquid crystalline order. It also introduces the field of liquid crystals. Chapter 2 treats the origin of liquid crystalline order in macromolecules by describing the in-depth study of conformation of such macromolecules in their unassociated state. The chapters that follow describe successively the liquid crystalli

  5. Crystalline lens radioprotectors

    International Nuclear Information System (INIS)

    Belkacemi, Y.; Pasquier, D.; Castelain, B.; Lartigau, E.; Warnet, J.M.

    2003-01-01

    During more than a half of century, numerous compounds have been tested in different models against radiation-induced cataract. In this report, we will review the radioprotectors that have been already tested for non-human crystalline lens protection. We will focus on the most important published studies in this topic and the mechanisms of cyto-protection reported in. vitro and in. vivo from animals. The most frequent mechanisms incriminated in the cyto-protective effect are: free radical scavenging, limitation of lipid peroxidation, modulation of cycle progression increase of intracellular reduced glutathione pool, reduction of DNA strand breaks and limitation of apoptotic cell death. Arnifostine (or Ethyol) and anethole dithiolethione (or Sulfarlem), already used clinically as chemo- and radio-protectants, could be further test?r for ocular radioprotection particularly for radiation-induced cataract. (author)

  6. Groundwater in crystalline bedrock

    International Nuclear Information System (INIS)

    Palmqvist, K.

    1990-06-01

    The aim of this project was to make detailed descriptions of the geological conditions and the different kinds of leakage in some tunnels in Sweden, to be able to describe the presence of ground water in crystalline bedrock. The studies were carried out in TBM tunnels as well as in conventionally drilled and blasted tunnels. Thanks to this, it has been possible to compare the pattern and appearance of ground water leakage in TBM tunnels and in blasted tunnels. On the basis of some experiments in a TBM tunnel, it has been confirmed that a detailed mapping of leakage gives a good picture of the flow paths and their aquiferous qualities in the bedrock. The same picture is found to apply even in cautious blasted tunnels. It is shown that the ground water flow paths in crystalline bedrock are usually restricted to small channels along only small parts of the fractures. This is also true for fracture zones. It has also been found that the number of flow paths generally increases with the degree of tectonisation, up to a given point. With further tectonisation the bedrock is more or less crushed which, along with mineral alteration, leaves only a little space left for the formation of water channels. The largest individual flow paths are usually found in fracture zones. The total amount of ground water leakage per m tunnel is also greater in fracture zones than in the bedrock between the fracture zones. In mapping visible leakage, five classes have been distinguished according to size. Where possible, the individual leak inflow has been measured during the mapping process. The quantification of the leakage classes made in different tunnels are compared, and some quantification standards suggested. A comparison of leakage in different rock types, tectonic zones, fractures etc is also presented. (author)

  7. Detailed functional and structural phenotype of Bietti crystalline dystrophy associated with mutations in CYP4V2 complicated by choroidal neovascularization.

    Science.gov (United States)

    Fuerst, Nicole M; Serrano, Leona; Han, Grace; Morgan, Jessica I W; Maguire, Albert M; Leroy, Bart P; Kim, Benjamin J; Aleman, Tomas S

    2016-12-01

    To describe in detail the phenotype of a patient with Bietti crystalline dystrophy (BCD) complicated by choroidal neovascularization (CNV) and the response to intravitreal Bevacizumab (Avastin ® ; Genentech/Roche). A 34-year-old woman with BCD and mutations in CYP4V2 (c.802-8_806del13/p.H331P:c992A>C) underwent a complete ophthalmic examination, full-field flash electroretinography (ERG), kinetic and two-color dark-adapted perimetry, and dark-adaptometry. Imaging was performed with spectral domain optical coherence tomography (SD-OCT), near infrared (NIR) and short wavelength (SW) fundus autofluorescence (FAF), and fluorescein angiography (FA). Best-corrected visual acuity (BCVA) was 20/20 and 20/60 for the right and left eye, respectively. There were corneal paralimbal crystal-like deposits. Kinetic fields were normal in the peripheral extent. Retinal crystals were most obvious on NIR-reflectance and corresponded with hyperreflectivities within the RPE on SD-OCT. There was parafoveal/perifoveal hypofluorescence on SW-FAF and NIR-FAF. Rod > cone sensitivity loss surrounded fixation and extended to ~10° of eccentricity corresponding to regions of photoreceptor outer segment-retinal pigmented epithelium (RPE) interdigitation abnormalities. The outer nuclear layer was normal in thickness. Recovery of sensitivity following a ~76% rhodopsin bleach was normal. ERGs were normal. A subretinal hemorrhage in the left eye co-localized with elevation of the RPE on SD-OCT and leakage on FA, suggestive of CNV. Three monthly intravitreal injections of Bevacizumab led to restoration of BCVA to baseline (20/25). crystals in BCD were predominantly located within the RPE. Photoreceptor outer segment and apical RPE abnormalities underlie the relatively extensive retinal dysfunction observed in relatively early-stage BCD. Intravitreal Bevacizumab was effective in treating CNV in this setting.

  8. Diffraction enhanced X-ray imaging of mammals crystalline lens

    International Nuclear Information System (INIS)

    Antunes, A.; Hoennicke, M.G.; Safatle, A.M.V.; Cusatis, C.; Moraes Barros, P.S.; Morelhao, S.L.

    2005-01-01

    Crystalline lenses are transparent biological materials where the organization of the lens fibers can also be affected by changes at molecular level, and therefore the structure and morphology of the tissue can be correlated to the loss of transparency of the lens. In this work, internal structure of mammal lenses regarding the long-range ordering of the fibers are investigated by diffraction enhanced X-ray imaging (DEI) radiography. Moreover, DEI and absorption X-ray synchrotron radiographs for healthy and cataractous crystalline lenses are compared. Significant differences in healthy and cataractous crystalline lenses are observed

  9. Analysis of renewable and nonrenewable energy consumption, real GDP and CO2 emissions: A structural VAR approach in Romania

    OpenAIRE

    Shahbaz, Muhammad; Zeshan, Muhammad; Tiwari, Aviral Kumar

    2011-01-01

    Impulse responses of our structural VAR portray a positive correlation between the real GDP of Romania and energy consumption. The present study employs the annual data covering the period 1980-2008, and brings to light the factors playing important role in satisfying the energy requirements, its economic and social implications. Any short-run rise in energy requirements is contented with the help of nonrenewable energy consumption, for renewable energy is not so common in Romania. In additio...

  10. Quantitative analysis of diet structure by real-time PCR, reveals different feeding patterns by two dominant grasshopper species

    Science.gov (United States)

    Huang, Xunbing; Wu, Huihui; McNeill, Mark Richard; Qin, Xinghu; Ma, Jingchuan; Tu, Xiongbing; Cao, Guangchun; Wang, Guangjun; Nong, Xiangqun; Zhang, Zehua

    2016-01-01

    Studies on grasshopper diets have historically employed a range of methodologies, each with certain advantages and disadvantages. For example, some methodologies are qualitative instead of quantitative. Others require long experimental periods or examine population-level effects, only. In this study, we used real-time PCR to examine diets of individual grasshoppers. The method has the advantage of being both fast and quantitative. Using two grasshopper species, Oedaleus asiaticus and Dasyhippus barbipes, we designed ITS primer sequences for their three main host plants, Stipa krylovii, Leymus chinensis and Cleistogenes squarrosa and used real-time PCR method to test diet structure both qualitatively and quantitatively. The lowest detection efficiency of the three grass species was ~80% with a strong correlation between actual and PCR-measured food intake. We found that Oedaleus asiaticus maintained an unchanged diet structure across grasslands with different grass communities. By comparison, Dasyhippus barbipes changed its diet structure. These results revealed why O. asiaticus distribution is mainly confined to Stipa-dominated grassland, and D. barbipes is more widely distributed across Inner Mongolia. Overall, real-time PCR was shown to be a useful tool for investigating grasshopper diets, which in turn offers some insight into grasshopper distributions and improved pest management. PMID:27562455

  11. Algorithms for singularities and real structures of weak Del Pezzo surfaces

    KAUST Repository

    Lubbes, Niels

    2014-01-01

    . Wall, Real forms of smooth del Pezzo surfaces, J. Reine Angew. Math. 1987(375/376) (1987) 47-66, ISSN 0075-4102] of weak Del Pezzo surfaces from an algorithmic point of view. It is well-known that the singularities of weak Del Pezzo surfaces correspond

  12. Quantum theory in real Hilbert space: How the complex Hilbert space structure emerges from Poincaré symmetry

    Science.gov (United States)

    Moretti, Valter; Oppio, Marco

    As earlier conjectured by several authors and much later established by Solèr (relying on partial results by Piron, Maeda-Maeda and other authors), from the lattice theory point of view, Quantum Mechanics may be formulated in real, complex or quaternionic Hilbert spaces only. Stückelberg provided some physical, but not mathematically rigorous, reasons for ruling out the real Hilbert space formulation, assuming that any formulation should encompass a statement of Heisenberg principle. Focusing on this issue from another — in our opinion, deeper — viewpoint, we argue that there is a general fundamental reason why elementary quantum systems are not described in real Hilbert spaces. It is their basic symmetry group. In the first part of the paper, we consider an elementary relativistic system within Wigner’s approach defined as a locally-faithful irreducible strongly-continuous unitary representation of the Poincaré group in a real Hilbert space. We prove that, if the squared-mass operator is non-negative, the system admits a natural, Poincaré invariant and unique up to sign, complex structure which commutes with the whole algebra of observables generated by the representation itself. This complex structure leads to a physically equivalent reformulation of the theory in a complex Hilbert space. Within this complex formulation, differently from what happens in the real one, all selfadjoint operators represent observables in accordance with Solèr’s thesis, and the standard quantum version of Noether theorem may be formulated. In the second part of this work, we focus on the physical hypotheses adopted to define a quantum elementary relativistic system relaxing them on the one hand, and making our model physically more general on the other hand. We use a physically more accurate notion of irreducibility regarding the algebra of observables only, we describe the symmetries in terms of automorphisms of the restricted lattice of elementary propositions of the

  13. Crystalline Bioceramic Materials

    Directory of Open Access Journals (Sweden)

    de Aza, P. N.

    2005-06-01

    Full Text Available A strong interest in the use of ceramics for biomedical engineering applications developed in the late 1960´s. Used initially as alternatives to metallic materials in order to increase the biocompatibility of implants, bioceramics have become a diverse class of biomaterials, presently including three basic types: relatively bioinert ceramics; bioactive or surface reactive bioceramics and bioresorbable ceramics. This review will only refer to bioceramics “sensus stricto”, it is to say, those ceramic materials constituted for nonmetallic inorganic compounds, crystallines and consolidated by thermal treatments of powders to high temperatures. Leaving bioglasses, glass-ceramics and biocements apart, since, although all of them are obtained by thermal treatments to high temperatures, the first are amorphous, the second are obtained by desvitrification of a glass and in them vitreous phase normally prevails on the crystalline phases and the third are consolidated by means of a hydraulic or chemical reaction to room temperature. A review of the composition, physiochemical properties and biological behaviour of the principal types of crystalline bioceramics is given, based on the literature data and on the own experience of the authors.

    A finales de los años sesenta se despertó un gran interés por el uso de los materiales cerámicos para aplicaciones biomédicas. Inicialmente utilizados como una alternativa a los materiales metálicos, con el propósito de incrementar la biocompatibilidad de los implantes, las biocerámicas se han convertido en una clase diversa de biomateriales, incluyendo actualmente tres tipos: cerámicas cuasi inertes; cerámicas bioactivas o reactivas superficialmente y cerámicas reabsorbibles o biodegradables. En la presente revisión se hace referencia a las biocerámicas en sentido estricto, es decir, a aquellos materiales constitutitos por compuestos inorgánicos no metálicos, cristalinos y consolidados

  14. Crystalline Coating and Its Influence on the Water Transport in Concrete

    Directory of Open Access Journals (Sweden)

    Pavel Reiterman

    2016-01-01

    Full Text Available The presented paper deals with an experimental study of the efficiency of surface coating treatment based on secondary crystallization as an additional protection of the subsurface concrete structure loaded by moisture or ground water pressure. The aim of the experimental program was the evaluation of the depth impact of the crystalline coating and the assessment of the reliability of construction joints performed on models simulating real conditions of the concrete structure. The evolution of the secondary crystallizing process was monitored using the water absorption test carried out at different depths of the samples. The coefficient of adsorption decreased to 60% of the reference mixture for a surface layer of up to 40 mm at 28 days and to 50% at 180 days after the coating’s application. Furthermore, the electrical resistivity method was applied with respect to the nature of measurement and the low accessibility of real subsurface concrete structures. The results of moisture measurement at a depth of 180–190 mm from the surface treated with a crystalline coating showed an essential decrease in moisture content percentage in comparison with untreated specimens (measured 125 days after the coating’s application.

  15. [RehaFuturReal®: Evaluation of Implementation in Organizational Structure and in Counseling Process - An Overview of Results].

    Science.gov (United States)

    Arling, V; Knispel, J; Spijkers, W

    2016-08-01

    Due to prevailing future challenges in vocational rehabilitation, development process RehaFutur (BMAS) was initiated. In this context, recommendations were made to secure a future-oriented, innovative vocational rehabilitation in Germany. Deutsche Rentenversicherung (DRV) Westfalen transferred these recommendations into a new and applicable counseling concept RehaFutuReal(®). Rehabilitation managers (RM) are central protagonists in counseling process. Therefore, RehaFuturReal(®) focused on optimization of counseling performance. To achieve this aim, rehabilitation managers were taught to work with a case management (CM) based approach. RWTH Aachen supported RehaFuturReal(®) from an academic point of view and conducted a formative and summative evaluation. Primary aim of RWTH Aachen was to support DRV Westfalen during implementation of RehaFuturReal(®) into their organizational structure. Additionally, RWTH Aachen controlled whether transfer of RehaFutuReal(®) in counseling process was successful. From 04-01-13 until 12-31-14, RehaFuturReal(®) was tested by DRV Westfalen in the intervention district Dortmund with 10 RM. There were 3 selection criteria for the overall sample of N=320 insurants: participants were required to have an active employment status, suffered from integration issues and were in need of support to achieve vocational integration. Evaluation of RehaFuturReal(®) was realized summative (pre-post-comparison) and formative (process-orientated). Evaluative judgment regarding implementation in organizational structure and counseling process was performed by using three-stage-concept of Donabedian (quality of structure, process and results). Thereby, feedback of RM, insurants and employers was taken into account. Analysis of evaluation results revealed a positive overall impression. Implementation into organizational structure was successful on all 3 quality stages: concept of project and CM-training were an adequate basis and appropriately put

  16. Reactions and Interactions in Liquid Crystalline Media

    Science.gov (United States)

    1991-10-30

    nematic lyophases of potassium laurate, myristyl tri methylammonium bromide or sodium decylsulfate with 1-decanol and 23 water. A strong retardation of the...crystalline polyacrylate crosslinked elastomers were synthesized. 198c 0 0 96 0 0 0O-(CH12 ) 2 -0O(k 97 Crosslinking, up to 10% of structural units produced...in their isotropic state and they work as the transporting phase for the azo-crown ether molecules. The permeation of K+ from a potassium p

  17. Controlled synthesis of single-crystalline graphene

    Directory of Open Access Journals (Sweden)

    Wang Xueshen

    2014-02-01

    Full Text Available This paper reports the controlled synthesis of single-crystalline graphene on the back side of copper foil using CH4 as the precursor. The influence of growth time and the pressure ratio of CH4/H2 on the structure of graphene are examined. An optimized polymer-assisted method is used to transfer the synthesized graphene onto a SiO2/Si substrate. Scanning electron microscopy and Raman spectroscopy are used to characterize the graphene.

  18. Assessing nonlinear structures in real exchange rates using recurrence plot strategies

    Science.gov (United States)

    Belaire-Franch, Jorge; Contreras, Dulce; Tordera-Lledó, Lorena

    2002-11-01

    Purchasing power parity (PPP) is an important theory at the basis of a large number of economic models. However, the implication derived from the theory that real exchange rates must follow stationary processes is not conclusively supported by empirical studies. In a recent paper, Serletis and Gogas [Appl. Finance Econ. 10 (2000) 615] show evidence of deterministic chaos in several OECD exchange rates. As a consequence, PPP rejections could be spurious. In this work, we follow a two-stage testing procedure to test for nonlinearities and chaos in real exchange rates, using a new set of techniques designed by Webber and Zbilut [J. Appl. Physiol. 76 (1994) 965], called recurrence quantification analysis (RQA). Our conclusions differ slightly from Serletis and Gogas [Appl. Finance Econ. 10 (2000) 615], but they are also supportive of chaos for some exchange rates.

  19. Teaching Flower Structure & Floral Formulae--A Mix of the Real & Virtual Worlds

    Science.gov (United States)

    Burrows, Geoff

    2010-01-01

    The study of flower structure is essential in plant identification and in understanding sexual reproduction in plants, pollination syndromes, plant breeding, and fruit structure. Thus, study of flower structure and construction of floral formulae are standard parts of first-year university botany and biology courses. These activities involve…

  20. Visualization of drug-nucleic acid interactions at atomic resolution. VIII. Structures of two ethidium/dinucleoside monophosphate crystalline complexes containing ethidium: cytidylyl(3'-5') guanosine

    International Nuclear Information System (INIS)

    Jain, S.C.; Sobell, H.M.

    1984-01-01

    This paper describes two complexes containing ethidium and the dinucleoside monophosphate, cytidylyl(3'-5')guanosine (CpG). Both crystals are monoclinic, space group P2 1 , with unit cell dimensions as follows: modification 1: a = 13.64 A, b = 32.16 A, c = 14.93 A, β = 114.8 0 and modification 2: a = 13.79 A, b = 31.94 A, c = 15.66 A, β = 117.5 0 . Each structure has been solved to atomic resolution and refined by Fourier and least squares methods; the first has been refined to a residual of 0.187 on 1903 reflections, while the second has been refined to a residual of 0.187 on 1001 reflections. The asymmetric unit in both structures contains two ethidium molecules and two CpG molecules; the first structure has 30 water molecules (a total of 158 non-hydrogen atoms), while the second structure has 19 water molecules (a total of 147 non-hydrogen atoms). Both structures demonstrate intercalation of ethidium between base-paired CpG dimers. In addition, ethidium molecules stack on either side of the intercalated duplex, being related by a unit cell translation along the a axis. The basic feature of the sugar-phosphate chains accompanying ethidium intercalation in both structures is: C3' endo (3'-5') C2' endo. This mixed sugar-puckering pattern has been observed in all previous studies of ethidium intercalation and is a feature common to other drug-nucleic acid structural studies carried out in the authors laboratory. The authors discussed this further in this paper and in the accompanying papers

  1. Contribution to the study of electronic structure of crystalline semiconductors (Si, Ge, GaAs, Gap, ZnTe, ZnSe

    Directory of Open Access Journals (Sweden)

    Bouhafs B.

    2012-06-01

    Full Text Available The band structure of semiconductors was described by several theorists since the Fifties. The main objective of the present paper is to do a comparative study between various families of semi-conductors IV (Si,Ge, III-V (GaAs, GaP and II-VI (ZnSe, ZnTe with both methods; tight Binding1 method and pseudo potential method2. This work enables us to understand as well as the mechanism of conduction process in these semiconductors and powers and limits of the above methods. The obtained results allow to conclude that both methods are in a good agreement to describe the morphology of band structures of the cited semiconductors. This encourages us to study in the future the electronic behaviour through the structure of bands for more complex systems such as the heterostructures.

  2. Designing a porous-crystalline structure of β-Ga2O3: a potential approach to tune its opto-electronic properties.

    Science.gov (United States)

    Banerjee, Swastika; Jiang, Xiangwei; Wang, Lin-Wang

    2018-04-04

    β-Ga2O3 has drawn recent attention as a state-of-the-art electronic material due to its stability, optical transparency and appealing performance in power devices. However, it has also found a wider range of opto-electronic applications including photocatalysis, especially in its porous form. For such applications, a lower band gap must be obtained and an electron-hole spatial separation would be beneficial. Like many other metal oxides (e.g. Al2O3), Ga2O3 can also form various types of porous structure. In the present study, we investigate how its optical and electronic properties can be changed in a particular porous structure with stoichiometrically balanced and extended vacancy channels. We apply a set of first principles computational methods to investigate the formation and the structural, dynamic, and opto-electronic properties. We find that such an extended vacancy channel is mechanically stable and has relatively low formation energy. We also find that this results in a spatial separation of the electron and hole, forming a long-lived charge transfer state that has desirable characteristics for a photocatalyst. In addition, the electronic band gap reduces to the vis-region unlike the transparency in the pure β-Ga2O3 crystal. Thus, our systematic study is promising for the application of such a porous structure of β-Ga2O3 as a versatile electronic material.

  3. Neutron transmission through crystalline Fe

    International Nuclear Information System (INIS)

    Adib, M.; Habib, N.; Kilany, M.; El-Mesiry, M.S.

    2004-01-01

    The neutron transmission through crystalline Fe has been calculated for neutron energies in the range 10 4 < E<10 eV using an additive formula. The formula permits calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-section as a function of temperature and crystalline form. The obtained agreement between the calculated values and available experimental ones justifies the applicability of the used formula. A feasibility study on using poly-crystalline Fe as a cold neutron filter and a large Fe single crystal as a thermal one is given

  4. Electronic and Crystalline Structure, Magnetic Response, and Optical Characterization of Rare-Earth Ruthenate Sr2HoRuO6

    Science.gov (United States)

    Velásquez Moya, X. A.; Cardona, R.; Villa Hernández, J. I.; Landínez Téllez, D. A.; Roa-Rojas, J.

    2018-03-01

    Sr2HoRuO6 ceramic has been synthesized and its structural, morphological, magnetic, optical, and electronic properties studied. Rietveld refinement of x-ray diffraction patterns revealed that this oxide material crystallizes in monoclinic perovskite structure in space group P2 1 /n (no. 14). Scanning electron microscopy revealed polycrystalline surface morphology. x-Ray dispersive spectroscopy suggested that Sr2HoRuO6 was obtained with expected stoichiometry. Magnetic susceptibility curves as a function of temperature revealed ferrimagnetic feature of this material below the Néel temperature T N of 14 K. Evidence of magnetic disorder was provided by the irreversibility observed in the zero-field-cooled and field-cooled responses of the susceptibility below T irr = 169 K. Analysis of the diffuse reflectance spectrum suggested that this material behaves as a semiconductor with energy gap E g of 1.38 eV. Results of band structure and density-of-states calculations are in agreement with the interpretation of Sr2HoRuO6 as a semiconductor. The ferrimagnetic behavior is interpreted as due to exchange mechanisms of d-f (Ru-O-Ho) electrons. The effective magnetic moment calculated from density functional theory was 93.5% of the experimental value obtained from Curie-Weiss fitting of the susceptibility curve.

  5. Influences of metallic doping on anatase crystalline titanium dioxide: From electronic structure aspects to efficiency of TiO2-based dye sensitized solar cell (DSSC)

    International Nuclear Information System (INIS)

    Nguyen, Thuy Trang; Tran, Van Nam; Bach, Thanh Cong

    2014-01-01

    In this work, we examined the influences of metallic X dopants (X = Be, Mg, Ca, Zn, Al, W and Nb) on the electronic structure of anatase TiO 2 in the framework of density functional theory (DFT). The dopant-induced electronic structure modifications are believed to directly change the photovoltaic (PV) behaviors of the X-doped TiO 2 based DSSCs. The dopants are shown to either directly inhibit the intrinsic Ti 3+ and oxygen vacancy surface defects of TiO 2 or enhance these defects depending on their valence states. These dopant-induced defect modifications, in turn, strongly affect the PV behaviors of the DSSCs. The combined effect of electronic structure and surface-defect modifications determined the photoelectric efficiency of the device. - Highlights: • Ca, Al and W dopants strongly distort the lattice and narrowed the band gap. • Nb negatively shifts while the others positive shift the conduction band bottom. • Nb and W dopants reduce Ti 4+ to Ti 3+ without forming oxygen vacancy. • Be, Mg, Ca, Zn and Al dopants induce oxygen vacancy without Ti 3+ . • Nb and W inhibit the surface defects while the others do the reversed manner

  6. Crystallinity evaluation of polyhydroxybutyrate and polycaprolactone blends

    International Nuclear Information System (INIS)

    Cavalcante, Maxwell P.; Rodrigues, Elton Jorge R.; Tavares, Maria Ines B.

    2015-01-01

    Polyhydroxybutyrate, PHB, is a polymer obtained through bacterial or synthetic pathways. It has been used in the biomedical field as a matrix for drug delivery, medical implants and as scaffold material for tissue engineering. PHB has high structural organization, which makes it highly crystalline and brittle, making biodegradation difficult, reducing its employability. In order to enhance the mechanical and biological properties of PHB, blends with other polymers, biocompatible or not, are researched and produced. In this regard, blends of PHB and polycaprolactone, PCL, another biopolymer widely used in the biomedical industry, were obtained via solution casting and were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and low field nuclear magnetic resonance (LF-NMR). Results have shown a dependence between PHB's crystallinity index and PCL quantity employed to obtain the blends.(author)

  7. Germs of local automorphisms of real analytic CR structures and analytic dependence on the k-jets

    OpenAIRE

    ZAITSEV, DMITRI

    1997-01-01

    PUBLISHED The topic of the paper is the study of germs of local holomorphisms f between Cn and Cn ? such that f(M) #26; M? and df(TcM) = TcM? for M #26; Cn and M? #26; Cn ? generic real-analytic CR submanifolds of arbitrary codimensions. It is proved that for M minimal and M? finitely nondegenerate, such germs depend analytically on their jets. As a corollary, an analytic structure on the set of all germs of this type is obtained.

  8. Real time, high resolution studies of protein adsorption and structure at the solid-liquid interface using dual polarization interferometry

    International Nuclear Information System (INIS)

    Freeman, Neville J; Peel, Louise L; Swann, Marcus J; Cross, Graham H; Reeves, Andrew; Brand, Stuart; Lu, Jian R

    2004-01-01

    A novel method for the analysis of thin biological films, called dual polarization interferometry (DPI), is described. This high resolution (<1 A), laboratory-based technique allows the thickness and refractive index (density) of biological molecules adsorbing or reacting at the solid-liquid interface to be measured in real time (up to 10 measurements per second). Results from the adsorption of bovine serum albumin (BSA) on to a silicon oxynitride chip surface are presented to demonstrate how time dependent molecular behaviour can be examined using DPI. Mechanistic and structural information relating to the adsorption process is obtained as a function of the solution pH

  9. Fabrication and characterization of Al2O3 /Si composite nanodome structures for high efficiency crystalline Si thin film solar cells

    Directory of Open Access Journals (Sweden)

    Ruiying Zhang

    2015-12-01

    Full Text Available We report on our fabrication and characterization of Al2O3/Si composite nanodome (CND structures, which is composed of Si nanodome structures with a conformal cladding Al2O3 layer to evaluate its optical and electrical performance when it is applied to thin film solar cells. It has been observed that by application of Al2O3thin film coating using atomic layer deposition (ALD to the Si nanodome structures, both optical and electrical performances are greatly improved. The reflectivity of less than 3% over the wavelength range of from 200 nm to 2000 nm at an incident angle from 0° to 45° is achieved when the Al2O3 film is 90 nm thick. The ultimate efficiency of around 27% is obtained on the CND textured 2 μm-thick Si solar cells, which is compared to the efficiency of around 25.75% and 15% for the 2 μm-thick Si nanodome surface-decorated and planar samples respectively. Electrical characterization was made by using CND-decorated MOS devices to measure device’s leakage current and capacitance dispersion. It is found the electrical performance is sensitive to the thickness of the Al2O3 film, and the performance is remarkably improved when the dielectric layer thickness is 90 nm thick. The leakage current, which is less than 4x10−9 A/cm2 over voltage range of from -3 V to 3 V, is reduced by several orders of magnitude. C-V measurements also shows as small as 0.3% of variation in the capacitance over the frequency range from 10 kHz to 500 kHz, which is a strong indication of surface states being fully passivated. TEM examination of CND-decorated samples also reveals the occurrence of SiOx layer formed between the interface of Si and the Al2O3 film, which is thin enough that ensures the presence of field-effect passivation, From our theoretical and experimental study, we believe Al2O3 coated CND structures is a truly viable approach to achieving higher device efficiency.

  10. Fabrication and characterization of Al{sub 2}O{sub 3} /Si composite nanodome structures for high efficiency crystalline Si thin film solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ruiying, E-mail: ryzhang2008@sinano.ac.cn [Key lab of nanodevices and applications, Chinese Academy of Sciences, Division of nano-devices and related materials, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou, 215123 (China); State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 China (China); Zhu, Jian; Zhang, Zhen; Wang, Yanyan; Qiu, Bocang [Key lab of nanodevices and applications, Chinese Academy of Sciences, Division of nano-devices and related materials, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou, 215123 (China); Liu, Xuehua; Zhang, Jinping; Zhang, Yi [Platform for Characterization & Test, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou, 215123 (China); Fang, Qi; Ren, Zhong [Oxford Instruments Plasma Technology, Yatton, Bristol, BS49 4AP (United Kingdom); Bai, Yu [School of Nano-Science and Nano-Engineering, Xi’an Jiaotong University, Suzhou, 215123 (China)

    2015-12-15

    We report on our fabrication and characterization of Al{sub 2}O{sub 3}/Si composite nanodome (CND) structures, which is composed of Si nanodome structures with a conformal cladding Al{sub 2}O{sub 3} layer to evaluate its optical and electrical performance when it is applied to thin film solar cells. It has been observed that by application of Al{sub 2}O{sub 3}thin film coating using atomic layer deposition (ALD) to the Si nanodome structures, both optical and electrical performances are greatly improved. The reflectivity of less than 3% over the wavelength range of from 200 nm to 2000 nm at an incident angle from 0° to 45° is achieved when the Al{sub 2}O{sub 3} film is 90 nm thick. The ultimate efficiency of around 27% is obtained on the CND textured 2 μm-thick Si solar cells, which is compared to the efficiency of around 25.75% and 15% for the 2 μm-thick Si nanodome surface-decorated and planar samples respectively. Electrical characterization was made by using CND-decorated MOS devices to measure device’s leakage current and capacitance dispersion. It is found the electrical performance is sensitive to the thickness of the Al{sub 2}O{sub 3} film, and the performance is remarkably improved when the dielectric layer thickness is 90 nm thick. The leakage current, which is less than 4x10{sup −9} A/cm{sup 2} over voltage range of from -3 V to 3 V, is reduced by several orders of magnitude. C-V measurements also shows as small as 0.3% of variation in the capacitance over the frequency range from 10 kHz to 500 kHz, which is a strong indication of surface states being fully passivated. TEM examination of CND-decorated samples also reveals the occurrence of SiO{sub x} layer formed between the interface of Si and the Al{sub 2}O{sub 3} film, which is thin enough that ensures the presence of field-effect passivation, From our theoretical and experimental study, we believe Al{sub 2}O{sub 3} coated CND structures is a truly viable approach to achieving higher device

  11. Micromachined silicon acoustic delay line with improved structural stability and acoustic directivity for real-time photoacoustic tomography

    Science.gov (United States)

    Cho, Young; Kumar, Akhil; Xu, Song; Zou, Jun

    2017-03-01

    Recent studies have shown that micromachined silicon acoustic delay lines can provide a promising solution to achieve real-time photoacoustic tomography without the need for complex transducer arrays and data acquisition electronics. However, as its length increases to provide longer delay time, the delay line becomes more vulnerable to structural instability due to reduced mechanical stiffness. In addition, the small cross-section area of the delay line results in a large acoustic acceptance angle and therefore poor directivity. To address these two issues, this paper reports the design, fabrication, and testing of a new silicon acoustic delay line enhanced with 3D printed polymer micro linker structures. First, mechanical deformation of the silicon acoustic delay line (with and without linker structures) under gravity was simulated by using finite element method. Second, the acoustic crosstalk and acoustic attenuation caused by the polymer micro linker structures were evaluated with both numerical simulation and ultrasound transmission testing. The result shows that the use of the polymer micro linker structures significantly improves the structural stability of the silicon acoustic delay lines without creating additional acoustic attenuation and crosstalk. In addition, a new tapered design for the input terminal of the delay line was also investigate to improve its acoustic directivity by reducing the acoustic acceptance angle. These two improvements are expected to provide an effective solution to eliminate current limitations on the achievable acoustic delay time and out-of-plane imaging resolution of micromachined silicon acoustic delay line arrays.

  12. The Interplay between Real Money Trade and Narrative Structure in Massively Multiplayer Online Role-Playing Games

    Directory of Open Access Journals (Sweden)

    Byungchul Park

    2017-01-01

    Full Text Available A narrative structure is one of the main components to constitute the genre of Massively Multiplayer Online Role-Playing Games (MMORPGs. Meanwhile Real Money Trade (RMT enables a player to adjust an ex post level of challenge by skipping the narrative structure of a game. However, RMT may concurrently disturb a player who enjoys game following the narrative structure hierarchically. In pursuance of developing the knowledge about the relationship between RMT and the usage of MMORPG, we investigate the role of the strictness of predetermined narrative structure. We present the dual structure of societies to describe a player that arbitrarily decides to reside in a virtual society. Then we adopt the social nominalism to explain how individual motif of playing a game is expanded to the nature of game. Finally, we argue that a game with weakly predetermined narrative structure is more positively associated with RMT volume, since these games arouse a player’s sentiment of fun by relying more on their socially oriented motivation. With empirical evidence from the Korean MMORPGs market, we proved the hypothesis.

  13. Crystalline Repository Project. Technical progress report, October 1982-March 1983

    International Nuclear Information System (INIS)

    1985-01-01

    This document reports the progress being made periodically on the development of a geologic repository in crystalline rock for the permanent disposal of high-level nuclear waste. The reporting elements are arranged by the work breakdown structure so that related studies are presented together. The studies are reported by the Office of Crystalline Respository Development (OCRD), a prime contractor of the US Department of Energy Repository Project Office. The studies include work by other prime contractors and by subcontractors to OCRD

  14. Real-Time X-Ray Inspection of Composite Aircraft Structures

    National Research Council Canada - National Science Library

    Patricelli, F

    1978-01-01

    ...) for detection of defects, damage, and repair verification. The program included inspection of composite aircraft structural samples in the laboratory and an on site demonstration of RTR at the Naval Air Rework Facility (NARF...

  15. Real-Time Probabilistic Structural Health Management Using Machine Learning and GPU Computing Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed project seeks to deliver an ultra-efficient, high-fidelity structural health management (SHM) framework using machine learning and graphics processing...

  16. Real structure of LaGaO3 monocrystals grown by Czochralski method

    International Nuclear Information System (INIS)

    Morozov, A.N.; Morozova, O.Yu.; Ponomarev, N.M.

    1993-01-01

    A complex X-ray diffraction study of lanthanum (ortho)gallate crystal structure and structural defects in LaGaO 3 crystals grown by the Czochralski method is carried out. Coordinates of atoms in LaGaO 3 unit cell are determined. X-Ray topographic studies of oriented LaGaO 3 sublayers for high-tc superconductor film growth are optimized. The substructure of monocrystals is studied

  17. Investigation of the Influence of PLA Molecular Structure on the Crystalline Forms (α’ and α and Mechanical Properties of Wet Spinning Fibres

    Directory of Open Access Journals (Sweden)

    Michał Puchalski

    2017-01-01

    Full Text Available In this paper, the influence of the molecular structure of polylactide (PLA—characterised by its molar mass and content of d-lactide isomer—on the molecular ordering and α’–α form transition during fibre manufacturing by the wet spinning method is described. Fibres were studied by wide-angle X-ray diffraction (WAXD and differential scanning calorimetry (DSC. Additionally, the physical and mechanical properties of the fibres were determined. This study also examines the preliminary molecular ordering and crystallisation of PLA fibres at various draw ratios. The performed experiments clearly show the dependence of the molecular ordering of PLA on the molar mass and d-lactide content during the wet spinning process. The fibres manufactured from PLA with the lowest content of d-lactide and the lowest molar mass were characterised by a higher tendency for crystallisation and a higher possibility to undergo the disorder-to-order phase transition (α’ to α form. The structural changes in PLA explain the observed changes in the physical and mechanical properties of the obtained fibres.

  18. Feasibility Study of the Electromagnetic Damper for Cable Structures Using Real-Time Hybrid Simulation.

    Science.gov (United States)

    Jung, Ho-Yeon; Kim, In-Ho; Jung, Hyung-Jo

    2017-10-31

    Cable structure is a major component of long-span bridges, such as cable-stayed and suspension bridges, and it transfers the main loads of bridges to the pylons. As these cable structures are exposed to continuous external loads, such as vehicle and wind loads, vibration control and continuous monitoring of the cable are required. In this study, an electromagnetic (EM) damper was designed and fabricated for vibration control and monitoring of the cable structure. EM dampers, also called regenerative dampers, consist of permanent magnets and coils. The electromagnetic force due to the relative motion between the coil and the permanent magnet can be used to control the vibration of the structure. The electrical energy can be used as a power source for the monitoring system. The effects of the design parameters of the damper were numerically analyzed and the damper was fabricated. The characteristics of the damper were analyzed with various external load changes. Finally, the vibration-control and energy-harvesting performances of the cable structure were evaluated through a hybrid simulation. The vibration-control and energy-harvesting performances for various loads were analyzed and the applicability to the cable structure of the EM damper was evaluated.

  19. Real time sensing of structural glass fiber reinforced composites by using embedded PVA - carbon nanotube fibers

    Directory of Open Access Journals (Sweden)

    Marioli-Riga Z.

    2010-06-01

    Full Text Available Polyvinyl alcohol - carbon nanotube (PVA-CNT fibers had been embedded to glass fiber reinforced polymers (GFRP for the structural health monitoring of the composite material. The addition of the conductive PVA-CNT fiber to the nonconductive GFRP material aimed to enhance its sensing ability by means of the electrical resistance measurement method. The test specimen’s response to mechanical load and the in situ PVA-CNT fiber’s electrical resistance measurements were correlated for sensing and damage monitoring purposes. The embedded PVA-CNT fiber worked as a sensor in GFRP coupons in tensile loadings. Sensing ability of the PVA-CNT fibers was also demonstrated on an integral composite structure. PVA-CNT fiber near the fracture area of the structure recorded very high values when essential damage occurred to the structure. A finite element model of the same structure was developed to predict axial strains at locations of the integral composite structure where the fibers were embedded. The predicted FEA strains were correlated with the experimental measurements from the PVA-CNT fibers. Calculated and experimental values were in good agreement, thus enabling PVA-CNT fibers to be used as strain sensors.

  20. Feasibility Study of the Electromagnetic Damper for Cable Structures Using Real-Time Hybrid Simulation

    Directory of Open Access Journals (Sweden)

    Ho-Yeon Jung

    2017-10-01

    Full Text Available Cable structure is a major component of long-span bridges, such as cable-stayed and suspension bridges, and it transfers the main loads of bridges to the pylons. As these cable structures are exposed to continuous external loads, such as vehicle and wind loads, vibration control and continuous monitoring of the cable are required. In this study, an electromagnetic (EM damper was designed and fabricated for vibration control and monitoring of the cable structure. EM dampers, also called regenerative dampers, consist of permanent magnets and coils. The electromagnetic force due to the relative motion between the coil and the permanent magnet can be used to control the vibration of the structure. The electrical energy can be used as a power source for the monitoring system. The effects of the design parameters of the damper were numerically analyzed and the damper was fabricated. The characteristics of the damper were analyzed with various external load changes. Finally, the vibration-control and energy-harvesting performances of the cable structure were evaluated through a hybrid simulation. The vibration-control and energy-harvesting performances for various loads were analyzed and the applicability to the cable structure of the EM damper was evaluated.

  1. Prediction of RNA secondary structures: from theory to models and real molecules

    International Nuclear Information System (INIS)

    Schuster, Peter

    2006-01-01

    RNA secondary structures are derived from RNA sequences, which are strings built form the natural four letter nucleotide alphabet, {AUGC}. These coarse-grained structures, in turn, are tantamount to constrained strings over a three letter alphabet. Hence, the secondary structures are discrete objects and the number of sequences always exceeds the number of structures. The sequences built from two letter alphabets form perfect structures when the nucleotides can form a base pair, as is the case with {GC} or {AU}, but the relation between the sequences and structures differs strongly from the four letter alphabet. A comprehensive theory of RNA structure is presented, which is based on the concepts of sequence space and shape space, being a space of structures. It sets the stage for modelling processes in ensembles of RNA molecules like evolutionary optimization or kinetic folding as dynamical phenomena guided by mappings between the two spaces. The number of minimum free energy (mfe) structures is always smaller than the number of sequences, even for two letter alphabets. Folding of RNA molecules into mfe energy structures constitutes a non-invertible mapping from sequence space onto shape space. The preimage of a structure in sequence space is defined as its neutral network. Similarly the set of suboptimal structures is the preimage of a sequence in shape space. This set represents the conformation space of a given sequence. The evolutionary optimization of structures in populations is a process taking place in sequence space, whereas kinetic folding occurs in molecular ensembles that optimize free energy in conformation space. Efficient folding algorithms based on dynamic programming are available for the prediction of secondary structures for given sequences. The inverse problem, the computation of sequences for predefined structures, is an important tool for the design of RNA molecules with tailored properties. Simultaneous folding or cofolding of two or more RNA

  2. Circuit design techniques for non-crystalline semiconductors

    CERN Document Server

    Sambandan, Sanjiv

    2012-01-01

    Despite significant progress in materials and fabrication technologies related to non-crystalline semiconductors, fundamental drawbacks continue to limit real-world application of these devices in electronic circuits. To help readers deal with problems such as low mobility and intrinsic time variant behavior, Circuit Design Techniques for Non-Crystalline Semiconductors outlines a systematic design approach, including circuit theory, enabling users to synthesize circuits without worrying about the details of device physics. This book: Offers examples of how self-assembly can be used as a powerf

  3. A structurally diverse library of safe-by-design citrem-phospholipid lamellar and non-lamellar liquid crystalline nano-assemblies

    DEFF Research Database (Denmark)

    Mat Azmi, Intan Diana Binti; Wibroe, Peter Popp; Wu, Lin-Ping

    2016-01-01

    ). This engineered library is structurally stable in human plasma as well as being hemocompatible (non-hemolytic, and poor activator of the complement system). By varying citrem to lipid weight ratio, the nanodispersion susceptibility to macrophage uptake could also be modulated. Finally, the formation...... their applications in intravenous drug delivery and targeting. Using a binary mixture of citrem and soy phosphatidylcholine (SPC) at different weight ratios, we describe a library of colloidally stable aqueous and hemocompatible nanodispersions of diverse nanoarchitectures (internal self-assembled nanostructures...... of nanodispersions comprising internally V2 (inverse bicontinuous cubic) and H2 (inverse hexagonal) nanoarchitectures was achieved without the use of an organic solvent, a secondary emulsifier, or high-energy input. The tunable binary citrem/SPC nanoplatform holds promise for future development of hemocompatible...

  4. Structure and characteristics of an endo-beta-1,4-glucanase, isolated from Trametes hirsuta, with high degradation to crystalline cellulose.

    Science.gov (United States)

    Nozaki, Kouichi; Seki, Takahiro; Matsui, Keiko; Mizuno, Masahiro; Kanda, Takahisa; Amano, Yoshihiko

    2007-10-01

    Trametes hirsuta produced cellulose-degrading enzymes when it was grown in a cellulosic medium such as Avicel or wheat bran. An endo-beta-1,4-glucanase (ThEG) was purified from the culture filtrate, and the gene and the cDNA were isolated. The gene consisted of an open reading frame encoding 384 amino acids, interrupted by 11 introns. The whole sequence showed high homology with that of family 5 glycoside hydrolase. The properties of the recombinant enzyme (rEG) in Aspergillus oryzae were compared with those of the En-1 from Irpex lacteus, which showed the highest homology among all the endoglucanases reported. The rEG activity against Avicel was about 8 times higher than that of En-1 when based on CMC degradation. A remarkable structural difference between the two enzymes was the length of the linker connecting the cellulose-binding domain to the catalytic domain.

  5. An Investigation of Structural and Electrical Properties of Nano Crystalline SnO2:Cu Thin Films Deposited by Spray Pyrolysis

    Directory of Open Access Journals (Sweden)

    J. Podder

    2011-11-01

    Full Text Available Pure tin oxide (SnO2 and Cu doped SnO2 thin films have been deposited onto glass substrates by a simple spray pyrolysis technique under atmospheric pressure at temperature 350 °C. The doping concentration of Cu was varied from 1 to 8 wt. % while all other deposition parameters such as spray rate, carrier air gas pressure, deposition time, and distance between spray nozzle to substrate were kept constant. Surface morphology of the as-deposited thin films has been studied by Scanning Electron Microscopy (SEM. The SEM micrograph of the films shows uniform deposition. The structural properties of the as-deposited and annealed thin films have been studied by XRD and the electrical characterization was performed by Van-der Pauw method. The as-deposited films are found polycrystalline in nature with tetragonal crystal structure. Average grain sizes of pure and Cu doped SnO2 thin film have been obtained in the range of 7.2445 Å to 6.0699 Å, which indicates the nanometric size of SnO2 grains developed in the film. The resistivity of SnO2 films was found to decrease initially from 4.5095×10−4 Ωm to 1.1395× 10−4 Ωm for concentration of Cu up to 4 % but it was increased further with increasing of Cu concentrations. The experimental results depict the suitability of this material for using as transparent and conducting window materials in solar cells and gas sensors.

  6. Crystalline structure of the manganites solid solution RE(Me,MnO3, (RE=Gd,Er; Me=Ni,Co

    Directory of Open Access Journals (Sweden)

    Peña, O.

    2009-08-01

    Full Text Available The structural properties of the manganites solid solution RE(Me,MnO3, RE=Er,Gd, have been studied by X-ray diffraction and electric measurements. Powders were prepared by solid state reaction between the component oxides. Incorporation of Ni2+ or Co2+ on the lattice in the Mn sites leads to changes in the parameters and symmetry of the perovskite or hexagonal compounds GdMnO3 and ErMnO3 respectively. The phase transitions depend on the amount of substituted Jahn-Teller Mn3+ cations, and, therefore, of the cooperative Jahn-Teller interaction weakness. Solid solutions based on GdMnO3 perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn3+ cation amount decreases, because of the progressive substitution for Ni, Co. This transition occurs for lower amount of Ni2+ than for Co2+ cation. The Er-based solid solutions showed a different behaviour. For Ni2+ and Co2+ incorporation there are changes from hexagonal ErMnO3-type lattice to perovskite-type symmetry, for 20 at% and 30 at% respectively of substituting cations. The resultant perovskites crystallised directly in the O-type orthorhombic perovskite structure. The steric influence seems to play a secondary role, such as it can be deduced of the small variation of the Goldschmidt tolerance factor, t, for perovskite structure.

    Las propiedades estructurales de las soluciones sólidas RE(Me,MnO3, RE=Gd,Er, Me=Ni,Co, han sido estudiadas por difracción de rayos X, (DRX y medidas eléctricas. Las fases se sintetizaron por reacción en estado sólido entre los óxidos componentes. La incorporación de los cationes Ni2+ y Co2+,3+ en la red en lugar de Mn lleva a cambios en los parámetros de red y en la simetría de la perovskita, GdMnO3 o del compuesto hexagonal Er

  7. Thermodynamic and real-space structural evidence of a 2D critical point in phospholipid monolayers

    DEFF Research Database (Denmark)

    Nielsen, Lars K.; Bjørnholm, Thomas; Mouritsen, Ole G.

    2007-01-01

    The two-dimensional phase diagram of phospholipid monolayers at air-water interfaces has been constructed from Langmuir compression isotherms. The coexistence region between the solid and fluid phases of the monolayer ends at the critical temperature of the transition. The small-scale lateral...... structure of the monolayers has been imaged by atomic force microscopy in the nm to mu m range at distinct points in the phase diagram. The lateral structure is immobilized by transferring the monolayer from an air-water interface to a solid mica support using Langmuir-Blodgett techniques. A transfer...

  8. FY 1997 report on the study on the formation condition of hetero-structure of single-crystalline semiconductor thin films; 1997 nendo chosa hokokusho (tankessho no handotai usumaku hetero kozo no keisei joken ni kansuru kenkyu)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-03-01

    Since ion implantation causes material degradation by formation of crystalline defects, and hydrogen embrittlement deteriorates material strength, reduction of such defects has been positively studied. Study was made on a new active application of hydrogen separation into ion implantation defects. After H ion implantation of a proper depth into single-crystalline Si and SiC and successive annealing, single-crystalline films of sub-micron to several micron thick were obtained by hydrogen-induced delamination at the implantation depth due to hydrogen embrittlement in crystalline defects. The implantation depth is dependent on implantation energy. H atom forms (111) face defect through connection with dangling bond of crystalline defects. This crystal face defect forms a delamination plane through (100) face cleavage. This hydrogen embrittlement delamination by ion implantation is applicable to production of light-weight high-efficiency single-crystalline Si solar cells, and large single-crystalline SiC wafers as new resource saving process. 33 refs., 19 figs., 2 tabs.

  9. Structure and dynamics of colloidal hard spheres in real-space

    NARCIS (Netherlands)

    Dullens, Roel P.A.

    2005-01-01

    This thesis deals with various aspects of the structure and dynamics of colloidal hard spheres. A general introduction on colloids as experimental realization of hard spheres is presented in Chapter 1. The basic principles of confocal microscopy, the main technique used in this thesis, as well as

  10. The strength of crystalline color superconductors

    International Nuclear Information System (INIS)

    Mannarelli, Massimo; Rajagopal, Krishna; Sharma, Rishi

    2007-01-01

    We present a study of the shear modulus of the crystalline color superconducting phase of quark matter, showing that this phase of dense, but not asymptotically dense, quark matter responds to shear stress as a very rigid solid. This phase is characterized by a gap parameter Δ that is periodically modulated in space and therefore spontaneously breaks translational invariance. We derive the effective action for the phonon fields that describe space- and time-dependent fluctuations of the crystal structure formed by Δ, and obtain the shear modulus from the coefficients of the spatial derivative terms. Within a Ginzburg-Landau approximation, we find shear moduli which are 20 to 1000 times larger than those of neutron star crusts. This phase of matter is thus more rigid than any known material in the universe, but at the same time the crystalline color superconducting phase is also superfluid. These properties raise the possibility that the presence of this phase within neutron stars may have distinct implications for their phenomenology. For example (some) pulsar glitches may originate in crystalline superconducting neutron star cores

  11. Mesomorphous versus traces of crystallinity: The itraconazole example

    Energy Technology Data Exchange (ETDEWEB)

    Atassi, Faraj, E-mail: fatassi@yahoo.com; Behme, Robert J.; Patel, Phenil J.

    2013-12-20

    Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level.

  12. Mesomorphous versus traces of crystallinity: The itraconazole example

    International Nuclear Information System (INIS)

    Atassi, Faraj; Behme, Robert J.; Patel, Phenil J.

    2013-01-01

    Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level

  13. neutron transmission through crystalline materials

    International Nuclear Information System (INIS)

    El Mesiry, M.S.

    2011-01-01

    The aim of the present work is to study the neutron transmission through crystalline materials. Therefore a study of pyrolytic graphite (PG) as a highly efficient selective thermal neutron filter and Iron single crystal as a whole one, as well as the applicability of using their polycrystalline powders as a selective cold neutron filters is given. Moreover, the use of PG and iron single crystal as an efficient neutron monochromator is also investigated. An additive formula is given which allows calculating the contribution of the total neutron cross-section including the Bragg scattering from different )(hkl planes to the neutron transmission through crystalline iron and graphite. The formula takes into account their crystalline form. A computer CFe program was developed in order to provide the required calculations for both poly- and single-crystalline iron. The validity of the CFe program was approved from the comparison of the calculated iron cross-section data with the available experimental ones. The CFe program was also adapted to calculate the reflectivity from iron single crystal when it used as a neutron monochromator The computer package GRAPHITE, developed in Neutron Physics laboratory, Nuclear Research Center, has been used in order to provide the required calculations for crystalline graphite in the neutron energy range from 0.1 meV to 10 eV. A Mono-PG code was added to the computer package GRAPHITE in order to calculate the reflectivity from PG crystal when it used as a neutron monochromator.

  14. Diverse topics in crystalline beams

    International Nuclear Information System (INIS)

    Wei, Jie; Draeseke, A.; Sessler, A.M.; Li, Xiao-Ping

    1995-01-01

    Equations of motion are presented, appropriate to interacting charged particles of diverse charge and mass, subject to the external forces produced by various kinds of magnetic fields and radio-frequency (rf) electric fields in storage rings. These equations are employed in the molecular dynamics simulations to study the properties of crystalline beams. The two necessary conditions for the formation and maintenance of crystalline beams are summarized. The transition from ID to 2D, and from 2D to 3D is explored, and the scaling behavior of the heating rates is discussed especially in the high temperature limit. The effectiveness of various cooling techniques in achieving crystalline states has been investigated. Crystalline beams made of two different species of ions via sympathetic cooling are presented, as well as circulating ''crystal balls'' bunched in all directions by magnetic focusing and rf field. By numerically reconstructing the original experimental conditions of the NAP-M ring, it is found that only at extremely low beam intensities, outside of the range of the original measurement, proton particles can form occasionally-passing disks. The proposed New ASTRID ring is shown to be suitable for the formation and maintenance of crystalline beams of all dimensions

  15. Exciting imperfection. Real-structure effects in magnesium-, cadmium-, and zinc-oxide

    Energy Technology Data Exchange (ETDEWEB)

    Schleife, Andre

    2010-07-01

    We employ recent ab-initio methods and theoretical spectroscopy techniques that rely on heavy numerical calculations to describe electronic excitations in non-ideal crystals of three group-II oxides. We study the ideal equilibrium polymorphs of these oxides, for gaining a thorough understanding as well as the necessary confidence in our approaches to generalize and apply them to the electronic excitations in imperfect crystals. As such imperfections we take the influence of strain, the alloying of the different oxides, an intrinsic point defect, and free electrons in the lowest conduction band into account. We employ the DFT results as input in order to compute quasiparticle electronic structures, which are in good agreement with experimental findings. According to Hedin's equations for interacting electrons, the electron-hole interaction is taken into account by solving a Bethe-Salpeter equation for the polarization function. Thereafter the equilibrium polymorphs of ideal bulk MgO, ZnO, and CdO and investigates the structure of their valence and conduction bands are described. We present densities of states and effective masses, as well as natural band discontinuities. Furthermore, our description of the dielectric function, which takes excitonic effects into account, enables us to derive the electron-energy loss function. The influence of uniaxial and biaxial strain on the ordering of the valence bands in ZnO is investigated. In addition, we explore the electronic band structure of the non-equilibrium wurtzite structures of MgO and CdO. We predict valence-band splittings and band gaps as they might occur at interfaces of Mgo or CdO with ZnO substrates. Thereafter we study pseudobinary alloys by means of a cluster expansion method. Due to the different crystal structures of the respective oxides, i.e. rocksalt and wurtzite, the description of their heterostructural combination has to be achieved. The electronic and optical properties of the group-II oxide

  16. Exciting imperfection. Real-structure effects in magnesium-, cadmium-, and zinc-oxide

    International Nuclear Information System (INIS)

    Schleife, Andre

    2010-01-01

    We employ recent ab-initio methods and theoretical spectroscopy techniques that rely on heavy numerical calculations to describe electronic excitations in non-ideal crystals of three group-II oxides. We study the ideal equilibrium polymorphs of these oxides, for gaining a thorough understanding as well as the necessary confidence in our approaches to generalize and apply them to the electronic excitations in imperfect crystals. As such imperfections we take the influence of strain, the alloying of the different oxides, an intrinsic point defect, and free electrons in the lowest conduction band into account. We employ the DFT results as input in order to compute quasiparticle electronic structures, which are in good agreement with experimental findings. According to Hedin's equations for interacting electrons, the electron-hole interaction is taken into account by solving a Bethe-Salpeter equation for the polarization function. Thereafter the equilibrium polymorphs of ideal bulk MgO, ZnO, and CdO and investigates the structure of their valence and conduction bands are described. We present densities of states and effective masses, as well as natural band discontinuities. Furthermore, our description of the dielectric function, which takes excitonic effects into account, enables us to derive the electron-energy loss function. The influence of uniaxial and biaxial strain on the ordering of the valence bands in ZnO is investigated. In addition, we explore the electronic band structure of the non-equilibrium wurtzite structures of MgO and CdO. We predict valence-band splittings and band gaps as they might occur at interfaces of Mgo or CdO with ZnO substrates. Thereafter we study pseudobinary alloys by means of a cluster expansion method. Due to the different crystal structures of the respective oxides, i.e. rocksalt and wurtzite, the description of their heterostructural combination has to be achieved. The electronic and optical properties of the group-II oxide alloys

  17. Community structure in real-world networks from a non-parametrical synchronization-based dynamical approach

    International Nuclear Information System (INIS)

    Moujahid, Abdelmalik; D’Anjou, Alicia; Cases, Blanca

    2012-01-01

    Highlights: ► A synchronization-based algorithm for community structure detection is proposed. ► We model a complex network based on coupled nonidentical chaotic Rössler oscillators. ► The interaction scheme contemplates an uniformly increasing coupling force. ► The frequencies of oscillators are adapted according to a parameterless mechanism. ► The adaptation mechanism reveals the community structure present in the network. - Abstract: This work analyzes the problem of community structure in real-world networks based on the synchronization of nonidentical coupled chaotic Rössler oscillators each one characterized by a defined natural frequency, and coupled according to a predefined network topology. The interaction scheme contemplates an uniformly increasing coupling force to simulate a society in which the association between the agents grows in time. To enhance the stability of the correlated states that could emerge from the synchronization process, we propose a parameterless mechanism that adapts the characteristic frequencies of coupled oscillators according to a dynamic connectivity matrix deduced from correlated data. We show that the characteristic frequency vector that results from the adaptation mechanism reveals the underlying community structure present in the network.

  18. Electrical transport in crystalline phase change materials

    International Nuclear Information System (INIS)

    Woda, Michael

    2012-01-01

    In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge 2 Sb 2 Te 5 . The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

  19. Electrical transport in crystalline phase change materials

    Energy Technology Data Exchange (ETDEWEB)

    Woda, Michael

    2012-01-06

    In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge{sub 2}Sb{sub 2}Te{sub 5}. The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

  20. Smart Winery: A Real-Time Monitoring System for Structural Health and Ullage in Fino Style Wine Casks.

    Science.gov (United States)

    Cañete, Eduardo; Chen, Jaime; Martín, Cristian; Rubio, Bartolomé

    2018-03-07

    The rapid development in low-cost sensor and wireless communication technology has made it possible for a large number of devices to coexist and exchange information autonomously. It has been predicted that a substantial number of devices will be able to exchange and provide information about an environment with the goal of improving our lives, under the well-known paradigm of the Internet of Things (IoT). One of the main applications of these kinds of devices is the monitoring of scenarios. In order to improve the current wine elaboration process, this paper presents a real-time monitoring system to supervise the status of wine casks. We have focused on a special kind of white wine, called Fino, principally produced in Andalusia (Southern Spain). The process by which this kind of wind is monitored is completely different from that of red wine, as the casks are not completely full and, due to the fact that they are not renewed very often, are more prone to breakage. A smart cork prototype monitors the structural health, the ullage, and the level of light inside the cask and the room temperature. The advantage of this smart cork is that it allows winemakers to monitor, in real time, the status of each wine cask so that, if an issue is detected (e.g., a crack appears in the cask), they can act immediately to resolve it. Moreover, abnormal parameters or incorrect environmental conditions can be detected in time before the wine loses its desired qualities. The system has been tested in "Bodegas San Acacio," a winery based in Montemayor, a town in the north of Andalusia. Results show that the use of such a system can provide a solution that tracks the evolution and assesses the suitability of the delicate wine elaboration process in real time, which is especially important for the kind of wine considered in this paper.

  1. Sandwich node architecture for agile wireless sensor networks for real-time structural health monitoring applications

    Science.gov (United States)

    Wang, Zi; Pakzad, Shamim; Cheng, Liang

    2012-04-01

    In recent years, wireless sensor network (WSN), as a powerful tool, has been widely applied to structural health monitoring (SHM) due to its low cost of deployment. Several commercial hardware platforms of wireless sensor networks (WSN) have been developed and used for structural monitoring applications [1,2]. A typical design of a node includes a sensor board and a mote connected to it. Sensing units, analog filters and analog-to-digital converters (ADCs) are integrated on the sensor board and the mote consists of a microcontroller and a wireless transceiver. Generally, there are a set of sensor boards compatible with the same model of mote and the selection of the sensor board depends on the specific applications. A WSN system based on this node lacks the capability of interrupting its scheduled task to start a higher priority task. This shortcoming is rooted in the hardware architecture of the node. The proposed sandwich-node architecture is designed to remedy the shortcomings of the existing one for task preemption. A sandwich node is composed of a sensor board and two motes. The first mote is dedicated to managing the sensor board and processing acquired data. The second mote controls the first mote via commands. A prototype has been implemented using Imote2 and verified by an emulation in which one mote is triggered by a remote base station and then preempts the running task at the other mote for handling an emergency event.

  2. Relation between financial market structure and the real economy: comparison between clustering methods.

    Science.gov (United States)

    Musmeci, Nicoló; Aste, Tomaso; Di Matteo, T

    2015-01-01

    We quantify the amount of information filtered by different hierarchical clustering methods on correlations between stock returns comparing the clustering structure with the underlying industrial activity classification. We apply, for the first time to financial data, a novel hierarchical clustering approach, the Directed Bubble Hierarchical Tree and we compare it with other methods including the Linkage and k-medoids. By taking the industrial sector classification of stocks as a benchmark partition, we evaluate how the different methods retrieve this classification. The results show that the Directed Bubble Hierarchical Tree can outperform other methods, being able to retrieve more information with fewer clusters. Moreover,we show that the economic information is hidden at different levels of the hierarchical structures depending on the clustering method. The dynamical analysis on a rolling window also reveals that the different methods show different degrees of sensitivity to events affecting financial markets, like crises. These results can be of interest for all the applications of clustering methods to portfolio optimization and risk hedging [corrected].

  3. Relation between financial market structure and the real economy: comparison between clustering methods.

    Directory of Open Access Journals (Sweden)

    Nicoló Musmeci

    Full Text Available We quantify the amount of information filtered by different hierarchical clustering methods on correlations between stock returns comparing the clustering structure with the underlying industrial activity classification. We apply, for the first time to financial data, a novel hierarchical clustering approach, the Directed Bubble Hierarchical Tree and we compare it with other methods including the Linkage and k-medoids. By taking the industrial sector classification of stocks as a benchmark partition, we evaluate how the different methods retrieve this classification. The results show that the Directed Bubble Hierarchical Tree can outperform other methods, being able to retrieve more information with fewer clusters. Moreover,we show that the economic information is hidden at different levels of the hierarchical structures depending on the clustering method. The dynamical analysis on a rolling window also reveals that the different methods show different degrees of sensitivity to events affecting financial markets, like crises. These results can be of interest for all the applications of clustering methods to portfolio optimization and risk hedging [corrected].

  4. Predicting complex syntactic structure in real time: Processing of negative sentences in Russian.

    Science.gov (United States)

    Kazanina, Nina

    2017-11-01

    In Russian negative sentences the verb's direct object may appear either in the accusative case, which is licensed by the verb (as is common cross-linguistically), or in the genitive case, which is licensed by the negation (Russian-specific "genitive-of-negation" phenomenon). Such sentences were used to investigate whether case marking is employed for anticipating syntactic structure, and whether lexical heads other than the verb can be predicted on the basis of a case-marked noun phrase. Experiment 1, a completion task, confirmed that genitive-of-negation is part of Russian speakers' active grammatical repertoire. In Experiments 2 and 3, the genitive/accusative case manipulation on the preverbal object led to shorter reading times at the negation and verb in the genitive versus accusative condition. Furthermore, Experiment 3 manipulated linear order of the direct object and the negated verb in order to distinguish whether the abovementioned facilitatory effect was predictive or integrative in nature, and concluded that the parser actively predicts a verb and (otherwise optional) negation on the basis of a preceding genitive-marked object. Similarly to a head-final language, case-marking information on preverbal noun phrases (NPs) is used by the parser to enable incremental structure building in a free-word-order language such as Russian.

  5. Study of lipoproteins and arterial intima interaction based on arterial endothelial cells real geometrical structure

    Science.gov (United States)

    Glukhova, O. E.; Kirillova, I. V.; Maslyakova, G. N.; Kossovich, E. L.; Zayarsky, D. A.; Fadeev, A. A.

    2013-02-01

    An original methodology is developed for scanning of the arterial intima morphology using the atomic force microscopy. The probing nanolaboratory NTEGRASpectra (NT-MDT, Russia) was itilized. The pictures of the coronary artery intima topology were obtained with the resolution of 1 nm. The 3D model of the `endothelial cell surface - low density lipoprotein (LDL)' complex was constructed. Using the ANSYS software, the deformation of LDL particle was found as well as the stress distribution at the moment of the macromolecule and endothelial surface collision. The largest normal and tangential stresses are found in the area of LDL interaction with the surface. These stresses are 2.173 and 0.053 kPa, respectively. It was shown that the LDL structure is being highly strained, which leads to the molecule compression and crease. Therefore, one can conclude that at the moment of LDL entering the intercellular hiatus the macromolecule will be suffering the overall deformations and large modification of its structure.

  6. Biomimetic processing of oriented crystalline ceramic layers

    Energy Technology Data Exchange (ETDEWEB)

    Cesarano, J.; Shelnutt, J.A.

    1997-10-01

    The aim of this project was to develop the capabilities for Sandia to fabricate self assembled Langmuir-Blodgett (LB) films of various materials and to exploit their two-dimensional crystalline structure to promote the growth of oriented thin films of inorganic materials at room temperature. This includes the design and synthesis of Langmuir-active (amphiphilic) organic molecules with end groups offering high nucleation potential for various ceramics. A longer range goal is that of understanding the underlying principles, making it feasible to use the techniques presented in this report to fabricate unique oriented films of various materials for electronic, sensor, and membrane applications. Therefore, whenever possible, work completed in this report was completed with the intention of addressing the fundamental phenomena underlying the growth of crystalline, inorganic films on template layers of highly organized organic molecules. This problem was inspired by biological processes, which often produce exquisitely engineered structures via templated growth on polymeric layers. Seashells, for example, exhibit great toughness owing to their fine brick-and-mortar structure that results from templated growth of calcium carbonate on top of layers of ordered organic proteins. A key goal in this work, therefore, is to demonstrate a positive correlation between the order and orientation of the template layer and that of the crystalline ceramic material grown upon it. The work completed was comprised of several parallel efforts that encompassed the entire spectrum of biomimetic growth from solution. Studies were completed on seashells and the mechanisms of growth for calcium carbonate. Studies were completed on the characterization of LB films and the capability developed for the in-house fabrication of these films. Standard films of fatty acids were studied as well as novel polypeptides and porphyrins that were synthesized.

  7. Effect of the UV modification of α-crystallin on its ability to suppress nonspecific aggregation

    International Nuclear Information System (INIS)

    Ellozy, A.R.; Ceger, Patricia; Wang, R.H.; Dillon, James

    1996-01-01

    Recent studies have shown that structural modifications of α-crystallin during lens aging decrease it's effectiveness as a molecular chaperone. Some of these post-translational modifications have been linked to UV radiation, and this study was undertaken to investigate the effect of UV irradiation on the ability of α-crystallin to suppress nonspecific aggregation. The effect of 3-hydroxykynurenine (3-HK) was also investigated as a model for its glucoside (3-HKG), a main lens chromophore that has been linked to photochemical changes in the human lens. Alpha- and γ-crystallin solutions (1 mg/mL, 1:0.125 wt/wt) were photolyzed (transmission above 295nm) for various time intervals. Thermal denaturation of γ-crystallin with or without α-crystallin was carried out at 70 o C and increases in light scattering were measured at 360 nm. We found that (1) irradiation of γ-crystallin increased its susceptibility to heat-induced scattering. The addition of α-crystallin protects it against thermal denaturation, although its ability to do so decreases the longer γ-crystallin is irradiated and (2) irradiation of α-crystallin decreases its ability to suppress nonspecific aggregation and the presence of 3-HK during irradiation decreases its further. Our results indicate that post-translational modifications of α-crystallin due to UV irradiation affect the sites and mechanisms by which it interacts with γ-crystallin. The kinetics of γ-crystallin unfolding during thermal denaturation were also analyzed. We found that a simple two state model applied for nonirradiated γ-crystallin. This model does not hold when γ-crystallin is irradiated in the prescence or absence of α-crystallin. In these cases, two step or multistep mechanisms are more likely. (Author)

  8. The structure and properties of vacancies in Si nano-crystals calculated by real space pseudopotential methods

    International Nuclear Information System (INIS)

    Beckman, S.P.; Chelikowsky, James R.

    2007-01-01

    The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly related to the local symmetry of the vacancy site. The formation energy for vacancies and Frenkel pair are calculated. It is found that both defects have lower energy in smaller crystals. In a 2 nm nano-crystal the energy to form a Frenkel pair is 1.7 eV and the energy to form a vacancy is no larger than 2.3 eV. The energy barrier for vacancy diffusion is examined via a nudged elastic band algorithm

  9. Model Predictive Control application for real time operation of controlled structures for the Water Authority Noorderzijlvest, The Netherlands

    Science.gov (United States)

    van Heeringen, Klaas-Jan; Gooijer, Jan; Knot, Floris; Talsma, Jan

    2015-04-01

    In the Netherlands, flood protection has always been a key issue to protect settlements against storm surges and riverine floods. Whereas flood protection traditionally focused on structural measures, nowadays the availability of meteorological and hydrological forecasts enable the application of more advanced real-time control techniques for operating the existing hydraulic infrastructure in an anticipatory and more efficient way. Model Predictive Control (MPC) is a powerful technique to derive optimal control variables with the help of model based predictions evaluated against a control objective. In a project for the regional water authority Noorderzijlvest in the north of the Netherlands, it has been shown that MPC can increase the safety level of the system during flood events by an anticipatory pre-release of water. Furthermore, energy costs of pumps can be reduced by making tactical use of the water storage and shifting pump activities during normal operating conditions to off-peak hours. In this way cheap energy is used in combination of gravity flow through gates during low tide periods. MPC has now been implemented for daily operational use of the whole water system of the water authority Noorderzijlvest. The system developed to a real time decision support system which not only supports the daily operation but is able to directly implement the optimal control settings at the structures. We explain how we set-up and calibrated a prediction model (RTC-Tools) that is accurate and fast enough for optimization purposes, and how we integrated it in the operational flood early warning system (Delft-FEWS). Beside the prediction model, the weights and the factors of the objective function are an important element of MPC, since they shape the control objective. We developed special features in Delft-FEWS to allow the operators to adjust the objective function in order to meet changing requirements and to evaluate different control strategies.

  10. Analysis of the phenomena associated with structural damage using real time vibration analysis

    International Nuclear Information System (INIS)

    Garcia Peyrano, O; Cismondi, L; Damiani, H; Torres, E

    2004-01-01

    It is of interest to have analytical methodologies available for the dynamic behavior of large mechanical structures like those in thermal cycle systems of nuclear power plants or in transport systems during the experimental stage prior to their construction, as happens in aeronautics, where prototypes are tested in experimental banks on a scale of 1 to 1. The same does not occur with systems for the generation of electrical energy such as a nuclear power plant or in ships, competition automobiles, railway systems, etc. Not because of the technical impossibility but because of the high costs involved. This work aims to implement a technology based on the analysis of the vibrations to obtain a profile of the modal dynamic response and its influence on the critical components of the mechanisms with the particularity of detecting the preventive location of the component that may suffer a potential damage. The Vibrations Analysis Laboratory has resolved different cases in the Embalse Nuclear Plant, in the Atucha Nuclear Plant, in the Heavy Water Industrial Plant, in the automobile industry and in other industrial areas (CW)

  11. Electrical interface characteristics (I-V), optical time of flight measurements, and the x-ray (20 keV) signal response of amorphous-selenium/crystalline-silicon heterojunction structures

    Science.gov (United States)

    Hunter, David M.; Ho, Chu An; Belev, George; De Crescenzo, Giovanni; Kasap, Safa O.; Yaffe, Martin J.

    2011-03-01

    We have investigated the dark current, optical TOF (time of flight) properties, and the X-ray response of amorphousselenium (a-Se)/crystalline-silicon (c-Si) heterostructures for application in digital radiography. The structures have been studied to determine if an x-ray generated electron signal, created in an a-Se layer, could be directly transferred to a c-Si based readout device such as a back-thinned CCD (charge coupled device). A simple first order band-theory of the structure indicates that x-ray generated electrons should transfer from the a-Se to the c-Si, while hole transfer from p-doped c-Si to the a-Se should be blocked, permitting a low dark signal as required. The structures we have tested have a thin metal bias electrode on the x-ray facing side of the a-Se which is deposited on the c-Si substrate. The heterostructures made with pure a-Se deposited on epitaxial p-doped (5×10 14 cm-3) c-Si exhibited very low dark current of 15 pA cm-2 at a negative bias field of 10 V μm-1 applied to the a-Se. The optical TOF (time of flight) measurements show that the applied bias drops almost entirely across the a-Se layer and that the a-Se hole and electron mobilities are within the range of commonly accepted values. The x-ray signal measurements demonstrate the structure has the expected x-ray quantum efficiency. We have made a back-thinned CCD coated with a-Se and although most areas of the device show a poor x-ray response, it does contain small regions which do work properly with the expected x-ray sensitivity. Improved understanding of the a-Se/c-Si interface and preparation methods should lead to properly functioning devices.

  12. Crystalline phases by an improved gradient expansion technique

    Science.gov (United States)

    Carignano, S.; Mannarelli, M.; Anzuini, F.; Benhar, O.

    2018-02-01

    We develop an innovative technique for studying inhomogeneous phases with a spontaneous broken symmetry. The method relies on the knowledge of the exact form of the free energy in the homogeneous phase and on a specific gradient expansion of the order parameter. We apply this method to quark matter at vanishing temperature and large chemical potential, which is expected to be relevant for astrophysical considerations. The method is remarkably reliable and fast as compared to performing the full numerical diagonalization of the quark Hamiltonian in momentum space and is designed to improve the standard Ginzburg-Landau expansion close to the phase transition points. For definiteness, we focus on inhomogeneous chiral symmetry breaking, accurately reproducing known results for one-dimensional and two-dimensional modulations and examining novel crystalline structures, as well. Consistently with previous results, we find that the energetically favored modulation is the so-called one-dimensional real-kink crystal. We propose a qualitative description of the pairing mechanism to motivate this result.

  13. Synthesis and Supramolecular Chemistry of Novel Liquid Crystalline Crown Ether-Substituted Phthalocyanines : Toward Molecular Wires and Molecular Ionoelectronics

    NARCIS (Netherlands)

    Nostrum, Cornelus F. van; Picken, Stephen J.; Schouten, Arend-Jan; Nolte, Roeland J.M.

    1995-01-01

    The synthesis of the metal-free and the dihydroxysilicon derivatives of tetrakis[4’,5’-bis(decoxy)benzo-18-crown-6]phthalocyanine is described. The metal-free phthalocyanine is liquid crystalline and exhibits a crystalline phase to mesophase transition at 148 °C. The structures of the crystalline

  14. Photoinduced macroscopic chiral structures in a series of azobenzene copolyesters

    DEFF Research Database (Denmark)

    Nedelchev, L.; Nikolova, L.; Matharu, A.

    2002-01-01

    A study of the propagation of elliptically polarized light and the resulting formation of macroscopic chiral structures in a series of azobenzene side-chain copolyesters, in which the morphology is varied from liquid crystalline to amorphous, is reported. Real-time measurements are presented...

  15. Generic Crystalline Disposal Reference Case

    Energy Technology Data Exchange (ETDEWEB)

    Painter, Scott Leroy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Harp, Dylan Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Perry, Frank Vinton [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wang, Yifeng [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-20

    A generic reference case for disposal of spent nuclear fuel and high-level radioactive waste in crystalline rock is outlined. The generic cases are intended to support development of disposal system modeling capability by establishing relevant baseline conditions and parameters. Establishment of a generic reference case requires that the emplacement concept, waste inventory, waste form, waste package, backfill/buffer properties, EBS failure scenarios, host rock properties, and biosphere be specified. The focus in this report is on those elements that are unique to crystalline disposal, especially the geosphere representation. Three emplacement concepts are suggested for further analyses: a waste packages containing 4 PWR assemblies emplaced in boreholes in the floors of tunnels (KBS-3 concept), a 12-assembly waste package emplaced in tunnels, and a 32-assembly dual purpose canister emplaced in tunnels. In addition, three failure scenarios were suggested for future use: a nominal scenario involving corrosion of the waste package in the tunnel emplacement concepts, a manufacturing defect scenario applicable to the KBS-3 concept, and a disruptive glaciation scenario applicable to both emplacement concepts. The computational approaches required to analyze EBS failure and transport processes in a crystalline rock repository are similar to those of argillite/shale, with the most significant difference being that the EBS in a crystalline rock repository will likely experience highly heterogeneous flow rates, which should be represented in the model. The computational approaches required to analyze radionuclide transport in the natural system are very different because of the highly channelized nature of fracture flow. Computational workflows tailored to crystalline rock based on discrete transport pathways extracted from discrete fracture network models are recommended.

  16. Real-space multiple-scattering theory and the electronic structure of systems with full or reduced symmetry

    International Nuclear Information System (INIS)

    Zhang, X.; Gonis, A.; MacLaren, J.M.

    1989-01-01

    We present a new real-space multiple-scattering-theory method for the solution of the Schroedinger equation and the calculation of the electronic structure of solid materials with full or reduced symmetry. The method is based on the concept of semi-infinite periodicity (SIP), rather than translational invariance, and on the property of removal invariance of the scattering matrix of systems with SIP. This latter property allows one to replace the usual Brillouin-zone integrals in reciprocal space by a self-consistency equation for the t matrix, which is sufficient for the determination of the Green function and related properties. Because it is developed entirely in direct space, the method provides a unified treatment of the electronic structure of bulk materials, surfaces, interfaces and grain boundaries (coherent or incoherent), impurities of interstitial or substitutional kinds, and can be easily extended to treat concentrated, substitutionally disordered alloys. One of its advantages over methods based on Bloch's theorem and reciprocal space is the great simplicity of setting up and running the associated computer codes even for complex structures, and structures with reduced or no symmetry that lie outside the realm of applicability of conventional methods. We present the results of model calculations for one-dimensional and three-dimensional model systems as well as for three-dimensional realistic materials. Where appropriate, these results are compared with those obtained through conventional techniques, and give an indication of the method's flexibility and reliability. Our applications of this method to this point are discussed, and our plans for future development are presented

  17. Protective Effects of Acetylation on the Pathological Reactions of the Lens Crystallins with Homocysteine Thiolactone.

    Directory of Open Access Journals (Sweden)

    Zeinab Moafian

    Full Text Available Various post-translational lens crystallins modifications result in structural and functional insults, contributing to the development of lens opacity and cataract disorders. Lens crystallins are potential targets of homocysteinylation, particularly under hyperhomocysteinemia which has been indicated in various eye diseases. Since both homocysteinylation and acetylation primarily occur on protein free amino groups, we applied different spectroscopic methods and gel mobility shift analysis to examine the possible preventive role of acetylation against homocysteinylation. Lens crystallins were extensively acetylated in the presence of acetic anhydride and then subjected to homocysteinylation in the presence of homocysteine thiolactone (HCTL. Extensive acetylation of the lens crystallins results in partial structural alteration and enhancement of their stability, as well as improvement of α-crystallin chaperone-like activity. In addition, acetylation partially prevents HCTL-induced structural alteration and aggregation of lens crystallins. Also, acetylation protects against HCTL-induced loss of α-crystallin chaperone activity. Additionally, subsequent acetylation and homocysteinylation cause significant proteolytic degradation of crystallins. Therefore, further experimentation is required in order to judge effectively the preventative role of acetylation on the structural and functional insults induced by homocysteinylation of lens crystallins.

  18. Atomically flat single-crystalline gold nanostructures for plasmonic nanocircuitry

    Energy Technology Data Exchange (ETDEWEB)

    Huang, J S; Geisler, P; Bruening, C; Kern, J; Prangsma, J C; Wu, X; Feichtner, Thorsten; Ziegler, J; Weinmann, P; Kamp, M; Forchel, A; Hecht, B [Wilhelm-Conrad-Roentgen-Center for Complex Material Systems, University of Wuerzburg (Germany); Biagioni, P [CNISM, Dipartimento di Fisica, Politecnico di Milano (Italy)

    2011-07-01

    Deep subwavelength integration of high-definition plasmonic nano-structures is of key importance for the development of future optical nanocircuitry. So far the experimental realization of proposed extended plasmonic networks remains challenging, mainly due to the multi-crystallinity of commonly used thermally evaporated gold layers. Resulting structural imperfections in individual circuit elements drastically reduce the yield of functional integrated nanocircuits. Here we demonstrate the use of very large but thin chemically grown single-crystalline gold flakes. After immobilization on any arbitrary surface, they serve as an ideal basis for focused-ion beam milling. We present high-definition ultra-smooth gold nanostructures with reproducible nanosized features over micrometer lengthscales. By comparing multi- and single-crystalline optical antennas we prove that the latter have superior optical properties which are in good agreement with numerical simulations.

  19. Development of shear bands in amorphous-crystalline metallic alloys

    International Nuclear Information System (INIS)

    Pozdnyakov, V.A.

    2004-01-01

    A theoretical study is made into conditions of shear band evolution in amorphous-crystalline alloys with various morphological types of structural constituents. The condition of shear band evolution in thin amorphous alloys in the interior of the crystalline matrix is obtained. It is shown that a scale effect exists which manifests itself in suppression of the process of localized plastic flow with amorphous alloy thickness decreasing down to the limit. The analysis of the condition for shear band evolution in an amorphous alloy with nanocrystalline inclusions is accomplished. The relationship of a critical stress of shear band evolution to a volume fraction of disperse crystal inclusions is obtained. A consideration is also given to the evolution of shear bands in the material containing amorphous and crystalline areas of micro meter size. For the alloy with the structure of this type conditions for propagation of localized flows by a relay race type mechanism are determined [ru

  20. Growth and Brilliant Photo-Emission of Crystalline Hexagonal Column of Alq3 Microwires

    OpenAIRE

    Seokho Kim; Do Hyoung Kim; Jinho Choi; Hojin Lee; Sun-Young Kim; Jung Woon Park; Dong Hyuk Park

    2018-01-01

    We report the growth and nanoscale luminescence characteristics of 8-hydroxyquinolinato aluminum (Alq3) with a crystalline hexagonal column morphology. Pristine Alq3 nanoparticles (NPs) were prepared using a conventional reprecipitation method. Crystal hexagonal columns of Alq3 were grown by using a surfactant-assisted self-assembly technique as an adjunct to the aforementioned reprecipitation method. The formation and structural properties of the crystalline and non-crystalline Alq3 NPs were...

  1. Vibrational sum frequency generation (SFG) spectroscopic study of crystalline cellulose in biomass

    Science.gov (United States)

    Kim, Seong H.; Lee, Christopher M.; Kafle, Kabindra; Park, Yong Bum; Xi, Xiaoning

    2013-09-01

    The noncentrosymmetry requirement of sum frequency generation (SFG) spectroscopy allows selective detection of crystalline cellulose in plant cell walls and lignocellulose biomass without spectral interferences from hemicelluloses and lignin. In addition, the phase synchronization requirement of the SFG process allows noninvasive investigation of spatial arrangement of crystalline cellulose microfibrils in the sample. This paper reviews how these principles are applied to reveal structural information of crystalline cellulose in plant cell walls and biomass.

  2. Design of multi materials combining crystalline and amorphous metallic alloys

    International Nuclear Information System (INIS)

    Volland, A.; Ragani, J.; Liu, Y.; Gravier, S.; Suéry, M.; Blandin, J.J.

    2012-01-01

    Highlights: ► Elaboration of multi materials associating metallic glasses and conventional crystalline alloys by co-deformation performed at temperatures close to the glass transition temperature of the metallic glasses. ► Elaboration of filamentary metal matrix composites with a core in metallic glass by co extrusion. ► Sandwich structures produced by co-pressing. ► Detection of atomic diffusion from the glass to the crystalline alloys during the processes. ► Good interfaces between the metallic glasses and the crystalline alloys, as confirmed by mechanical characterisation. - Abstract: Multi materials, associating zirconium based bulk metallic glasses and crystalline metallic alloys like magnesium alloys or copper are elaborated by co-deformation processing performed in the supercooled liquid regions (SLR) of the bulk metallic glasses. Two processes are investigated: co-extrusion and co-pressing. In the first case, filamentary composites with various designs can be produced whereas in the second case sandwich structures are obtained. The experimental window (temperature, time) in which processing can be carried out is directly related to the crystallisation resistance of the glass which requires getting information about the crystallisation conditions in the selected metallic glasses. Thermoforming windows are identified for the studied BMGs by thermal analysis and compression tests in their SLR. The mechanical properties of the produced multi materials are investigated thanks to specifically developed mechanical devices and the interfaces between the amorphous and the crystalline alloys are characterised.

  3. Modification of medium-range order in silica glass by ball-milling: real- and reciprocal-space structural correlations for the first sharp diffraction peak

    International Nuclear Information System (INIS)

    Mukai, Akira; Kohara, Shinji; Uchino, Takashi

    2007-01-01

    We have carried out high-energy x-ray diffraction measurements on mechanically milled silica glass. It has been found that the first sharp diffraction peak (FSDP) in the structure factor S(Q) of silica glass appreciably decreases in intensity as a result of mechanical milling, whereas the observed features of the other peaks in S(Q) almost remain unchanged. The corresponding real-space correlation function of the milled samples shows a marked decrease in intensity at r∼5 A. This gives an experimental manifestation that the dominant real-space structural correlation pertaining to the FSDP occurs at r∼5 A

  4. Modification of medium-range order in silica glass by ball-milling: real- and reciprocal-space structural correlations for the first sharp diffraction peak

    Energy Technology Data Exchange (ETDEWEB)

    Mukai, Akira [Department of Chemistry, Kobe University, Kobe 657-8501 (Japan); Kohara, Shinji [SPring-8, Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198 (Japan); Uchino, Takashi [Department of Chemistry, Kobe University, Kobe 657-8501 (Japan)

    2007-11-14

    We have carried out high-energy x-ray diffraction measurements on mechanically milled silica glass. It has been found that the first sharp diffraction peak (FSDP) in the structure factor S(Q) of silica glass appreciably decreases in intensity as a result of mechanical milling, whereas the observed features of the other peaks in S(Q) almost remain unchanged. The corresponding real-space correlation function of the milled samples shows a marked decrease in intensity at r{approx}5 A. This gives an experimental manifestation that the dominant real-space structural correlation pertaining to the FSDP occurs at r{approx}5 A.

  5. Ferrofluids in liquid crystalline systems

    International Nuclear Information System (INIS)

    Figueiredo Neto, A.M.; Liebert, L.

    1989-08-01

    It is a well-known fact that intermediate or mesomorphic phase may exist between the crystalline and the isotropic liquid phases. The symmetry properties of these mesophases are intermediate between those of a crystal and a liquid. In this paper, some aspects of the use of ferrofluids in thermotropic and lyotropic systems are studied both the experimental difficulties as well as the fundamental phypical phenomena involved. (A.C.A.S.) [pt

  6. Graphene on insulating crystalline substrates

    International Nuclear Information System (INIS)

    Akcoeltekin, S; El Kharrazi, M; Koehler, B; Lorke, A; Schleberger, M

    2009-01-01

    We show that it is possible to prepare and identify ultra-thin sheets of graphene on crystalline substrates such as SrTiO 3 , TiO 2 , Al 2 O 3 and CaF 2 by standard techniques (mechanical exfoliation, optical and atomic force microscopy). On the substrates under consideration we find a similar distribution of single layer, bilayer and few-layer graphene and graphite flakes as with conventional SiO 2 substrates. The optical contrast C of a single graphene layer on any of those substrates is determined by calculating the optical properties of a two-dimensional metallic sheet on the surface of a dielectric, which yields values between C = -1.5% (G/TiO 2 ) and C = -8.8% (G/CaF 2 ). This contrast is in reasonable agreement with experimental data and is sufficient to make identification by an optical microscope possible. The graphene layers cover the crystalline substrate in a carpet-like mode and the height of single layer graphene on any of the crystalline substrates as determined by atomic force microscopy is d SLG = 0.34 nm and thus much smaller than on SiO 2 .

  7. Bacterial adhesion on amorphous and crystalline metal oxide coatings

    International Nuclear Information System (INIS)

    Almaguer-Flores, Argelia; Silva-Bermudez, Phaedra; Galicia, Rey; Rodil, Sandra E.

    2015-01-01

    Several studies have demonstrated the influence of surface properties (surface energy, composition and topography) of biocompatible materials on the adhesion of cells/bacteria on solid substrates; however, few have provided information about the effect of the atomic arrangement or crystallinity. Using magnetron sputtering deposition, we produced amorphous and crystalline TiO 2 and ZrO 2 coatings with controlled micro and nanoscale morphology. The effect of the structure on the physical–chemical surface properties was carefully analyzed. Then, we studied how these parameters affect the adhesion of Escherichia coli and Staphylococcus aureus. Our findings demonstrated that the nano-topography and the surface energy were significantly influenced by the coating structure. Bacterial adhesion at micro-rough (2.6 μm) surfaces was independent of the surface composition and structure, contrary to the observation in sub-micron (0.5 μm) rough surfaces, where the crystalline oxides (TiO 2 > ZrO 2 ) surfaces exhibited higher numbers of attached bacteria. Particularly, crystalline TiO 2 , which presented a predominant acidic nature, was more attractive for the adhesion of the negatively charged bacteria. The information provided by this study, where surface modifications are introduced by means of the deposition of amorphous or crystalline oxide coatings, offers a route for the rational design of implant surfaces to control or inhibit bacterial adhesion. - Highlights: • Amorphous (a) and crystalline (c) TiO 2 and ZrO 2 coatings were deposited. • The atomic ordering influences the coatings surface charge and nano-topography. • The atomic ordering modifies the bacterial adhesion for the same surface chemistry. • S. aureus adhesion was lower on a-TiO 2 and a-ZrO 2 than on their c-oxide counterpart. • E. coli adhesion on a-TiO 2 was lower than on the c-TiO 2

  8. Bacterial adhesion on amorphous and crystalline metal oxide coatings

    Energy Technology Data Exchange (ETDEWEB)

    Almaguer-Flores, Argelia [Facultad de Odontología, División de Estudios de Posgrado e Investigación, Universidad Nacional Autónoma de México, Circuito exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico); Silva-Bermudez, Phaedra, E-mail: suriel21@yahoo.com [Unidad de Ingeniería de Tejidos, Terapia Celular y Medicina Regenerativa, Instituto Nacional de Rehabilitación, Calzada México-Xochimilco No. 289, Col. Arenal de Guadalupe, 14389 México D.F. (Mexico); Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico); Galicia, Rey; Rodil, Sandra E. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico)

    2015-12-01

    Several studies have demonstrated the influence of surface properties (surface energy, composition and topography) of biocompatible materials on the adhesion of cells/bacteria on solid substrates; however, few have provided information about the effect of the atomic arrangement or crystallinity. Using magnetron sputtering deposition, we produced amorphous and crystalline TiO{sub 2} and ZrO{sub 2} coatings with controlled micro and nanoscale morphology. The effect of the structure on the physical–chemical surface properties was carefully analyzed. Then, we studied how these parameters affect the adhesion of Escherichia coli and Staphylococcus aureus. Our findings demonstrated that the nano-topography and the surface energy were significantly influenced by the coating structure. Bacterial adhesion at micro-rough (2.6 μm) surfaces was independent of the surface composition and structure, contrary to the observation in sub-micron (0.5 μm) rough surfaces, where the crystalline oxides (TiO{sub 2} > ZrO{sub 2}) surfaces exhibited higher numbers of attached bacteria. Particularly, crystalline TiO{sub 2}, which presented a predominant acidic nature, was more attractive for the adhesion of the negatively charged bacteria. The information provided by this study, where surface modifications are introduced by means of the deposition of amorphous or crystalline oxide coatings, offers a route for the rational design of implant surfaces to control or inhibit bacterial adhesion. - Highlights: • Amorphous (a) and crystalline (c) TiO{sub 2} and ZrO{sub 2} coatings were deposited. • The atomic ordering influences the coatings surface charge and nano-topography. • The atomic ordering modifies the bacterial adhesion for the same surface chemistry. • S. aureus adhesion was lower on a-TiO{sub 2} and a-ZrO{sub 2} than on their c-oxide counterpart. • E. coli adhesion on a-TiO{sub 2} was lower than on the c-TiO{sub 2}.

  9. Large-strain optical fiber sensing and real-time FEM updating of steel structures under the high temperature effect

    International Nuclear Information System (INIS)

    Huang, Ying; Fang, Xia; Xiao, Hai; Bevans, Wesley James; Chen, Genda; Zhou, Zhi

    2013-01-01

    Steel buildings are subjected to fire hazards during or immediately after a major earthquake. Under combined gravity and thermal loads, they have non-uniformly distributed stiffness and strength, and thus collapse progressively with large deformation. In this study, large-strain optical fiber sensors for high temperature applications and a temperature-dependent finite element model updating method are proposed for accurate prediction of structural behavior in real time. The optical fiber sensors can measure strains up to 10% at approximately 700 °C. Their measurements are in good agreement with those from strain gauges up to 0.5%. In comparison with the experimental results, the proposed model updating method can reduce the predicted strain errors from over 75% to below 20% at 800 °C. The minimum number of sensors in a fire zone that can properly characterize the vertical temperature distribution of heated air due to the gravity effect should be included in the proposed model updating scheme to achieve a predetermined simulation accuracy. (paper)

  10. Study of the proton structure by measurements of polarization transfers in real Compton scattering at J Lab

    International Nuclear Information System (INIS)

    Fanelli, C.; Salme, G.; Cisbani, E.; Hamilton, D.; Wojtsekhowski, B.

    2014-01-01

    A preliminary analysis of polarization-transfer data at large scattering angle (70 degrees), obtained in an experiment of real Compton scattering on proton, performed in Hall-C of Jefferson Lab, is presented. It is also discussed the relevance of this kind of experiments for shedding light on the non-perturbative structure of the proton, at low energy, and on the transition from the non-perturbative regime to the perturbative one, that occurs at high energy. Moreover, the possibility to extract Compton form factors and the Generalized Parton Distributions (GPD), one of the most promising theoretical tool to determine the total angular momentum contribution of quarks and gluons to nucleon spin, is emphasized. The preliminary results appear consistent with GPD's based and Regge predictions. This is not sufficient yet to exclude pQCD COZ (Chernyak-Oglobin-Zhitnistsky) model, but it is another preliminary indication that the handbag approach seems to be the dominant mechanism at the energy of the experiment

  11. Optical characteristics of crystalline antimony sulphide (Sb 2 S 3 ...

    African Journals Online (AJOL)

    This paper presents the important optical characteristics of crystalline Sb2S3 film deposited on glass substrate using solution growth technique at 300k. These characteristics were analyzed using PYEUNICAM SP8-100 spectrophotometer in the range of UV-VIS-NIR while the morphology and the structural composition were ...

  12. Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

    NARCIS (Netherlands)

    Torricelli, Gauthier; van Zwol, Peter J.; Shpak, Olex; Palasantzas, George; Svetovoy, Vitaly B.; Binns, Chris; Kooi, Bart J.; Jost, Peter; Wuttig, Matthias

    2012-01-01

    Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a significant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and non-volatile

  13. Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

    NARCIS (Netherlands)

    Torrichelli, G.; van Zwol, P.J.; Shpak, O.; Palasantzas, G.; Svetovoy, Vitaly; Binns, C.; Kooi, B.J.; Jost, P.; Wittig, M.

    2012-01-01

    Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a signifi cant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and nonvolatile

  14. Fourier transform infrared spectroscopic estimation of crystallinity in ...

    Indian Academy of Sciences (India)

    We present here optical properties and crystallinity index of quartz (SiO2) in natural rocks samples from the Mikir and Khasi hills, Assam, India. Infrared spectroscopy has been used to study the structure of quartz in rock samples and estimate the mining quality of quartz mineral, which is substantiated by calculating the ...

  15. Principles and operation of crystalline and amorphous silicon solar cells

    International Nuclear Information System (INIS)

    Chambouleyron, I.

    1983-01-01

    This paper deals with the fundamental aspects of photovoltaic energy conversion. Crystalline silicon solar cell physics together with design criteria and conversion losses are discussed. The general properties of hydrogenated amorphous silicon and the principles of a-Si:H solar cell operation are briefly reviewed. New trends in amorphous materials of photovoltaic interest and novel device structures are finally presented. (Author) [pt

  16. Synthesis and crystalline properties of CdS incorporated polyvinylidene fluoride (PVDF) composite film

    Science.gov (United States)

    Patel, Arunendra Kumar; Sunder, Aishwarya; Mishra, Shweta; Bajpai, Rakesh

    2018-05-01

    This paper gives an insight on the synthesis and crystalline properties of Polyvinylidene Fluoride (PVDF) (host matrix) composites impregnated with Cadmium Sulphide (CdS) using Dimethyl formamide (DMF) as the base, prepared by the well known solvent casting technique. The effect of doping concentration of CdS in to the PVDF matrix was studied using X-ray diffraction technique. The structural properties like crystallinity Cr, interplanar distance d, average size of the crystalline region (D), and average inter crystalline separation (R) have been estimated for the developed composite. The crystallinity index, crystallite size and inter crystalline separation is increasing with increase in the concentration of CdS in to the PVDF matrix while the interplanar distance d is decreasing.

  17. Matrix formulation of the particle motion in crystalline beams

    International Nuclear Information System (INIS)

    Haffmans, A.F.; Maletic, D.; Ruggiero, A.G.

    1994-01-01

    To investigate the properties of Crystalline Beams in their ground state, the equations of motion of a single ion and the envelope equations are derived. It is possible to express the status of motion with a set of transfer matrices associated to each of the magnet elements of the storage ring. By inspection of the eigenvalues of the total transfer matrix one then determines the onset of crystalline structures and the stability limits. An analytical approach is also possible, based on the estimate of the shifting of the frequencies of oscillation, betatron and longitudinal, and on the approaching of a major half-integral stopband resonance driven by the space charge

  18. Naturally occurring crystalline phases: analogues for radioactive waste forms

    International Nuclear Information System (INIS)

    Haaker, R.F.; Ewing, R.C.

    1981-01-01

    Naturally occurring mineral analogues to crystalline phases that are constituents of crystalline radioactive waste forms provide a basis for comparison by which the long-term stability of these phases may be estimated. The crystal structures and the crystal chemistry of the following natural analogues are presented: baddeleyite, hematite, nepheline; pollucite, scheelite;sodalite, spinel, apatite, monazite, uraninite, hollandite-priderite, perovskite, and zirconolite. For each phase in geochemistry, occurrence, alteration and radiation effects are described. A selected bibliography for each phase is included

  19. Naturally occurring crystalline phases: analogues for radioactive waste forms

    Energy Technology Data Exchange (ETDEWEB)

    Haaker, R.F.; Ewing, R.C.

    1981-01-01

    Naturally occurring mineral analogues to crystalline phases that are constituents of crystalline radioactive waste forms provide a basis for comparison by which the long-term stability of these phases may be estimated. The crystal structures and the crystal chemistry of the following natural analogues are presented: baddeleyite, hematite, nepheline; pollucite, scheelite;sodalite, spinel, apatite, monazite, uraninite, hollandite-priderite, perovskite, and zirconolite. For each phase in geochemistry, occurrence, alteration and radiation effects are described. A selected bibliography for each phase is included.

  20. Reaction Front Evolution during Electrochemical Lithiation of Crystalline Silicon Nanopillars

    KAUST Repository

    Lee, Seok Woo

    2012-12-01

    The high theoretical specific capacity of Si as an anode material is attractive in lithium-ion batteries, although the issues caused by large volume changes during cycling have been a major challenge. Efforts have been devoted to understanding how diffusion-induced stresses cause fracture, but recent observations of anisotropic volume expansion in single-crystalline Si nanostructures require new theoretical considerations of expansion behavior during lithiation. Further experimental investigation is also necessary to better understand the anisotropy of the lithiation process. Here, we present a method to reveal the crystalline core of partially lithiated Si nanopillars with three different crystallographic orientations by using methanol to dissolve the Li atoms from the amorphous Li-Si alloy. The exposed crystalline cores have flat {110} surfaces at the pillar sidewalls; these surfaces represent the position of the reaction front between the crystalline core and the amorphous Li-Si alloy. It was also found that an amorphous Si structure remained on the flat surfaces of the crystalline core after dissolution of the Li, which was presumed to be caused by the accumulation of Si atoms left over from the removal of Li from the Li-Si alloy. © 2012 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim.

  1. Liquid crystallinity driven highly aligned large graphene oxide composites

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kyung Eun; Oh, Jung Jae; Yun, Taeyeong [Center for Nanomaterials and Chemical Reactions, Institute for Basic Science (IBS), Daejeon 305-701 (Korea, Republic of); Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of); Kim, Sang Ouk, E-mail: sangouk.kim@kaist.ac.kr [Center for Nanomaterials and Chemical Reactions, Institute for Basic Science (IBS), Daejeon 305-701 (Korea, Republic of); Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of)

    2015-04-15

    Graphene is an emerging graphitic carbon materials, consisting of sp{sup 2} hybridized two dimensinal honeycomb structure. It has been widely studied to incorporate graphene with polymer to utilize unique property of graphene and reinforce electrical, mechanical and thermal property of polymer. In composite materials, orientation control of graphene significantly influences the property of composite. Until now, a few method has been developed for orientation control of graphene within polymer matrix. Here, we demonstrate facile fabrication of high aligned large graphene oxide (LGO) composites in polydimethylsiloxane (PDMS) matrix exploiting liquid crystallinity. Liquid crystalline aqueous dispersion of LGO is parallel oriented within flat confinement geometry. Freeze-drying of the aligned LGO dispersion and subsequent infiltration with PDMS produce highly aligned LGO/PDMS composites. Owing to the large shape anisotropy of LGO, liquid crystalline alignment occurred at low concentration of 2 mg/ml in aqueous dispersion, which leads to the 0.2 wt% LGO loaded composites. - Graphical abstract: Liquid crystalline LGO aqueous dispersions are spontaneous parallel aligned between geometric confinement for highly aligned LGO/polymer composite fabrication. - Highlights: • A simple fabrication method for highly aligned LGO/PDMS composites is proposed. • LGO aqueous dispersion shows nematic liquid crystalline phase at 0.8 mg/ml. • In nematic phase, LGO flakes are highly aligned by geometric confinement. • Infiltration of PDMS into freeze-dried LGO allows highly aligned LGO/PDMS composites.

  2. Reaction Front Evolution during Electrochemical Lithiation of Crystalline Silicon Nanopillars

    KAUST Repository

    Lee, Seok Woo; Berla, Lucas A.; McDowell, Matthew T.; Nix, William D.; Cui, Yi

    2012-01-01

    The high theoretical specific capacity of Si as an anode material is attractive in lithium-ion batteries, although the issues caused by large volume changes during cycling have been a major challenge. Efforts have been devoted to understanding how diffusion-induced stresses cause fracture, but recent observations of anisotropic volume expansion in single-crystalline Si nanostructures require new theoretical considerations of expansion behavior during lithiation. Further experimental investigation is also necessary to better understand the anisotropy of the lithiation process. Here, we present a method to reveal the crystalline core of partially lithiated Si nanopillars with three different crystallographic orientations by using methanol to dissolve the Li atoms from the amorphous Li-Si alloy. The exposed crystalline cores have flat {110} surfaces at the pillar sidewalls; these surfaces represent the position of the reaction front between the crystalline core and the amorphous Li-Si alloy. It was also found that an amorphous Si structure remained on the flat surfaces of the crystalline core after dissolution of the Li, which was presumed to be caused by the accumulation of Si atoms left over from the removal of Li from the Li-Si alloy. © 2012 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim.

  3. Liquid crystalline epoxy nanocomposite material for dental application.

    Science.gov (United States)

    Tai, Yun-Yuan; Hsu, Sheng-Hao; Chen, Rung-Shu; Su, Wei-Fang; Chen, Min-Huey

    2015-01-01

    Novel liquid crystalline epoxy nanocomposites, which exhibit reduced polymerization shrinkage and effectively bond to tooth structures, can be applied in esthetic dentistry, including core and post systems, direct and indirect restorations, and dental brackets. The purposes of this study were to investigate the properties of liquid crystalline epoxy nanocomposites including biocompatibility, microhardness, and frictional forces of bracket-like blocks with different filler contents for further clinical applications. In this study, we evaluated liquid crystalline epoxy nanocomposite materials that exhibited various filler contents, by assessing their cell activity performance using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and their microhardness with or without thermocycling. We also evaluated the frictional force between bracket-like duplicates and commercially available esthetic bracket systems using Instron 5566. The liquid crystalline epoxy nanocomposite materials showed good biocompatibility. The materials having high filler content demonstrated greater microhardness compared with commercially available bracket materials, before and after the thermocycling treatment. Thus, manufacturing processes are important to reduce frictional force experienced by orthodontic brackets. The microhardness of the bracket-like blocks made by our new material is superior to the commercially available brackets, even after thermocycling. Our results indicate that the evaluated liquid crystalline epoxy nanocomposite materials are of an appropriate quality for application in dental core and post systems and in various restorations. By applying technology to refine manufacturing processes, these new materials could also be used to fabricate esthetic brackets for orthodontic treatment. Copyright © 2014. Published by Elsevier B.V.

  4. Nonlinear laser pulse response in a crystalline lens.

    Science.gov (United States)

    Sharma, R P; Gupta, Pradeep Kumar; Singh, Ram Kishor; Strickland, D

    2016-04-01

    The propagation characteristics of a spatial Gaussian laser pulse have been studied inside a gradient-index structured crystalline lens with constant-density plasma generated by the laser-tissue interaction. The propagation of the laser pulse is affected by the nonlinearities introduced by the generated plasma inside the crystalline lens. Owing to the movement of plasma species from a higher- to a lower-temperature region, an increase in the refractive index occurs that causes the focusing of the laser pulse. In this study, extended paraxial approximation has been applied to take into account the evolution of the radial profile of the Gaussian laser pulse. To examine the propagation characteristics, variation of the beam width parameter has been observed as a function of the laser power and initial beam radius. The cavitation bubble formation, which plays an important role in the restoration of the elasticity of the crystalline lens, has been investigated.

  5. On-Line Real-Time Management Information Systems and Their Impact Upon User Personnel and Organizational Structure in Aviation Maintenance Activities.

    Science.gov (United States)

    1979-12-01

    ON USER PERSONNEL AND ORGANIZATINAL STRUCTUREl E REAL-TIME COMPUTER-BASED MANAGEMENT INFORMATION SYSTEM ARE EXPLORED MANAGEMENT INFORMATION SRVICE...PERSONNEL AND ORGANIZATIONAL STRUCTURE IN A LOGY INTO AN ORGANIZATION CAN SIGNIFICANTLY IMPACT THE ORGANIZATION#S EFFECTIVENES ONNEL AND ORGANIZATINAL ...bureau- cracy and bolster upper level leadership . His view considered the computer system informa- tion specialists as support personel only and

  6. Real-Time Imaging of Plant Cell Wall Structure at Nanometer Scale, with Respect to Cellulase Accessibility and Degradation Kinetics (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Ding, S. Y.

    2012-05-01

    Presentation on real-time imaging of plant cell wall structure at nanometer scale. Objectives are to develop tools to measure biomass at the nanometer scale; elucidate the molecular bases of biomass deconstruction; and identify factors that affect the conversion efficiency of biomass-to-biofuels.

  7. Saline groundwater in crystalline bedrock

    International Nuclear Information System (INIS)

    Lampen, P.

    1992-11-01

    The State-of-art report describes research made on deep saline groundwaters and brines found in crystalline bedrock, mainly in site studies for nuclear waste disposal. The occurrence, definitions and classifications of saline groundwaters are reviewed with a special emphasis on the different theories concerning the origins of saline groundwaters. Studies of the saline groundwaters in Finland and Sweden have been reviewed more thoroughly. Also the mixing of different bodies of groundwaters, observations of the contact of saline groundwaters and permafrost, and the geochemical modelling of saline groundwaters as well as the future trends of research have been discussed. (orig.)

  8. Crystalline beams: The vertical zigzag

    International Nuclear Information System (INIS)

    Haffmans, A.F.; Maletic, D.; Ruggiero, A.G.

    1994-01-01

    This note is the continuation of our comprehensive investigation of Crystalline Beams. After having determined the equations of motion and the conditions for the formation of the simplest configuration, i.e. the string, we study the possibility of storing an intense beam of charged particles in a storage ring where they form a vertical zigzag. We define the equilibrium configuration, and examine the confinement conditions. Subsequently, we derive the transfer matrix for motion through various elements of the storage ring. Finally we investigate the stability conditions for such a beam

  9. Nitrogen in highly crystalline carbon nanotubes

    International Nuclear Information System (INIS)

    Ducati, C; Koziol, K; Stavrinadis, A; Friedrichs, S; Windle, A H; Midgley, P A

    2006-01-01

    Multiwall carbon nanotubes (MWCNTs) with an unprecedented degree of internal order were synthesised by chemical vapour deposition (CVD) adding a nitrogen-containing compound to the hydrocarbon feedstock. Ferrocene was used as the metal catalyst precursor. The remarkable crystallinity of these nanotubes lies both in the isochirality and in the crystallographic register of their walls, as demonstrated by electron diffraction and high resolution electron microscopy experiments. High resolution transmission electron microscopy analysis shows that the walls of the nanotubes consist of truncated stacked cones, instead of perfect cylinders, with a range of apex angles that appears to be related to the nitrogen concentration in the synthesis process. The structure of armchair, zigzag and chiral nanotubes is modelled and discussed in terms of density of topological defects, providing an interesting comparison with our microscopy experiments. A growth mechanism based on the interplay of base- and tip-growth is proposed to account for our experimental observations

  10. Semiclassical and quantum polarons in crystalline acetanilide

    Science.gov (United States)

    Hamm, P.; Tsironis, G. P.

    2007-08-01

    Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.

  11. Amorphous silicon crystalline silicon heterojunction solar cells

    CERN Document Server

    Fahrner, Wolfgang Rainer

    2013-01-01

    Amorphous Silicon/Crystalline Silicon Solar Cells deals with some typical properties of heterojunction solar cells, such as their history, the properties and the challenges of the cells, some important measurement tools, some simulation programs and a brief survey of the state of the art, aiming to provide an initial framework in this field and serve as a ready reference for all those interested in the subject. This book helps to "fill in the blanks" on heterojunction solar cells. Readers will receive a comprehensive overview of the principles, structures, processing techniques and the current developmental states of the devices. Prof. Dr. Wolfgang R. Fahrner is a professor at the University of Hagen, Germany and Nanchang University, China.

  12. Nonlinear optics of liquid crystalline materials

    International Nuclear Information System (INIS)

    Khoo, Iam Choon

    2009-01-01

    Liquid crystals occupy an important niche in nonlinear optics as a result of their unique physical and optical properties. Besides their broadband birefringence and transparency, abilities to self-assemble into various crystalline phases and to conform to various flexible forms and shapes, liquid crystals are compatible with almost all other optoelectronic materials and technology platforms. In both isotropic and ordered phases, liquid crystals possess extraordinarily large optical nonlinearities that stretch over multiple time scales. To date, almost all conceivable nonlinear optical phenomena have been observed in a very broad spectrum spanning the entire visible to infrared and beyond. In this review, we present a self-contained complete discussion of the optical nonlinearities of liquid crystals, and a thorough review of a wide range of nonlinear optical processes and phenomena enabled by these unique properties. Starting with a brief historical account of the development of nonlinear optical studies of the mesophases of liquid crystals, we then review various liquid crystalline materials and structures, and their nonlinear optical properties. Emphasis is placed on the nematic phase, which best exemplifies the dual nature of liquid crystals, although frequent references to other phases are also made. We also delve into recent work on novel structures such as photonic crystals, metamaterials and nanostructures and their special characteristics and emergent properties. The mechanisms and complex nonlocal dynamics of optical nonlinearities associated with laser induced director axis reorientation, thermal, density, and order parameter fluctuations, space charge field formation and photorefractivity are critically reviewed as a foundation for the discussions of various nonlinear optical processes detailed in this paper

  13. Lateral topological crystalline insulator heterostructure

    Science.gov (United States)

    Sun, Qilong; Dai, Ying; Niu, Chengwang; Ma, Yandong; Wei, Wei; Yu, Lin; Huang, Baibiao

    2017-06-01

    The emergence of lateral heterostructures fabricated by two-dimensional building blocks brings many exciting realms in material science and device physics. Enriching available nanomaterials for creating such heterostructures and enabling the underlying new physics is highly coveted for the integration of next-generation devices. Here, we report a breakthrough in lateral heterostructure based on the monolayer square transition-metal dichalcogenides MX2 (M  =  W, X  =  S/Se) modules. Our results reveal that the MX2 lateral heterostructure (1S-MX2 LHS) can possess excellent thermal and dynamical stability. Remarkably, the highly desired two-dimensional topological crystalline insulator phase is confirmed by the calculated mirror Chern number {{n}\\text{M}}=-1 . A nontrivial band gap of 65 meV is obtained with SOC, indicating the potential for room-temperature observation and applications. The topologically protected edge states emerge at the edges of two different nanoribbons between the bulk band gap, which is consistent with the mirror Chern number. In addition, a strain-induced topological phase transition in 1S-MX2 LHS is also revealed, endowing the potential utilities in electronics and spintronics. Our predictions not only introduce new member and vitality into the studies of lateral heterostructures, but also highlight the promise of lateral heterostructure as appealing topological crystalline insulator platforms with excellent stability for future devices.

  14. The influence of renewable and non-renewable energy consumption and real income on CO2 emissions in the USA: evidence from structural break tests.

    Science.gov (United States)

    Dogan, Eyup; Ozturk, Ilhan

    2017-04-01

    The objective of this study is to explore the influence of the real income (GDP), renewable energy consumption and non-renewable energy consumption on carbon dioxide (CO 2 ) emissions for the United States of America (USA) in the environmental Kuznets curve (EKC) model for the period 1980-2014. The Zivot-Andrews unit root test with a structural break and the Clemente-Montanes-Reyes unit root test with a structural break report that the analyzed variables become stationary at first-differences. The Gregory-Hansen cointegration test with a structural break and the bounds testing for cointegration in the presence of a structural break show CO 2 emissions, the real income, the quadratic real income, renewable and non-renewable energy consumption are cointegrated. The long-run estimates obtained from the ARDL model indicate that increases in renewable energy consumption mitigate environmental degradation whereas increases in non-renewable energy consumption contribute to CO 2 emissions. In addition, the EKC hypothesis is not valid for the USA. Since we use time-series econometric approaches that account for structural break in the data, findings of this study are robust, reliable and accurate. The US government is advised to put more weights on renewable sources in energy mix, to support and encourage the use and adoption of renewable energy and clean technologies, and to increase the public awareness of renewable energy for lower levels of emissions.

  15. Amorphous FeCoSiB for exchange bias coupled and decoupled magnetoelectric multilayer systems: Real-structure and magnetic properties

    International Nuclear Information System (INIS)

    Hrkac, V.; Strobel, J.; Kienle, L.; Lage, E.; Köppel, G.; McCord, J.; Quandt, E.; Meyners, D.

    2014-01-01

    The effect of field annealing for exchanged biased multilayer films is studied with respect to the resultant structural and magnetic film properties. The presented multilayer stacks comprise repeating sequences of Ta/Cu/(1 1 1) textured antiferromagnetic Mn 70 Ir 30 /amorphous ferromagnetic Fe 70.2 Co 7.8 Si 12 B 10 . Within the ferromagnetic layers crystalline filaments are observed. An additional Ta layer between the antiferromagnet and ferromagnet is used in order to investigate and separate the influence of the common Mn 70 Ir 30 /Fe 70.2 Co 7.8 Si 12 B 10 interface on the occurring filaments and structural changes. In situ and ex situ transmission electron microscopy is used for a comprehensive structure characterization of multilayer stacks for selected temperature stages. Up to 250 °C, the multilayers are structurally unaltered and preserve the as-deposited condition. A deliberate increase to 350 °C exhibits different crystallization processes for the films, depending on the presence of crystal nuclei within the amorphous ferromagnetic layer. The influence of volume-to-surface ratio of the multilayer stacks to the crystallization process is emphasized by the comparison of in situ and ex situ investigations as the respective specimen thickness is changed. Complementary magnetic studies reveal a defined exchange bias obtained at the first annealing step and a decrease of total anisotropy field with partial crystallization after the subsequent annealing at 350 °C.

  16. Renewable and nonrenewable energy consumption, real GDP and CO2 emissions nexus: a structural VAR approach in Pakistan

    OpenAIRE

    Muhammad, Shahbaz Shabbir; Muhammad, Zeshan; Muhammad, Shahbaz

    2011-01-01

    Any rise in real GDP crafts higher energy demand in Pakistan. This short-term rising energy requirement is fulfilled with the help of nonrenewable and renewable energy consumption, but nonrenewable energy consumption adds more in it. The rise in nonrenewable energy consumption lifts real GDP up in short-run. Forecast error variance decomposition illustrates nonrenewable energy consumption alone passes 87% variation in the CO2 emissions. This verifies fossil fuels are accountable for environme...

  17. Nanodefects in ultrahard crystalline cubic boron nitride

    International Nuclear Information System (INIS)

    Nistor, S. V.; Stefan, M.; Goovaerts, E.; Schoemaker, D.

    2002-01-01

    deconvolution of the observed spectra resulted in the identification of two component lines, called A1 and A2 (from amber), with distinct spectral properties. The linewidth of both narrow A1 line and broader A2 line strongly decreases with the temperature decrease from RT down to 50 K. Moreover, in this temperature range the lineshape changes from Lorentzian to Gaussian. At lower temperatures the linewidth of both component lines remains almost constant and Gaussian in shape. The EPR spectrum of amber colored cBN crystalline powders measured in the X-band at RT (a) and low temperature (b) as well the two component lines resulting from the numerical deconvolution of the spectrum. The distinct linewidth temperature induced lineshape and microwave power saturation variation behavior of the two component lines strongly suggests the existence in the amber colored cBN crystals of two distinct paramagnetic point defects (nanodefects), which are responsible for the two components, called A1 and A2. The lineshape temperature dependence can be explained by the dominant contribution at low temperatures of an unresolved hyperfine structure with the nonzero nuclear moments ( 14 N, 10 B and 11 B) of the lattice atoms. High frequency (95 GHz) EPR measurements on amber colored cBN single crystals, which are now in progress, may result in the observation of resolved hyperfine structures, essential in determining the atomic structure of the two nanodefects in correlation with theoretical studies concerning the stability and electron configuration of the native defects in cBN. (authors)

  18. Implicit Real Vector Automata

    Directory of Open Access Journals (Sweden)

    Jean-François Degbomont

    2010-10-01

    Full Text Available This paper addresses the symbolic representation of non-convex real polyhedra, i.e., sets of real vectors satisfying arbitrary Boolean combinations of linear constraints. We develop an original data structure for representing such sets, based on an implicit and concise encoding of a known structure, the Real Vector Automaton. The resulting formalism provides a canonical representation of polyhedra, is closed under Boolean operators, and admits an efficient decision procedure for testing the membership of a vector.

  19. Anisotropy-based crystalline oxide-on-semiconductor material

    Science.gov (United States)

    McKee, Rodney Allen; Walker, Frederick Joseph

    2000-01-01

    A semiconductor structure and device for use in a semiconductor application utilizes a substrate of semiconductor-based material, such as silicon, and a thin film of a crystalline oxide whose unit cells are capable of exhibiting anisotropic behavior overlying the substrate surface. Within the structure, the unit cells of the crystalline oxide are exposed to an in-plane stain which influences the geometric shape of the unit cells and thereby arranges a directional-dependent quality of the unit cells in a predisposed orientation relative to the substrate. This predisposition of the directional-dependent quality of the unit cells enables the device to take beneficial advantage of characteristics of the structure during operation. For example, in the instance in which the crystalline oxide of the structure is a perovskite, a spinel or an oxide of similarly-related cubic structure, the structure can, within an appropriate semiconductor device, exhibit ferroelectric, piezoelectric, pyroelectric, electro-optic, ferromagnetic, antiferromagnetic, magneto-optic or large dielectric properties that synergistically couple to the underlying semiconductor substrate.

  20. [fs-Lentotomy: presbyopia reversal by generating gliding planes inside the crystalline lens].

    Science.gov (United States)

    Lubatschowski, H; Schumacher, S; Wegener, A; Fromm, M; Oberheide, U; Hoffmann, H; Gerten, G

    2009-12-01

    Based on the Helmholtz theory for accommodation, increasing sclerosis of the lens nucleus and cortex is the main cause for the development of presbyopia. Existing therapies, however, do not reverse the stiffness of the crystalline lens and thus do not regain real accommodation ability. A new approach to restore the flexibility of the lens has been realised by utilising the non-linear interaction of ultrafast laser pulses with transparent tissue, the so-called photodisruption. This process has been used to create micro-incisions which act as gliding planes inside the crystalline lens without opening the eye globe. This treatment method, known as fs-lentotomy, enables regeneration of real dynamic accommodation. For the first time, 3D structures for gliding planes were successfully generated in experiments with human donor lenses of different ages. An average increase in anterior-posterior lens thickness of 100 mum accompanied by a decrease of equatorial lens diameter was observed as a direct consequence of fs-lentotomy. This is attributed to the increased flexibility, as the force of the capsule bag moulds the lens tissue more spherically. Moreover, in vivo experiments on rabbit eye lenses did not induce an increasing opacification (cataract) over a six-month follow-up period. However, the incisions were still detectable using Scheimpflug imaging and histopathological techniques, although the visibility of the incisions was declining. Furthermore, no side effects were observed during the wound healing process and during a six-months follow-up period. Based on these findings fs-lentotomy might have the potential to become a procedure for the reversal of presbyopia. Copyright Georg Thieme Verlag KG Stuttgart . New York.

  1. Schottky spectra and crystalline beams

    International Nuclear Information System (INIS)

    Pestrikov, D.V.

    1996-01-01

    In this paper we revise the current dependence of the Schottky noise power of a cooled proton beam previously measured at NAP-M. More careful study of experimental data indicates a linear decrease in the inverse Schottky noise power with an increase in the beam intensity (N). The root of this function determines a threshold current which occurs at N = N th ≅1.2 x 10 8 particles. The inspection of measured Schottky spectra shows that this threshold does not correspond to some collective instability of the measured harmonic of the linear beam density. The found value of N th does not depend on the longitudinal beam temperature. For the case of NAP-M lattice, the study of the spectral properties of the Schottky noise in the crystalline string predicts the current dependence of the equilibrium momentum spread of the beam, which qualitatively agrees with that, recalculated from the NAP-M data. (orig.)

  2. Quantum vibrational polarons: Crystalline acetanilide revisited

    Science.gov (United States)

    Hamm, Peter; Edler, Julian

    2006-03-01

    We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

  3. A Note on Federal Budget Deficits and the Term Structure of Real Interest Rates in the United States

    OpenAIRE

    Cebula, Richard

    1990-01-01

    Using quarterly data and dealing with the ex post real rates on three month U.S. Treasury bills and 20 year U.S. Treasury bonds, this empirical note has estimated an IS-LM based regression by 2SLS. The results indicate that the budget deficit raises the slope of the yield curve. Furthermore, to the extent that private sector capital formation is sensitive to longer term real interest rates in the United States, federal budget deficits lead to crowding out of private investment and hence to sl...

  4. Estimating forest structural characteristics using the airborne LiDAR scanning system and a near-real time profiling laser system

    Science.gov (United States)

    Zhao, Kaiguang

    LiDAR (Light Detection and Ranging) directly measures canopy vertical structures, and provides an effective remote sensing solution to accurate and spatially-explicit mapping of forest characteristics, such as canopy height and Leaf Area Index. However, many factors, such as large data volume and high costs for data acquisition, precludes the operational and practical use of most currently available LiDARs for frequent and large-scale mapping. At the same time, a growing need is arising for real-time remote sensing platforms, e.g., to provide timely information for urgent applications. This study aims to develop an airborne profiling LiDAR system, featured with on-the-fly data processing, for near real- or real-time forest inventory. The development of such a system involves implementing the on-board data processing and analysis as well as building useful regression-based models to relate LiDAR measurements with forest biophysical parameters. This work established a paradigm for an on-the-fly airborne profiling LiDAR system to inventory regional forest resources in real- or near real-time. The system was developed based on an existing portable airborne laser system (PALS) that has been previously assembled at NASA by Dr. Ross Nelson. Key issues in automating PALS as an on-the-fly system were addressed, including the design of an archetype for the system workflow, the development of efficient and robust algorithms for automatic data processing and analysis, the development of effective regression models to predict forest biophysical parameters from LiDAR measurements, and the implementation of an integrated software package to incorporate all the above development. This work exploited the untouched potential of airborne laser profilers for real-time forest inventory, and therefore, documented an initial step toward developing airborne-laser-based, on-the-fly, real-time, forest inventory systems. Results from this work demonstrated the utility and effectiveness of

  5. Effectiveness of structured, hospital-based, nurse-led atrial fibrillation clinics: a comparison between a real-world population and a clinical trial population.

    Science.gov (United States)

    Qvist, Ina; Hendriks, Jeroen M L; Møller, Dorthe S; Albertsen, Andi E; Mogensen, Helle M; Oddershede, Gitte D; Odgaard, Annette; Mortensen, Leif Spange; Johnsen, Søren Paaske; Frost, Lars

    2016-01-01

    A previous randomised trial showed that structured, nurse-led atrial fibrillation (AF) care is superior to conventional AF care, although further research is needed to determine the outcomes of such care in a real-world setting. We compared the outcomes of patients in real-world, nurse-led, structured hospital AF clinics with the outcomes of a randomised trial of the efficacy of a nurse-led AF clinic, with respect to a composite outcome of cardiovascular-related hospitalisation and death. All patients were referred to the AF nurse specialist by cardiologists. The AF nurse specialist provided patient education, risk-factor control and stimulated empowerment and compliance. During follow-up, treatment was adjusted according to clinical guidelines. Patient education was repeated, and compliance with medical treatment was controlled. The study size was powered as a non-inferiority study. Outcome measures were adjudicated by the same principles in both cohorts. A total of 596 patients from the real world and 356 patients from a clinical trial were included in this study. No significant difference between groups with respect to age, type of AF or CHA2DS2VASc score was found. The composite primary end point occurred with an incidence rate of 8.0 (95% CI 6.1 to 10.4) per 100 person-years in the real-world population and 8.3 (95% CI 6.3 to 10.9) per 100 person-years in the clinical trial, with a crude HR of 0.83 (95% CI 0.56 to 1.23). Structured, nurse-led, hospital-based AF care appears to be effective, and patient outcomes in an actual, hospital-based, structured AF care are as least as good as those in trial settings.

  6. In-situ real-time x-ray scattering for probing the processing-structure-performance relation

    KAUST Repository

    Smilgies, Detlef-M.

    2014-01-01

    © 2014 Materials Research Society. In-situ X-ray scattering methodology is discussed, in order to analyze the microstructure development of soft functional materials during coating, annealing, and drying processes in real-time. The relevance of a fundamental understanding of coating processes for future industrial production is pointed out.

  7. Development of highly porous crystalline titania photocatalysts

    Science.gov (United States)

    Marszewski, Michal

    The objectives of this dissertation are the design, synthesis, and characterization of titania materials with surface area, porosity, crystallinity and doping tailored toward photocatalytic applications. Ultimately, the research should result in a strategy allowing the synthesis of titania with all these important features. The synthetic methods investigated in this research will include: i) soft-templating, ii) hard-templating, and iii) modified precursor strategy. Soft-templating strategy uses organic templates--either block copolymers or surfactants--that under specific conditions assemble into micelles, and later, these micelles are used to template the desired material around them. The resulting organic-inorganic composite is then calcined in air to remove the organic template and recover the final material with high surface area and large pore volume. This work explores 1) synthesis of titania materials in the presence of polymer templates, and the effects of different synthetic conditions on the structure of the resulting materials. Hard-templating, in contrast to soft-templating, uses inorganic templates. The hard template is introduced during the synthesis to cast its shape onto the fabricated material and removed afterwards, when the material has formed. The final material is an inverse replica of the hard template used, typically with a well-developed mesostructure. This work explores 1) hard templating synthesis of titania materials using silica and alumina, and 2) the effects of the template amount and type. The modified precursor strategy is a novel synthetic method, developed in this research, and designed specifically to achieve titania material with high surface area, large pore volume, high crystallinity, and possibly doping. The modified precursors are prepared by reacting generic titania precursors, such as titanium isopropoxide (TIPO), with organic acids, which results in substitution of some or all alkoxide groups in TIPO structure. The goal

  8. Crystalline Repository Project: Technical progress report for the period October 1, 1982--May 28, 1986

    International Nuclear Information System (INIS)

    1988-11-01

    This document reports the progress made on the development of a second geologic repository in crystalline rocks during the duration of the Crystalline Repository Project from its inception in October 1982 to its termination in May 1986. The reporting elements are arranged by the work breakdown structure so that related studies are presented together. The studies are reported by the Office of Waste Technology Development (OWTD), successor to the Office of Crystalline Repository Development. OWTD is a prime contractor of the US Department of Energy (DOE) Repository Technology Program Office, itself the successor to the Crystalline Repository Project Office. The studies include work by other DOE prime contractors and by contractors to the Office of Crystalline Repository Development. 151 refs

  9. Damage characterization for particles filled semi-crystalline polymer

    Directory of Open Access Journals (Sweden)

    Lauro Franck

    2015-01-01

    Full Text Available Damage evolution and characterization in semi-crystalline polymer filled with particles under various loadings is still a challenge. A specific damage characterization method using Digital Image Correlation is proposed for a wide range of strain rates considering tensile tests with hydraulic jacks as well as Hopkinson's bars. This damage measurement is obtained by using and adapting the SEE method [1] which was developed to characterize the behaviour laws at constant strain rates of polymeric materials in dynamic. To validate the characterization process, various damage measurement techniques are used under quasi-static conditions before to apply the procedure in dynamic. So, the well-known damage characterization by loss of stiffness technique under quasi-static loading is applied to a polypropylene. In addition, an in-situ tensile test, carried out in a microtomograph, is used to observe the cavitation phenomenon in real time. A good correlation is obtained between all these techniques and consequently the proposed technique is supposed suitable for measuring the ductile damage observed in semi-crystalline polymers under dynamic loading. By applying it to the semi-crystalline polymer at moderate and high speed loadings, the damage evolution is measured and it is observed that the damage evolution is not strain rate dependent but the failure strain on the contrary is strain rate dependent.

  10. Reversal of the lattice structure in SrCoOx epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations

    OpenAIRE

    Choi, Woo Seok; Jeen, Hyoungjeen; Lee, Jun Hee; Seo, S. S. Ambrose; Cooper, Valentino R.; Rabe, Karin M.; Lee, Ho Nyung

    2013-01-01

    Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoOx (x = 2.5 - 3) epitaxial thin films. Drastically different electronic ground states, which are extremely susceptible to the oxygen content x, are found in the two topotactic phases, i.e. the brownmillerite SrCoO2.5 and the perovskite SrCoO3. First principles calculations confirmed substantial differences in the electronic structure, including a metal-insulator tran...

  11. On the relevance of the micromechanics approach for predicting the linear viscoelastic behavior of semi-crystalline poly(ethylene)terephtalates (PET)

    International Nuclear Information System (INIS)

    Diani, J.; Bedoui, F.; Regnier, G.

    2008-01-01

    The relevance of micromechanics modeling to the linear viscoelastic behavior of semi-crystalline polymers is studied. For this purpose, the linear viscoelastic behaviors of amorphous and semi-crystalline PETs are characterized. Then, two micromechanics modeling methods, which have been proven in a previous work to apply to the PET elastic behavior, are used to predict the viscoelastic behavior of three semi-crystalline PETs. The microstructures of the crystalline PETs are clearly defined using WAXS techniques. Since microstructures and mechanical properties of both constitutive phases (the crystalline and the amorphous) are defined, the simulations are run without adjustable parameters. Results show that the models are unable to reproduce the substantial decrease of viscosity induced by the increase of crystallinity. Unlike the real materials, for moderate crystallinity, both models show materials of viscosity nearly identical to the amorphous material

  12. Fingerprinting analysis of non-crystalline pharmaceutical compounds using high energy X-rays and the total scattering pair distribution function

    Science.gov (United States)

    Davis, Timur D.

    2011-12-01

    In the development of new medicinal products, poor oral bioavailability, due to the low solubilities of many active pharmaceutical ingredients (APIs), is increasingly a barrier for treatments to be administered using tablet or capsule formulations and one of the main challenges facing the pharmaceutical industry. Non-crystalline phases such as the amorphous and nanostructured states can confer increased solubility to a drug, and therefore, have recently garnered a lot of interest from pharmaceutical researchers. However, little is known about local ordering in non-crystalline pharmaceuticals due to the lack of reliable experimental probes, hindering the clinical application of these compounds. The powerful tools of crystallography begin to lose their potency for structures on the nanoscale; conventional X-ray powder diffraction (XRPD) patterns become broad and featureless in these cases and are not useful for differentiating between different local molecular packing arrangements. In this thesis, we introduce the use of high energy X-rays coupled with total scattering pair distribution function (TSPDF) and fingerprinting analysis to investigate the local structures of non-crystalline pharmaceutical compounds. The high energy X-rays allow us to experimentally collect diffuse scattering intensities, which contain information about a sample's local ordering, in addition to the Bragg scattering available in conventional XRPD experiments, while the TSPDF allows us to view the intra- and inter-molecular correlations in real space. The goal of this study was to address some fundamental problems involving fingerprinting non-crystalline APIs using TSPDF in order to lay the groundwork for the proper use of the technique by the pharmaceutical community. We achieved this by developing the methodology as well as the exploring the scientific implications. On the methodology side, we introduced PDFGetX3, a new software program for calculating TSPDFs that simplifies the procedure

  13. A fully packaged micromachined single crystalline resonant force sensor

    Energy Technology Data Exchange (ETDEWEB)

    Cavalloni, C.; Gnielka, M.; Berg, J. von [Kistler Instrumente AG, Winterthur (Switzerland); Haueis, M.; Dual, J. [ETH Zuerich, Inst. of Mechanical Systems, Zuerich (Switzerland); Buser, R. [Interstate Univ. of Applied Science Buchs, Buchs (Switzerland)

    2001-07-01

    In this work a fully packaged resonant force sensor for static load measurements is presented. The working principle is based on the shift of the resonance frequency in response to the applied load. The heart of the sensor, the resonant structure, is fabricated by micromachining using single crystalline silicon. To avoid creep and hysteresis and to minimize temperature induced stress the resonant structure is encapsulated using an all-in-silicon solution. This means that the load coupling, the excitation of the microresonator and the detection of the oscillation signal are integrated in only one single crystalline silicon chip. The chip is packaged into a specially designed housing made of steel which has been designed with respect to application in harsh environments. The unloaded sensor has an initial frequency of about 22,5 kHz. The sensitivity amounts to 26 Hz/N with a linearity error significantly less than 0,5%FSO. (orig.)

  14. A crystalline cluster method for deep impurities in insulators

    International Nuclear Information System (INIS)

    Guimaraes, P.S.

    1983-01-01

    An 'ab initio' self-consistent-field crystalline-cluster approach to the study of deep impurity states in insulators is proposed. It is shown that, in spite of being a cluster calculation, the interaction of the impurity with the crystal environment is fully taken into account. It is also shown that the present representation of the impurity states is, at least, as precise as the crystalline cluster representation of the pure crystal electronic structure. The procedure has been tested by performing the calculation of the electronic structure of the U center in a sodium chloride crystal, and it has been observed that the calculated GAMMA 1 - GAMMA 15 absorption energy is in good agreement with experiment. (Author) [pt

  15. A review of numerical techniques approaching microstructures of crystalline rocks

    Science.gov (United States)

    Zhang, Yahui; Wong, Louis Ngai Yuen

    2018-06-01

    The macro-mechanical behavior of crystalline rocks including strength, deformability and failure pattern are dominantly influenced by their grain-scale structures. Numerical technique is commonly used to assist understanding the complicated mechanisms from a microscopic perspective. Each numerical method has its respective strengths and limitations. This review paper elucidates how numerical techniques take geometrical aspects of the grain into consideration. Four categories of numerical methods are examined: particle-based methods, block-based methods, grain-based methods, and node-based methods. Focusing on the grain-scale characters, specific relevant issues including increasing complexity of micro-structure, deformation and breakage of model elements, fracturing and fragmentation process are described in more detail. Therefore, the intrinsic capabilities and limitations of different numerical approaches in terms of accounting for the micro-mechanics of crystalline rocks and their phenomenal mechanical behavior are explicitly presented.

  16. Phosphorylation of αB-crystallin: Role in stress, aging and patho-physiological conditions.

    Science.gov (United States)

    Bakthisaran, Raman; Akula, Kranthi Kiran; Tangirala, Ramakrishna; Rao, Ch Mohan

    2016-01-01

    αB-crystallin, once thought to be a lenticular protein, is ubiquitous and has critical roles in several cellular processes that are modulated by phosphorylation. Serine residues 19, 45 and 59 of αB-crystallin undergo phosphorylation. Phosphorylation of S45 is mediated by p44/42 MAP kinase, whereas S59 phosphorylation is mediated by MAPKAP kinase-2. Pathway involved in S19 phosphorylation is not known. The review highlights the role of phosphorylation in (i) oligomeric structure, stability and chaperone activity, (ii) cellular processes such as apoptosis, myogenic differentiation, cell cycle regulation and angiogenesis, and (iii) aging, stress, cardiomyopathy-causing αB-crystallin mutants, and in other diseases. Depending on the context and extent of phosphorylation, αB-crystallin seems to confer beneficial or deleterious effects. Phosphorylation alters structure, stability, size distribution and dynamics of the oligomeric assembly, thus modulating chaperone activity and various cellular processes. Phosphorylated αB-crystallin has a tendency to partition to the cytoskeleton and hence to the insoluble fraction. Low levels of phosphorylation appear to be protective, while hyperphosphorylation has negative implications. Mutations in αB-crystallin, such as R120G, Q151X and 464delCT, associated with inherited myofibrillar myopathy lead to hyperphosphorylation and intracellular inclusions. An ongoing study in our laboratory with phosphorylation-mimicking mutants indicates that phosphorylation of R120GαB-crystallin increases its propensity to aggregate. Phosphorylation of αB-crystallin has dual role that manifests either beneficial or deleterious consequences depending on the extent of phosphorylation and interaction with cytoskeleton. Considering that disease-causing mutants of αB-crystallin are hyperphosphorylated, moderation of phosphorylation may be a useful strategy in disease management. This article is part of a Special Issue entitled Crystallin

  17. Electrochemical synthesis of self-organized TiO2 crystalline nanotubes without annealing

    Science.gov (United States)

    Giorgi, Leonardo; Dikonimos, Theodoros; Giorgi, Rossella; Buonocore, Francesco; Faggio, Giuliana; Messina, Giacomo; Lisi, Nicola

    2018-03-01

    This work demonstrates that upon anodic polarization in an aqueous fluoride-containing electrolyte, TiO2 nanotube array films can be formed with a well-defined crystalline phase, rather than an amorphous one. The crystalline phase was obtained avoiding any high temperature annealing. We studied the formation of nanotubes in an HF/H2O medium and the development of crystalline grains on the nanotube wall, and we found a facile way to achieve crystalline TiO2 nanotube arrays through a one-step anodization. The crystallinity of the film was influenced by the synthesis parameters, and the optimization of the electrolyte composition and anodization conditions (applied voltage and time) were carried out. For comparison purposes, crystalline anatase TiO2 nanotubes were also prepared by thermal treatment of amorphous nanotubes grown in an organic bath (ethylene glycol/NH4F/H2O). The morphology and the crystallinity of the nanotubes were studied by field emission gun-scanning electron microscopy (FEG-SEM) and Raman spectroscopy, whereas the electrochemical and semiconducting properties were analyzed by means of linear sweep voltammetry, impedance spectroscopy, and Mott-Schottky plots. X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) allowed us to determine the surface composition and the electronic structure of the samples and to correlate them with the electrochemical data. The optimal conditions to achieve a crystalline phase with high donor concentration are defined.

  18. Glass-crystalline materials for active waste incorporation

    International Nuclear Information System (INIS)

    Kulichenko, V.V.; Krylova, N.V.; Vlasov, V.I.; Polyakov, A.S.

    1979-01-01

    This paper presents the results of investigations into the possibility and conditions for using glass-crystalline materials for the incorporation of radionuclides. Materials of a cast pyroxene type that are obtained by smelting calcined wastes with acid blast furnace slags are described. A study was also made of materials of a basalt type prepared from wastes with and without alkali metal salt. Changes in the structure and properties of materials in the process of storage at different temperatures have been studied

  19. Side-chain liquid crystalline polyesters for optical information storage

    DEFF Research Database (Denmark)

    Ramanujam, P.S.; Holme, Christian; Hvilsted, Søren

    1996-01-01

    and holographic storage in one particular polyester are described in detail and polarized Fourier transform infrared spectroscopic data complementing the optical data are presented. Optical and atomic force microscope investigations point to a laser-induced aggregation as responsible for permanent optical storage.......Azobenzene side-chain liquid crystalline polyester structures suitable for permanent optical storage are described. The synthesis and characterization of the polyesters together with differential scanning calorimetry and X-ray investigations are discussed. Optical anisotropic investigations...

  20. Crystalline silicotitanate gate review analysis

    International Nuclear Information System (INIS)

    Schlahta, S.N.; Carreon, R.; Gentilucci, J.A.

    1997-11-01

    Crystalline silicotitanate (CST) is an ion-exchange method for removing radioactive cesium from tank waste to allow the separation of the waste into high- and low-level fractions. The CST, originally developed Sandia National Laboratories personnel in association with Union Oil Products Corporation, has both a high affinity and selectivity for sorbing cesium-137 from highly alkaline or acidic solutions. For several years now, the U.S. Department of Energy has funded work to investigate applying CST to large-scale removal of cesium-137 from radioactive tank wastes. In January 1997, an expert panel sponsored by the Tanks Focus Area met to review the current state of the technology and to determine whether it was ready for routine use. The review also sought to identify any technical issues that must be resolved or additional CST development that must occur before full implementation by end-users. The CST Gate Review Group concluded that sufficient work has been done to close developmental work on CST and turn the remaining site-specific tasks over to the users. This report documents the review group''s findings, issues, concerns, and recommendations as well as responses from the Tanks Focus Area expert staff to specific pretreatment and immobilization issues

  1. The Small Heal Shock Protein αA-Crystallin Is Expressed In Pancreas and Acts as Negative Regulator of Carcinogenesis

    OpenAIRE

    Deng , Mi; Chen , Pei-Chao; Xie , Sisi; Zhao , Junqiong; Gong , Lili; Liu , Jinping; Zhang , Lan; Sun , Shuming; Liu , Jiao; Ma , Haili; Batra , Surinder; Li , David Wan-Cheng

    2010-01-01

    Abstract The small heat shock protein ?A-crystallin is a structural protein in the ocular lens. In addition, recent studies have also revealed that it is a molecular chaperone, an autokinase and a strong anti-apoptotic regulator. Besides its lenticular distribution, a previous study demonstrates that a detectable level of ?A-crystallin is found in other tissues including thymus and spleen. In the present study, we have re-examined the distribution of ?A-crystallin in various normal...

  2. Real parabolic vector bundles over a real curve

    Indian Academy of Sciences (India)

    Abstract. We define real parabolic structures on real vector bundles over a real curve. Let (X,σX ) be a real curve, and let S ⊂ X be a non-empty finite subset of X such that σX (S) = S. Let N ≥ 2 be an integer. We construct an N-fold cyclic cover p : Y → X in the category of real curves, ramified precisely over each point of S, ...

  3. Trilayered Morphology of an ABC Triple Crystalline Triblock Terpolymer

    KAUST Repository

    Palacios, Jordana K.

    2017-09-07

    Triple crystalline triblock terpolymers are materials with remarkable semicrystalline superstructures. In this work, we report for first time the alternating triple lamellar morphology that self-assembles inside spherulites of a triblock terpolymer composed of poly(ethylene oxide) (PEO), poly(ε-caprolactone) (PCL), and poly(l-lactide) (PLLA). The morphology of the PEO-b-PCL-b-PLLA triblock terpolymer is compared to an analogous PCL-b-PLLA diblock copolymer. Both diblock and triblock form a single phase in the melt. Two crystallization protocols were employed to create particular crystalline morphologies. In both cases, the isothermal crystallization of the PLA block is induced first (at 81 °C, a temperature above the melting points of both PCL and PEO blocks) and PLLA spherulites form a template, whereupon cooling the other two blocks can crystallize within the PLLA interlamellar spaces. WAXS analysis demonstrated the double crystalline and triple crystalline nature of the materials. The lamellar structure was evaluated by AFM observations and SAXS measurements. Moreover, theoretical SAXS curves of one-dimensional structural models were calculated. AFM micrographs of the triblock terpolymer evidenced the three different lamellae of PLLA, PCL and PEO that coexist together within the same spherulite. Three different lamellar thickness were determined, and their dimensions suggested that all blocks crystallized in chain-folded conformations. The evolution of the triple lamellar morphology during heating of tricrystalline samples was followed by in situ synchrotron SAXS measurements. The theoretical analysis of the SAXS curves of the triblock terpolymer allowed us to propose a stacking morphological model, in which a particular trilayer structure exists, where one lamella of PCL or one lamella of PEO is inserted randomly between two adjacent PLLA lamellae.

  4. Hydraulic testing in crystalline rock

    International Nuclear Information System (INIS)

    Almen, K.E.; Andersson, J.E.; Carlsson, L.; Hansson, K.; Larsson, N.A.

    1986-12-01

    Swedish Geolocical Company (SGAB) conducted and carried out single-hole hydraulic testing in borehole Fi 6 in the Finnsjoen area of central Sweden. The purpose was to make a comprehensive evaluation of different methods applicable in crystalline rocks and to recommend methods for use in current and scheduled investigations in a range of low hydraulic conductivity rocks. A total of eight different methods of testing were compared using the same equipment. This equipment was thoroughly tested as regards the elasticity of the packers and change in volume of the test section. The use of a hydraulically operated down-hole valve enabled all the tests to be conducted. Twelve different 3-m long sections were tested. The hydraulic conductivity calculated ranged from about 5x10 -14 m/s to 1x10 -6 m/s. The methods used were water injection under constant head and then at a constant rate-of-flow, each of which was followed by a pressure fall-off period. Water loss, pressure pulse, slug and drill stem tests were also performed. Interpretation was carried out using standard transient evaluation methods for flow in porous media. The methods used showed themselves to be best suited to specific conductivity ranges. Among the less time-consuming methods, water loss, slug and drill stem tests usually gave somewhat higher hydraulic conductivity values but still comparable to those obtained using the more time-consuming tests. These latter tests, however, provided supplementary information on hydraulic and physical properties and flow conditions, together with hydraulic conductivity values representing a larger volume of rock. (orig./HP)

  5. Reversal of the Lattice Structure in SrCoOx Epitaxial Thin Films Studied by Real-Time Optical Spectroscopy and First-Principles Calculations

    Science.gov (United States)

    Choi, Woo Seok; Jeen, Hyoungjeen; Lee, Jun Hee; Seo, S. S. Ambrose; Cooper, Valentino R.; Rabe, Karin M.; Lee, Ho Nyung

    2013-08-01

    Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoOx (x=2.5-3) epitaxial thin films. Drastically different electronic ground states, which are extremely susceptible to the oxygen content x, are found in the two topotactic phases: i.e., the brownmillerite SrCoO2.5 and the perovskite SrCoO3. First-principles calculations confirmed substantial differences in the electronic structure, including a metal-insulator transition, which originate from the modification in the Co valence states and crystallographic structures. More interestingly, the two phases can be reversibly controlled by changing the ambient pressure at greatly reduced temperatures. Our finding provides an important pathway to understanding the novel oxygen-content-dependent phase transition uniquely found in multivalent transition metal oxides.

  6. Reversal of the lattice structure in SrCoO(x) epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations.

    Science.gov (United States)

    Choi, Woo Seok; Jeen, Hyoungjeen; Lee, Jun Hee; Seo, S S Ambrose; Cooper, Valentino R; Rabe, Karin M; Lee, Ho Nyung

    2013-08-30

    Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoO(x) (x=2.5-3) epitaxial thin films. Drastically different electronic ground states, which are extremely susceptible to the oxygen content x, are found in the two topotactic phases: i.e., the brownmillerite SrCoO2.5 and the perovskite SrCoO3. First-principles calculations confirmed substantial differences in the electronic structure, including a metal-insulator transition, which originate from the modification in the Co valence states and crystallographic structures. More interestingly, the two phases can be reversibly controlled by changing the ambient pressure at greatly reduced temperatures. Our finding provides an important pathway to understanding the novel oxygen-content-dependent phase transition uniquely found in multivalent transition metal oxides.

  7. Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

    2000-01-01

    A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

  8. Amplifying (Im)perfection: The Impact of Crystallinity in Discrete and Disperse Block Co-oligomers.

    Science.gov (United States)

    van Genabeek, Bas; Lamers, Brigitte A G; de Waal, Bas F M; van Son, Martin H C; Palmans, Anja R A; Meijer, E W

    2017-10-25

    Crystallinity is seldomly utilized as part of the microphase segregation process in ultralow-molecular-weight block copolymers. Here, we show the preparation of two types of discrete, semicrystalline block co-oligomers, comprising an amorphous oligodimethylsiloxane block and a crystalline oligo-l-lactic acid or oligomethylene block. The self-assembly of these discrete materials results in lamellar structures with unforeseen uniformity in the domain spacing. A systematic introduction of dispersity reveals the extreme sensitivity of the microphase segregation process toward chain length dispersity in the crystalline block.

  9. Characterization of single crystalline ZnTe and ZnSe grown by vapor phase transport

    Energy Technology Data Exchange (ETDEWEB)

    Trigubo, A B; Di Stefano, M C [FRBA-UTN, (1179) Buenos Aires (Argentina); Aguirre, M H [Dpto de Quim Inorg, Fac de Cs Quim, Univ Complutense, (28040) Madrid (Spain); Martinez, A M; D' Elia, R; Canepa, H; Heredia, E, E-mail: atrigubo@citefa.gov.a [CINSO-CITEFA: (1603) Villa Martelli, Pcia de Buenos Aires (Argentina)

    2009-05-01

    Tubular furnaces were designed and built to obtain single crystalline ZnTe and ZnSe ingots using respectively physical and chemical transport methods. Different temperature profiles and growth rates were analyzed in order to optimize the necessary crystalline quality for device development. Optical and scanning electron micrographs of the corrosion figures produced by chemical etching were used to obtain the dislocation density and the misorientation between adjacent subgrains in ZnTe and ZnSe wafers. Structural quality of the single crystalline material was determined by transmission electronic microscopy. Optical transmittance was measured by infrared transmission spectrometry and the resulting values were compared to commercial samples.

  10. Goldstone bosons in a crystalline chiral phase

    Energy Technology Data Exchange (ETDEWEB)

    Schramm, Marco

    2017-07-24

    The phase diagram of strong interaction matter is expected to exhibit a rich structure. Different models have shown, that crystalline phases with a spatially varying chiral condensate can occur in the regime of low temperatures and moderate densities, where they replace the first-order phase transition found for spatially constant order parameters. We investigate this inhomogeneous phase, where in addition to the chiral symmetry, translational and rotational symmetry are broken as well, in a two flavor Nambu--Jona-Lasinio model. The main goal of this work is to describe the Goldstone bosons in this phase, massless excitations that occur for spontaneously broken symmetries. We take one of the simplest possible modulations, the chiral density wave, and show how to derive the quark propagator of the theory analytically, by means of transformations in chiral and momentum space. We apply this to a test case for the gap equation. We show the derivation of Nambu-Goldstone modes in the inhomogeneous phase and find, that for our case only three different modes have to be taken into account. We proceed to calculate the Goldstone boson related to the breaking of spatial symmetry, which can be related to the neutral pion. By evaluating a Bethe-Salpeter equation, we can show, that we have indeed found a Goldstone boson and give its dispersion relation in terms of momenta perpendicular, as well as parallel to the mass modulation.

  11. Goldstone bosons in a crystalline chiral phase

    International Nuclear Information System (INIS)

    Schramm, Marco

    2017-01-01

    The phase diagram of strong interaction matter is expected to exhibit a rich structure. Different models have shown, that crystalline phases with a spatially varying chiral condensate can occur in the regime of low temperatures and moderate densities, where they replace the first-order phase transition found for spatially constant order parameters. We investigate this inhomogeneous phase, where in addition to the chiral symmetry, translational and rotational symmetry are broken as well, in a two flavor Nambu--Jona-Lasinio model. The main goal of this work is to describe the Goldstone bosons in this phase, massless excitations that occur for spontaneously broken symmetries. We take one of the simplest possible modulations, the chiral density wave, and show how to derive the quark propagator of the theory analytically, by means of transformations in chiral and momentum space. We apply this to a test case for the gap equation. We show the derivation of Nambu-Goldstone modes in the inhomogeneous phase and find, that for our case only three different modes have to be taken into account. We proceed to calculate the Goldstone boson related to the breaking of spatial symmetry, which can be related to the neutral pion. By evaluating a Bethe-Salpeter equation, we can show, that we have indeed found a Goldstone boson and give its dispersion relation in terms of momenta perpendicular, as well as parallel to the mass modulation.

  12. Chaotic Fluid Mixing in Crystalline Sphere Arrays

    Science.gov (United States)

    Turuban, Regis; Lester, Daniel; Meheust, Yves; Le Borgne, Tanguy

    2017-11-01

    We study the Lagrangian dynamics of steady 3D Stokes flow over simple cubic (SC) and body-centered cubic (BCC) lattices of close-packed spheres, and uncover the mechanisms governing chaotic mixing. Due to the cusp-shaped sphere contacts, the topology of the skin friction field is fundamentally different to that of continuous (non-granular) media (e.g. open pore networks), with significant implications for fluid mixing. Weak symmetry breaking of the flow orientation with respect to the lattice symmetries imparts a transition from regular to strong chaotic mixing in the BCC lattice, whereas the SC lattice only exhibits weak mixing. Whilst the SC and BCC lattices share the same symmetry point group, these differences are explained in terms of their space groups, and we find that a glide symmetry of the BCC lattice generates chaotic mixing. These insights are used to develop accurate predictions of the Lyapunov exponent distribution over the parameter space of mean flow orientation, and point to a general theory of mixing and dispersion based upon the inherent symmetries of arbitrary crystalline structures. The authors acknowledge the support of ERC project ReactiveFronts (648377).

  13. Synthesis of crystalline ceramics for actinide immobilisation

    International Nuclear Information System (INIS)

    Burakov, B.; Gribova, V.; Kitsay, A.; Ojovan, M.; Hyatt, N.C.; Stennett, M.C.

    2007-01-01

    Methods for the synthesis of ceramic wasteforms for the immobilization of actinides are common to those for non-radioactive ceramics: hot uniaxial pressing (HUP); hot isostatic pressing (HIP); cold pressing followed by sintering; melting (for some specific ceramics, such as garnet/perovskite composites). Synthesis of ceramics doped with radionuclides is characterized with some important considerations: all the radionuclides should be incorporated into crystalline structure of durable host-phases in the form of solid solutions and no separate phases of radionuclides should be present in the matrix of final ceramic wasteform; all procedures of starting precursor preparation and ceramic synthesis should follow safety requirements of nuclear industry. Synthesis methods that avoid the use of very high temperatures and pressures and are easily accomplished within the environment of a glove-box or hot cell are preferable. Knowledge transfer between the V. G. Khlopin Radium Institute (KRI, Russia) and Immobilisation Science Laboratory (ISL, UK) was facilitated in the framework of a joint project supported by UK Royal Society. In order to introduce methods of precursor preparation and ceramic synthesis we selected well-known procedures readily deployable in radiochemical processing plants. We accounted that training should include main types of ceramic wasteforms which are currently discussed for industrial applications. (authors)

  14. Charge-density study of crystalline beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, R F [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Chemistry

    1977-01-01

    The X-ray structure factors for crystalline beryllium measured by Brown (Phil. Mag. (1972), 26, 1377) have been analyzed with multipole deformation functions for charge-density information. Single exponential radial functions were used for the valence charge density. A valence monopole plus the three harmonics, P/sup 3//sub 5/(cos theta) sin 3phi, P/sub 6/(cos theta) and P/sup 3//sub 7/(cos theta) sin 3phi, provide a least-squares fit to the data with Rsub(w)=0.0081. The superposition of these density functions describes a bonding charge density between Be atoms along the c axis through the tetrahedral vacancy. The results reported here are in qualitative agreement with a recent pseudo-potential calculation of metallic beryllium. The final residuals in the analysis are largest at high sin theta/lambda values. This suggests that core charge deformation is present and/or anharmonic motion of the nuclei is appreciable.

  15. Crystalline insoluble acid salts of tetravalent metals

    International Nuclear Information System (INIS)

    Alberti, G.; Bernasconi, M.G.; Casciola, M.; Costantino, U.

    1980-01-01

    Several titration curves of crystalline acid salts of tetravalent metals show an evident decrease in the pH of the supernatant solution with an increasing addition of metal hydroxide. This phenomenon, very unusual for common organic ion-exchangers, seems to be quite general for inorganic ion-exchangers with layered structure of α-type. In order to throw light on this phenomenon, a detailed investigation was carried out on the titration curves of α-Zr(HPO 4 ) 2 .H 2 O with various metal hydroxides, particularly KOH. To obtain the presence of a distinct minimum in the titration curve, three conditions seem to be necessary: (1) high activation energy for H + /Msup(Z+) exchange (which, in turn, depends on the relative size of Msup(Z+) and size of the windows connecting the cavities), (2) formation of solid solution having high M-content and (3) formation of a phase, with a large inter-layer distance, in the external parts of the crystals. This last point is particularly important since the enlargement of the external part of the crystals lowers the activation energy for the exchange of large cations. Thus, once started, the exchange can take place at lower pH' values. (author)

  16. Chaotic Fluid Mixing in Crystalline Sphere Arrays

    Science.gov (United States)

    Turuban, R.; Lester, D. R.; Le Borgne, T.; Méheust, Y.

    2017-12-01

    We study the Lagrangian dynamics of steady 3D Stokes flow over simple cubic (SC) and body-centered cubic (BCC) lattices of close-packed spheres, and uncover the mechanisms governing chaotic mixing. Due to the cusp-shaped sphere contacts, the topology of the skin friction field is fundamentally different to that of continuous (non-granular) media (e.g. open pore networks), with significant implications for fluid mixing. Weak symmetry breaking of the flow orientation with respect to the lattice symmetries imparts a transition from regular to strong chaotic mixing in the BCC lattice, whereas the SC lattice only exhibits weak mixing. Whilst the SC and BCC lattices share the same symmetry point group, these differences are explained in terms of their space groups, and we find that a glide symmetry of the BCC lattice generates chaotic mixing. These insight are used to develop accurate predictions of the Lyapunov exponent distribution over the parameter space of mean flow orientation, and point to a general theory of mixing and dispersion based upon the inherent symmetries of arbitrary crystalline structures.

  17. Facile "modular assembly" for fast construction of a highly oriented crystalline MOF nanofilm.

    Science.gov (United States)

    Xu, Gang; Yamada, Teppei; Otsubo, Kazuya; Sakaida, Shun; Kitagawa, Hiroshi

    2012-10-10

    The preparation of crystalline, ordered thin films of metal-organic frameworks (MOFs) will be a critical process for MOF-based nanodevices in the future. MOF thin films with perfect orientation and excellent crystallinity were formed with novel nanosheet-structured components, Cu-TCPP [TCPP = 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin], by a new "modular assembly" strategy. The modular assembly process involves two steps: a "modularization" step is used to synthesize highly crystalline "modules" with a nanosized structure that can be conveniently assembled into a thin film in the following "assembly" step. With this method, MOF thin films can easily be set up on different substrates at very high speed with controllable thickness. This new approach also enabled us to prepare highly oriented crystalline thin films of MOFs that cannot be prepared in thin-film form by traditional techniques.

  18. Quantitative determination of the crystalline phases of the ceramic materials utilizing the Rietveld method

    International Nuclear Information System (INIS)

    Kniess, C.T.; Prates, P.B.; Lima, J.C. de; Kuhnen, N.C.; Riella, H.G.; Maliska, A.M.

    2009-01-01

    Ceramic materials have properties defined by their chemical and micro-structural composition. The quantification of the crystalline phases is a fundamental stage in the determination of the structure, properties and applications of a ceramic material. Within this context, this study aims is the quantitative determination of the crystalline phases of the ceramic materials developed with addition of mineral coal bottom ash, utilizing the X ray diffraction technique, through the method proposed by Rietveld. For the formulation of the ceramic mixtures a {3,3} simplex-lattice design was used, giving ten formulations of three components (two different types of clays and coal bottom ash). The crystalline phases identified in the ceramic materials after sintering at 1150 deg C during two hours are: quartz, tridimite, mullite and hematite. The proposed methodology utilizing the Rietveld method for the quantification relating to crystalline phases of the materials was shown to be adequate and efficient. (author)

  19. 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

  20. The quest for crystalline ion beams

    CERN Document Server

    Schramm, U; Bussmann, M; Habs, D

    2002-01-01

    The phase transition of an ion beam into its crystalline state has long been expected to dramatically influence beam dynamics beyond the limitations of standard accelerator physics. Yet, although considerable improvement in beam cooling techniques has been made, strong heating mechanisms inherent to existing high-energy storage rings have prohibited the formation of the crystalline state in these machines up to now. Only recently, laser cooling of low-energy beams in the table-top rf quadrupole storage ring PAaul Laser cooLing Acceleration System (PALLAS) has lead to the experimental realization of crystalline beams. In this article, the quest for crystalline beams as well as their unique properties as experienced in PALLAS will be reviewed.